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The main challenge for solar cell devices is harvesting photons beyond the visible by reaching the red-edge (650–780 nm). Dye-sensitized solar cell (DSSC) devices combine the optical absorption and the charge separation processes by the association of a sensitizer as a light-absorbing material (dye molecules, whose absorption can be tuned and designed) with a wide band gap nanostructured semiconductor. Conformational and environmental effects (i.e., solvent, pH) can drastically influence the photophysical properties of molecular dyes. This study proposes a combined experimental and computational approach for the comprehensive investigation of the electronic and vibrational properties of a unique class of organic dye compounds belonging to the family of red-absorbing dyes, known as squaraines. Our focus lies on elucidating the intricate interplay between the molecular structure, vibrational dynamics, and optical properties of squaraines using state-of-the-art density functional theory calculations and spectroscopic techniques. Through systematic vibrational and optical analyses, we show that (i) the main absorption peak in the visible range is influenced by the conformational and protonation equilibria, (ii) the solvent polarity tunes the position of the UV–vis absorption, and (iii) the vibrational spectroscopy techniques (infrared and Raman) can be used as informative tools to distinguish between different conformations and protonation states. This comprehensive understanding offers valuable insights into the design and optimization of squaraine-based DSSCs for enhanced solar energy conversion efficiency. [ABSTRACT FROM AUTHOR]

Photoinduced symmetry-breaking charge separation (SB-CS) has been extensively observed in various oligomers and aggregates, which holds great potential for robust artificial solar energy conversion systems. It attaches great importance to the precise manipulation of interchromophore electronic coupling in realizing efficient SB-CS. The emerging studies on SB-CS suggested that it could be realized in null-excitonic aggregates, and a long-lived SB-CS state was observed, which offers an advanced platform and has gathered immense attention in the SB-CS field. Here, we unveiled the null-exciton coupling induced ultrafast SB-CS in a rigid polycyclic aromatic hydrocarbon framework, triperyleno[3,3,3]propellane triimides (TPPTI), in which three chromophores were attached through a nonconjugated bridge. Through a combination of theoretical calculations and steady-state absorption results, we demonstrated that this nonconjugated TPPTI possesses negligible exciton coupling. Increased solvent polarity was found to significantly enhance state mixing between local excited and charge transfer states. Using transient absorption spectroscopy, ultrafast SB-CS was observed in highly polar dimethylformamide, facilitated by a selective hole-transfer coupling and a favorable charge separation free energy (ΔGCS). Additionally, the rate ratio between SB-CS and charge recombination was at least high to 1800 in dimethylformamide. This investigation provides profound insights into the role of null-exciton coupling in dominating ultrafast SB-CS in multichromophoric systems. [ABSTRACT FROM AUTHOR]

In recent years, the exploration of solar absorbers has grown in favor due to the scarcity of energy. Here, we propose an absorber with an array of a circular ring surrounding disk (RSD) for solar energy capture. The novel structure keeps above 93.5% absorption with an average absorption of 96.95% in wavelengths from 300 to 4000 nm. Meanwhile, the proposed absorber is advantageous in that the structure is generalizable to other metals and dielectric materials. Furthermore, the data results show that the absorber has polarization-independent properties as well as maintaining >90% absorption in the considered wavelength range up to an incidence angle of 52° and >95% absorption at large process tolerances. Finally, the excellent absorption under the AM1.5 solar spectrum demonstrates the RSD absorber's ability to capture solar energy. These results show the potential of the absorber for applications in electromagnetic invisibility cloaking, thermal emitters, and solar energy capture and conversion. [ABSTRACT FROM AUTHOR]

The mesmerizing physical properties of two-dimensional (2D) nanomaterials have resulted in their enormous potential for high-power solar energy conversion and long-term stability devices. The present work systematically investigated the fundamental properties of monolayered 2D group-IV–V materials using a combined approach of first-principles calculations and Boltzmann transport theory, specifically the thermoelectric and optical properties, for the first time. The structural and lattice dynamics analysis disclosed the energetic, dynamical, and mechanical stabilities of 17 out of 25 considered materials. The electronic properties' calculation shows that all the stable materials exhibit a semiconducting nature. Additionally, the energy–momentum relation in a few systems reveals the quartic Mexican-hat-like dispersion in their valence band edges. Owing to the larger depth of Mexican-hat dispersion and the larger height of density step function modes, the hole carrier mobilities of SnN (761.43 m2/Vs), GeN (422.80 m2/Vs), and SiN (108.90 m2/Vs) materials were found to be significantly higher than their electron mobilities at room temperature. The achieved high Seebeck coefficient and electrical conductivity at room temperature result in excellent thermoelectric power factors for GeN (3190 mW/mK2), SiN (1473 mW/mK2), and CAs (774 mW/mK2) materials, manifesting their potential for thermoelectric devices. Further, the calculated optical and solar parameters demonstrate an exceptionally high value (27.25%) of theoretical limits of power conversion efficiency for the SnBi material, making it a suitable candidate as a light-absorbing material in solar cell devices. The present theoretical work filters out the potential 2D group-IV–V materials for solar and heat energy-harvesting devices. [ABSTRACT FROM AUTHOR]

Efficient absorption of solar radiation holds the key to photothermal utilization; however, realizing solar absorber designs with high absorption efficiency remains challenging. Herein, a nickel-based metamaterial selective solar absorber with a nanopillar array structure was proposed to realize nearly perfect optical absorption over a broad spectrum. The average absorbance is up to 96% in the 300–2033 nm wavelength range. Notably, a reasonably detailed analysis of the physical mechanism of the proposed absorber was performed in this paper, attributing the exceptional broadband absorption to the concurrent interaction with surface plasmon resonance, quarter-wavelength resonance, and electric dipole resonance. The absorption efficiency declines significantly when λ > 2.5 μm, with only 20% absorptivity at λ = 6 μm in the radiation-absorbing transition region. This decline is desirable, as it contributes to reducing the emissivity in the mid-infrared range and, therefore, prevents self-radiation. The results demonstrate that the selective absorber possesses the potential to capture solar energy within a broadband, while avoiding undesirable self-radiation, thereby enhancing the integral efficiency of the solar energy conversion system. Moreover, the absorption spectrum shows insensitivity to polarization and angle of incidence. The selective solar absorber proposed here offers excellent performance with a simple structure, showing great promise in the field of photothermal conversion. [ABSTRACT FROM AUTHOR]

Colloidal quantum confined semiconductor-metal heterostructures are promising candidates for solar energy conversion because their light absorbing semiconductor and catalytic components can be independently tuned and optimized. Although the light-to-hydrogen efficiencies of such systems have shown interesting dependences on the morphologies of the semiconductor and metal domains, the mechanisms of such dependences are poorly understood. Here, we use Pt tipped 0D CdS quantum dots (with ∼4.6 nm diameter) and 1D CdS nanorods (of ∼13.8, 27.8, 66.6, and 88.9 nm average rod lengths) as a model system to study the distance-dependence of charge separation and charge recombination times and their impacts on photo-driven H2 production. The H2 generation quantum efficiency increases from 0.2% ± 0.0% in quantum dots to 28.9% ± 0.4% at a rod length of 28 nm and shows negligible changes at longer rod lengths. The half-life time of electron transfer from CdS to Pt increases monotonically with rod length, from 0.7 ± 0.1 in quantum dots to 170.2 ± 29.5 ps in the longest rods, corresponding to a slight decrease in electron transfer quantum efficiency from 92% to 81%. The amplitude-weighted average lifetime of charge recombination of the electron in Pt with the hole in CdS increases from 4.7 ± 0.4 µs in quantum dots to 149 ± 34 µs in 28 nm nanorods, and the lifetime does not increase further in longer rods, resembling the trend in the observed H2 generation quantum efficiency. Our result suggests that the competition of the charge recombination process with the hole removal by the sacrificial electron donor plays a dominant role in the observed nanorod length dependent overall light driven H2 generation quantum efficiency. [ABSTRACT FROM AUTHOR]

Herein, we report the impact of external perturbation on the photocatalytic performance of g-C 3 N 4 /CoN 4 heterojunction and concomitant transition from type-I to type-II. The state-of-the-art theoretical modeling presented here is the first study on dynamic role of strain and electric field on g-C 3 N 4 /CoN 4 heterojunction and its potential application as a solar-driven water splitting reaction. Utilizing the density functional theory (DFT) calculation, V. N. et al. recently reported the photocatalytic activity of g-C 3 N 4 /MN 4 (M = Mn, Fe and Co) heterojunction [J. Comput. Chem. 2024 , 45 , 2518-2529, https://doi.org/10.1002/jcc.2746412 ] and subsequently established g-C 3 N 4 /CoN 4 as a type I heterojunction for photocatalytic water splitting reaction [Phys. Chem. Chem. Phys. 2024 , 26 , 21117–21133]. In the present study, we applied external perturbation in the form of mechanical strain, electric field and evaluated the electronic structure properties of the system along with the detailed examination of concomitant optical and magnetic properties of g-C 3 N 4 /CoN 4 heterojunction. The switching of photocatalytic feature from type I to type II originates due to the crossover between valence band maxima (VBM) of g-C 3 N 4 and CoN 4 in presence of external perturbation. Notably, the resulting system acts as a type II photocatalyst for water splitting reaction while applying compressive (negative) strain of −2 to −6% and an electric field of −0.5 and +0.5 V/Å, respectively. Accumulation of photogenerated electrons and holes separately in g-C 3 N 4 and CoN 4 units confirms the perceptible separation of charge carriers and thereby reduces the recombination compared to un-perturbed system. A red-shifted absorption maximum (689 nm), superior charge transfer (0.9e), and clear separation of photogenerated electrons and holes are the origin of enhanced photocatalytic efficiency of g-C 3 N 4 /CoN 4 heterojunction in the presence of external perturbation. We believe that our work will provide enough evidence to the experimentalists to achieve such a system in practice leading to human-friendly applications. Type II g-C 3 N 4 /CoN 4 heterostructure fabricated by an external perturbation strategy for efficient photocatalytic water splitting reaction. [Display omitted] • Density Functional Theory. • Theoretical Modelling of g-C 3 N 4 /CoN 4 heterojunction in presence of biaxial strain and electric field. • Photocatalyst for water splitting reaction. • Valence band crossover of g-C 3 N 4 and CoN 4 units. • Enhanced efficiency of solar energy conversion within the visible spectrum. [ABSTRACT FROM AUTHOR]

Developing electrode materials with improved catalytic activity is inevitable (i) to achieve efficient electro-catalytic water splitting (EWS) and (ii) to construct high performance dye sensitized solar cells (DSSCs). To this aim, Nitrogen (N)-doped carbon-wrapped bimetallic CoCu alloys (i.e, CN@CoCu) are prepared by directly annealing the Cu-loaded Zeolitic Imidazolate Framework-67 (ZIF-67) metal-organic framework (MOF) and employed as (i) working electrode in EWS and (ii) counter electrode (CE) in DSSCs. The ZIF-67 MOF acts as a self-sacrificing template for the formation of CN@CoCu electrodes, whose electro-catalytic activity can be optimized by tuning the Co/Cu molar ratio (Cu = 0, 5%, 10%, 15% and 20%). The addition of 15% of Cu into the ZIF-67 (i.e., CN@CoCu-15), as the working electrode in water splitting has achieved lowest overpotential values of 91 and 256 mV towards hydrogen evolution reaction and oxygen evolution reaction, respectively. Also, for DSSCs applications, the same CN@CoCu-15 sample as CE displays an improved catalytic activity by 21% higher than that of conventional Pt CE towards tri-iodide redox reaction. Consequently, the CN@CoCu-15 based DSSCs device has achieved a PCE of 7.10% which is larger than that of conventional platinum CE (6.69%). The mechanism behind the improved catalytic activity is attributed to the significant reduction in the work function of CN@CoCu-15 (4.82 eV) compared to CN@Co (5.2 eV), as evidenced from Kelvin Probe Force Microscopic analysis. These findings proposed an efficient bifunctional electro-catalytic material with improved water-splitting performance and solar energy conversion. [Display omitted] • Carbon-wrapped CoCu electrode is prepared for water splitting and DSSC application. • The work function of the electrocatalyst is minimum (4.87) when Co/Cu ratio is 15. • It displays excellent catalytic activity towards KOH and triiodide electrolyte. • Water splitting has been achieved at 1.53 V with prepared CN@CoCu-15. • In DSSC, a PCE of 7.10 % is achieved with prepared CN@CoCu-15 as counter electrode. [ABSTRACT FROM AUTHOR]

Directional electron flow in the photocatalyst enables efficient charge separation, which is essential for efficient photocatalysis of H2 production. Here, we report a novel class of tetracationic cyclophanes (7) incorporating bipyridine Pt(II) and selenoviologen. X‐ray single‐crystal structures reveal that 7 not only fixes the distances and spatial positions between its individual units but also exhibits a box‐like rigid electron‐deficient cavity. Moreover, host–guest recognition phenomena are observed between 7 and ferrocene, forming host–guest complexes with a 1 : 1 stoichiometry. 7 exhibits good redox properties, narrow energy gaps, and strong absorption in the visible range (370–500 nm) due to containing two selenoviologen (SeV2+) units. Meanwhile, the femtosecond transient absorption (fs‐TA) reveals that 7 has stabilized dicationic biradical, efficient charge separation, and facilitates directional electron flow to achieve efficient electron transfer due to the formation of rigid cyclophane and electronic architecture. Then, 7 is applied to visible‐light‐driven hydrogen evolution with high hydrogen production (132 μmol), generation rate (11 μmol/h), turnover number (221), and apparent quantum yield (1.7 %), which provides a simplified and efficient photocatalytic strategy for solar energy conversion. [ABSTRACT FROM AUTHOR]

Titanium dioxide (TiO2) has long been receiving attention as a promising material for enhancing the performance of photovoltaic devices due to its tunable optoelectronic properties. This paper reviews the utilization of TiO2 in recent photovoltaic applications, focusing primarily on its role as an optical material. The fundamental properties of TiO2 are reviewed, such as its wide bandgap and unique property of tunable refractive index. Furthermore, various strategies are discussed to harness the fundamental properties of TiO2 to improve light absorption and charge carrier generation within various photovoltaic devices. Overall, the pivotal role of TiO2 as an Earth‐abundant and non‐critical optical material is highlighted for future advances in the power conversion efficiency and viability of photovoltaic technologies, paving the way for future research and developments aimed at achieving sustainable and cost‐effective solar energy conversion. [ABSTRACT FROM AUTHOR]

BiVO4 faces significant challenges for widespread application in photoelectrochemical (PEC) water oxidation due to its poor hole transport ability, high surface defect density, and sluggish water oxidation reaction kinetics. Employing interfacial engineering to assist in energy level modulation is an effective strategy to address these challenges. Herein, a CuCrO2 hole transport layer (HTL) is coupled and further grew NiCo‐MOF in situ to prepare a NiCo‐MOF‐CuCrO2‐BiVO4 composite photoanode. The novel composite photoanode not only achieves a photocurrent density of 5.75 mA cm−2 at 1.23 V versus a reversible hydrogen electrode (vs RHE) but also maintains stable operation for over 24 h. Comprehensive physicochemical characterization and density‐functional theory calculations confirm that the built‐in electric field generated by the p–n heterojunction formed between the CuCrO2 HTL and BiVO4 photoanode enhances the hole transport ability. Moreover, the NiCo‐MOF chelated on the photoanode surface not only passivates the surface defect states but also accelerates the kinetics of the water oxidation reaction. Under the synergistic effect of dual modification, the PEC water oxidation performance of the BiVO4 photoanode is dramatically improved. This pioneering work presents a MOF/HTL/BiVO4 configuration that provides a blueprint for the future development of integrated photoanodes for efficient solar energy conversion. [ABSTRACT FROM AUTHOR]

Visible‐light excitation of a family of bimetallic ruthenium polypyridines with the formula [RuII(tpy)(bpy)(‐CN)RuII(py)4L]n+ (RuRuLn+), where L=Cl−, NCS−, DMAP and ACN, was used to prepare photoinduced mixed‐valence (PI‐MV) MLCT states as models of the photosynthetic reaction center. Ultrafast transient absorption spectroscopy allowed to monitor photoinduced IVCT bands between 6000 and 11000 cm−1. Mulliken spin densities resulting from DFT and (TD)DFT computations revealed the modulation of the charge density distribution depending on the ligand substitution pattern. Results are consistent with PI‐MV systems ranging from non‐degenerate Class II to degenerate Class III or II/III, with electronic couplings between 1000 and 3500 cm−1. These findings guide the control electron localization‐delocalization in charge‐transfer/charge‐separated excited states, like those involved in the photosynthetic reaction center. [ABSTRACT FROM AUTHOR]

Geometries and electronic properties associated with relative stabilities and energy gaps of porous (InP)12n (n = 1–12) nanoclusters (NCs) (nanowires and nanosheets) are systemically studied by density functional method. The relative stabilities of (InP)12n NCs through the calculated fragmentation energies and cluster‐binding energies are determined and discussed. Interestingly, the calculated energy gaps of (InP)12n nanowires and nanosheets are localized at regions of visible light energy ranges. (InP)12n are relatively wide‐band semiconductor solar energy nanomaterial. The calculated density of states reveals large‐sized porous (InP)12n nanosheets and nanowires with narrow pore size distribution and slight thickness and a large surface area manifest ultrahigh specific capacitance of trapping solar light energies and high light‐to‐electricity conversion efficiencies in solar energy absorption or conversion or photovoltaicsm. Particularly, (InP)12n NCs maintain their elemental properties of individual (InP)12 clusters in the energy gaps of (InP)12n (n > 4). NCs are almost independent of variable sizes. Specifically, the size‐dependent charge transfers of In atoms in (InP)12n NCs exhibit that ionic and covalent bonding exist in (InP)12n NCs and can stabilize (InP)12n NCs. Comparison with experiment results available is made. [ABSTRACT FROM AUTHOR]

Constructing an internal electric field (IEF) within the hematite (Fe2O3) photoanode for highly efficient water oxidation performance with facilitated charge transfer and separation remains still a significant challenge. Unlike the conventional approach of creating interfacial electric fields through heterojunction design by introducing another semiconductor, a novel strategy is proposed for engineering localized n‐p homojunctions on the surface of Fe2O3 photoanode using gradient Zn2+ doping strategy. By implementing this approach, the inherent n‐type characteristics of Fe2O3 can be transformed into p‐type, thereby facilitating the formation of an n‐p junction with robust IEF, which enables more efficient charge separation and transfer. Additionally, the gradient Zn2+ doping is accompanied by the generation of oxygen vacancies, which further improves the charge transfer efficiency and accelerates water oxidation kinetics. As expected, the photocurrent density of optimized Fe2O3 photoanode at 1.23 V versus reversible hydrogen electrode is ≈2.6‐fold that of Fe2O3. This work provides a novel perspective on the design of localized n‐p homojunction within photoanodes for achieving high solar energy conversion efficiency. [ABSTRACT FROM AUTHOR]

To alleviate resource shortage and environmental pollution, solar energy can be converted into thermal energy stored in phase change materials and in turn generate electrical energy. To enhance the solar energy utilization efficiency of solar‐thermal‐electrical conversion devices and prevent the heat loss to the environment at night, an intelligent solar‐responsive phase‐change system is innovatively designed consisting of a graphene aerogel film/paraffin wax stamen with an ultra‐high thermal conductivity of 46.7 W m−1 K−1, and thermally preserving aerogel film/liquid crystal elastomer bilayer petals that can bend solar‐responsively by the synergistic effect of solar‐thermal energy conversion and heat‐induced contraction. The solar‐responsive phase‐change system achieves daytime blooming for solar‐thermal conversion with simultaneous energy storage and nighttime closing for minimizing heat loss to the environment, exhibiting a high solar‐thermal conversion and energy storage efficiency of 89.4% and delaying its temperature drop by the thermal preservation effect of the petals. The assembled solar‐responsive solar‐thermal‐electric generator can reach an output voltage of 1033.8 mV at a light intensity of 500 mW cm−2 and continue to generate electrical energy during nighttime, holding tremendous promise in efficient solar energy conversion, storage, and utilization. [ABSTRACT FROM AUTHOR]

Silver nanoparticles modified copper oxide nanocomposite thin films (Ag‐CuO NC TFs) and pristine CuO TF were successfully synthesized on copper substrates using a chemical oxidation route. X‐ray diffractometry (XRD) characterization of Ag‐CuO NC TFs revealed the formation of monoclinic crystal structured CuO. Scanning electron microscopy (SEM) images showed a star‐like grain morphology of the Ag‐CuO NC TFs. Energy dispersive X‐ray spectroscopy (EDX) analysis ascertained the presence of anticipated elements without impurities. Fourier transform infrared spectroscopy (FTIR) investigation confirmed the presence of Ag NPs on CuO in the Ag‐CuO NC TFs. Raman spectroscopy examination indicated the presence of a spinel structure with vibrational and tetrahedral sites. UV‐Vis‐NIR reflectance analysis demonstrated that Ag‐CuO NC TFs with 2.0 wt.% Ag NPs exhibited solar absorptance of 72.39 %, thermal emittance of 4.3 %, and a highest solar selectivity of 16.83 among the prepared thin films. These results suggest that the Ag‐CuO NC TFs could be promising candidates for use as solar selective absorbers in solar thermal energy conversion devices. [ABSTRACT FROM AUTHOR]

Ambient sunlight‐driven photothermal green syngas production via reverse water‐gas shift (RWGS) reaction is important for carbon neutrality, which lacks efficient and inexpensive catalysts at low temperatures. This studydemonstrates that the scalable Fe3O4 supported with K atoms modified Ag nanoparticles (AgK/Fe3O4) exhibits a RWGS CO production rate of 1089 mmol g−1 h−1 at 300 °C and 100% CO selectivity through dynamic structural reconstruction, surpassing all reported platinum‐based catalysts. In situ characterization and theoretical simulation indicate that the AgK nanoparticles activate H2 to reduce Fe3O4 as metallic Fe. Subsequently, the metallic Fe spontaneously reacts with CO2 to form CO and Fe3O4, thereby facilitating low‐temperature RWGS. Owing to its superior low‐temperature performance, AgK/Fe3O4 equipped with a homemade photothermal device achieves one sun‐driven photothermal RWGS with a CO production rate of 1925 mmol g−1 h−1 and a 38.7% solar to enthalpy energy conversion efficiency. Furthermore, the enlarged outdoor demonstration yields 100.6 m3day−1 of green syngas with an H2/CO ratio of 3. This work paves the way for designing efficient platinum‐free CO2 hydrogenation catalysts and introduces a new approach for sunlight‐driven scalable green syngas production. [ABSTRACT FROM AUTHOR]

This scientific paper presents a novel approach to explore and predict the potential of imidazole-based organic dyes for use in Dye-Sensitized Solar Cells (DSSCs) using a machine learning web application. The design of efficient and cost-effective organic dyes is critical to enhance the performance of DSSCs. Traditional experimental methods are time-consuming and resource-intensive, making it challenging to screen a large number of potential dyes. In this study, we propose a machine learning-based approach to accelerate the discovery process by predicting the photovoltaic performance of imidazole-based organic dyes. Machin learning predictions provide valuable insights into the expected PCE% and behaviors of the molecules toward DSSCs. Based on the RDKit library, several fingerprints such as Molecular ACCess System, Avalon, Daylight, Pharmacophore and Morgan with different radius (r2, r3, r4), were studied. In addition, more than 20 ML algorithms using different cross validation (3, 5, 7, 10) were also evaluated. Among of these, Deep Neural Network models of MLPRegressor algorithm based on the daylight fingerprint shows a significant coefficient of determination combined with the lowest errors. Utilize the trained ML models to screen of 50 million SMILE structure for identify promising imidazole and nitrogen-containing derivative as a doner group. By replacing the donor groups in the well-known MK2 dye structure with the top imidazole derivatives proposed by machine learning, significant improvements in PCE were observed, increasing from 7.70% to as high as 11.49%, representing nearly a 50% enhancement over the control. DFT calculations confirm the ML predictions and clarify the significantly higher oscillator strength and charge transfer properties of MK2-DM1, compared to MK2. This result provides a promising pathway for developing new dye materials that can push the efficiency limits of DSSCs, leading to more efficient solar energy conversion technologies in the future. In addition, a developed web application offers a user-friendly interface for researchers to input their molecular structures and obtain PCE% predictions toward DSSCs. This information can guide researchers in designing a new imidazole dye with high photovoltaic performance to validate and refine the predictions without time consuming. [ABSTRACT FROM AUTHOR]

The power conversion efficiency (PCE) of dye-sensitised solar cells (DSSCs) measures their solar energy conversion performance. With PCEs below 15%, significant energy loss occurs, leading researchers to seek improvements to reduce fossil fuel dependence and enhance DSSCs as an alternative energy source. However, predicting PCE theoretically is challenging due to its dependence on various parameters. In this work, the improved normal model was used to predict the PCE accurately using DFT and TD-DFT of four nanocomposites consisting of catechin natural compound attached to carboxylated graphene quantum dots (GQD) that have been further doped at the centre/edge and decorated with a boronic group. The nanocomposites have been adsorbed on a TiO2 cluster for PCE estimation. This is the first attempt of using decorated GQD with boronic groups in a DSSC and estimating its PCE. The results show that the PCE of catechin improved from 0.077% to the range of 3.96% – 12.61% (B1-CG-C@TiO2 – B2-CG-C@TiO2). This was due to the improved short-circuit current density ($J_{sc}$ J sc ) and fill factor (FF) of all the nanocomposites and the improved open-circuit voltage ($V_{oc}$ V oc ) of all nanocomposites except B1-CG-C@TiO2 in comparison to catechin. This means all the designed nanocomposites are more promising candidates than catechin. Highlights: Adsorption at carboxyl group is the most stable site among hydroxyl and GQD base. The improved normal model gives accurate $V_{oc}$ V oc results. All designed nanocomposites exhibited higher PCEs than isolated catechin. Edged doping exhibited the highest $V_{oc}$ V oc , high $J_{sc}$ J sc , and highest PCE of 12.61%. [ABSTRACT FROM AUTHOR]

In recent years, there is a growing interest in the development of sustainable sensitizers for the dye-sensitized solar cell (DSSC) applications. The earth-abundant transition metal complexes offer a potential alternative option to the problematic ruthenium-based dyes, owing to their interesting photophysical properties and eco-friendly nature. This review accounts in detail the development of sustainable late transition metal-sensitizers in the DSSCs. Attempts are made to comprehensively describe the various strategies involved in the molecular design of the potential dye-molecules as well as the methodologies involved in the cell-fabrication. We hope that this review will serve as a promptuary to the researchers and inspire further developments in this field. [ABSTRACT FROM AUTHOR]

This study presents the green synthesis of copper-doped zinc oxide (Cu-doped ZnO) nanoparticles using tobacco stem (TS) extract. The environmentally friendly synthesis method ensures distinct features, high efficiency, and applicability in various fields, particularly in solar cell technology and photocatalytic applications. ZnO nanostructures are investigated due to their unique properties, cost-effectiveness, and broad range of applications. The nanoparticles are synthesized with varying Cu concentrations, and their structural, morphological, and compositional characteristics are thoroughly analyzed. The Cu-doped ZnO nanoparticles exhibit improved properties, such as increased surface area and reduced particle size, attributed to the incorporation of Cu dopants. The green synthesis approach using TS extract serves as a stabilizing agent and avoids the toxicity associated with chemical methods. Characterization techniques including SEM, TEM, EDX, FTIR, and XRD confirm the successful synthesis of the nanoparticles. Photocatalytic degradation studies reveal that the 5% Cu-doped ZnO exhibits the highest photocatalytic activity against methylene blue, attributed to synergistic effects between Cu and ZnO, including oxygen vacancy and electron–hole pair recombination rate suppression. The photocatalytic mechanism involves the generation of superoxide and hydroxyl radicals, leading to methylene blue degradation. Furthermore, the Cu-doped ZnO nanoparticles demonstrate promising photovoltaic performance, with the optimal efficiency observed at a 5% Cu concentration. The study suggests that Cu-doped ZnO has the potential to enhance solar cell efficiency and could serve as an alternative material in solar cell applications. Future research should focus on refining Cu-doped ZnO for further improvements in solar energy conversion efficiency Novelty statement: The successful synthesis of Cu-doped ZnO nanoparticles from tobacco stem extract suggests an environmentally friendly approach. The photocatalytic degradation studies demonstrate the superior activity of 5% Cu-doped ZnO against methylene blue, attributed to synergistic effects between Cu and ZnO. Cu-doped ZnO has the potential to significantly enhance solar cell efficiency. The demonstrated photocatalytic and photovoltaic activities of Cu-doped ZnO open avenues for further research in optimizing their performance for practical applications in solar energy technologies and sustainable energy production. [ABSTRACT FROM AUTHOR]

The present paper contains the preparation of QDs sensitized on TiO2 thin film as a photoanode for solar cell applications. The photoanode is developed by copper sulfide quantum dots (CuS QDs) on TiO2 thin films using the successive ionic layer adsorption and reaction (SILAR). CuS QDs act as sensitizer because of its strong visible light absorption. Fabrication process comprises sensitizing CuS QDs on the surface of TiO2 thin films controlled by 5 and 10 SILAR cycles. XRD study indicates the crystallite size of TiO2/CuS QDs thin films is 11.6 and 13.7 nm for 5 and 10 cycles (cys), respectively. The outcome of UV-DRS and photoluminescence indicates the enhanced light absorption, reduction in bandgap and suppression of electron–hole pair recombination. The HR-TEM image revealed that the diameter of the TiO2 is 10 nm and surroundings core-like CuS particles are observed. The TiO2/CuS QDs (10 cys) configuration showed a better photoelectrochemical efficiency of 2.55% at 30 mW cm−2 light intensity. [ABSTRACT FROM AUTHOR]

The performance of dye-sensitized solar cells (DSSC) primarily depends upon many factors, such as the thickness of the semiconductor layer at the working electrode, dye/sensitizer concentration, and electrolyte. A methodical study is required in one place to deliberate the impact of all these factors on DSSC performance for better understanding and further advancement of the technology. This work emphasizes optimizing the absorption layer, specifically investigating the relationship between the thickness of the TiO2 layer and the concentration of N719 dye. The objective is to elucidate the interconnected effects of these parameters on the overall performance of the device. Additionally, the optimization of electrolyte composition was done with varying concentrations of additives, such as iodine, 4-tert-butyl-pyridine (TBP), guanidinium thiocyanate (GuNCS), and 1-butyl-3-methylimidazolium iodide (BMII) of electrolyte. Initially, the devices with varying TiO2 absorption layers were fabricated. The efficiency, fill factor (FF), open-circuit voltage (VOC), and short-circuit current (ISC) of devices were studied. The drop in open-circuit voltage (VOC) was noticed with the increase in thickness of the TiO2 layer. The highest efficiency was observed at 7.17% with the device fabricated using 6 absorption layer (17.46 μm) of TiO2, 0.7 mM concentration of N719 dye, and 0.03-M iodine, 0.1-M GuNCS, 0.5-M TBP, and 0.6-M BMII in electrolyte. Future developments in this research could focus on further fine-tuning these parameters for improved efficiency and exploring additional innovations in DSSC technology, ultimately contributing to the advancement of sustainable and efficient solar energy conversion systems. [ABSTRACT FROM AUTHOR]

Addressing the imperative need for advancements in thermoelectric generation, this study pioneers an analysis of nanofluid-cooled solar segmented thermoelectric generators with non-uniform cross-sections. Insights into thermal management, structural integrity, and economic efficiency in thermoelectric systems are provided, employing a numerical model that accurately represents thermoelectric effects by accounting for temperature dependencies of semiconductor materials. Through research, exploration of diverse coolant strategies, including TiO 2 , Fe 3 O 4 , Al 2 O 3 , and graphene, offers key insights into their impact on cooling dynamics. Findings demonstrate that graphene nanofluid, operating at a flow velocity of 2 m/s, outperforms others, achieving optimal power generation of 221.77 mW and an exergy efficiency of 8.99 %. Additionally, at a concentrated irradiance of 595 kWm−2, graphene leads in environmental benefits, with the highest CO 2 savings of 0.38 kgyr−1, and demonstrates economic advantages with a cost-effective dollar per mW value of 3.79×10−6 $mW−1. Furthermore, the study verifies the structural integrity of these systems, with graphene achieving an optimal von Mises stress of 1.35 GPa at a semiconductor height of 0.2 mm. These advancements contribute to environmentally friendly and high-performance generators for sustainable energy solutions, paving the way for future innovations in thermoelectric technology. • Graphene nanofluid yields 221.77 mW power and 8.99 % exergy efficiency at 2 m/s. • At 595 kWm−2, graphene saves highest CO 2 of 0.38 kgyr−1. • Optimal von Mises stress of 1.35 GPa at 0.2 mm leg height • Minimized cost of electric power is 3.79×10−6 $mW−1. • Non-uniform TEGs assessed for sustainable, efficient energy practices. [ABSTRACT FROM AUTHOR]

We report the synthesis of phosphorus (P)-doped reduced graphene oxide (P-rGO) using a hydrothermal method at 180°C for 7 h. Furthermore, the amorphous nature and phase purity of the hydrothermally synthesized P-rGO was studied by powder x-ray diffraction. The characteristic sheet-like surface structure of the P-rGO was confirmed by scanning electron microscopy. The presence of P in the P-rGO was authenticated by using energy-dispersive x-ray spectroscopy and photoelectron x-ray spectroscopy. The synthesized P-rGO was employed as a low-cost and Pt-free counter electrode material for the construction of dye-sensitized solar cells (DSSCs). The effect of annealing temperature on the construction of the DSSCs using P-rGO was also studied, and the highest power conversion efficiency of 6.3% and photocurrent density of 15.37 mA/cm2 were obtained at 200°C. The platinum counter electrode-based DSSCs exhibited the power conversion efficiency of 7.4%. The performance of the P-rGO counter electrode-based DSSCs was reasonable and can be further improved by developing novel device architectures. This work proposes the simple, eco-friendly, and Pt-free counter electrode for the construction of DSSCs with a decent performance. [ABSTRACT FROM AUTHOR]

Photo-assisted energy storage systems, by which solar energy can be both converted and stored, have been of interest in the past few years. Novel energy conversion and storage technology is offered by photo-supercapacitors through the combination of an energy collecting unit and a supercapacitor. This dual-application system effectively generates and stores power in a single device, which makes it appropriate for various purposes. In this work, the electrochemical anodization-electrodeposition has been employed to fabricate manganese-nickel sulfide (Mn–Ni–S) nanostructures on titania nanotubes (TNs) and used them as photoelectrodes in photo-supercapacitors. The high surface area and improved properties make TNs considerably important for energy production and storage. Photoelectrochemical analysis was carried out in a three-electrode system under a xenon (Xe) lamp irradiation using the film prepared as the photoelectrode. The highest photocurrent and photovoltage were shown by MnNiS-3/TN electrode, indicating its superior photosensitivity. Upon illumination under a 0.7 mA/cm2 current density, the area-specific capacitance of MnNiS-3/TN electrode increased from 388.3 to 723.3 mF/cm2, which is 2.0, 3.6, and 12.8 times higher than the corresponding values for NiS/TN, MnS/TN, and bare TN electrodes under similar conditions, respectively. This indicates the considerable enhancement of the capacitance of this electrode induced by light. The desirable light-sensitive properties of MnNiS/TN make it capable of simultaneous solar energy harvesting and storage. Light sensitivity makes it possible to charge MnNiS/TN optically. More importantly, upon light irradiation, the capacity can be increased from 374.7 to 630.2 mF/cm2 (current density 0.5 mA/cm2) compared to the corresponding value in the dark. Using MnNiS-3/TN as the best photoelectrode and MnS/FTO, NiS/FTO, MnNiS-1/FTO, MnNiS-2/FTO, and MnNiS-3/FTO as the counter electrodes, photo-charged through light illumination on their surfaces, five asymmetric solid-state photo-supercapacitors (ASSPS) were prepared. MnNiS-3/TN//MnNiS-3/FTO device showed the largest CV curve area, which indicated its highest areal capacitance. High capacitance gain under irradiation (155.7% at 2.0 mA/cm2) and outstanding capacitance maintenance (97.9% over 10000 cycles) were shown by this ASSPS. Furthermore, a great energy density of 4855.4 mWh/cm2 was shown by the MnNiS-3/TN//MnNiS-3/FTO device under light irradiation. This research introduces a novel approach to the development of powerful solar energy conversion/storage devices. [Display omitted] • Mn–Ni sulfides with various Mn/Ni ratios have been grown on titania by co-electrodeposition. • The highest photocurrent and photovoltage were shown by MnNiS-3/TN. • Upon illumination, the area-specific capacitance of MnNiS-3/TN electrode increased from 388.3 to 723.3 mF/cm2. • Using MnNiS-3/TN as the best photoelectrode, five asymmetric solid-state photo-supercapacitors (ASSPS) were prepared. • High capacitance gain under irradiation (155.7% at 2.0 mA/cm2) and outstanding capacitance maintenance (97.9% over 10000 cycles) were shown by this ASSPS. [ABSTRACT FROM AUTHOR]

An all‐flexible self‐powering unit, combining a flexible perovskite solar mini‐module for energy conversion and ultra‐flexible screen‐printed interdigitated carbon supercapacitors on paper for energy storage, is designed and developed. Through a hybrid bifurcated structure, the supercapacitors are connected in series and neatly layered on a paper substrate with the perovskite solar mini‐module strategically placed on top for seamless integration. The photosupercapacitor quickly reaches saturated voltage under various light intensities (1 sun, 1000 lx, 500 lx, and 200 lx) and displays a self‐discharge time of over 2 minutes. It delivers peak overall and storage efficiencies of 2.8% and 23%, respectively, and exhibits an extensive potential window of 3.8 V, making it a prominent choice for real time applications in electronic systems. In a nutshell, the inherent flexibility of both the solar module and the storage system, coupled with the space‐saving design, and the extensive potential window of the hybrid photosupercapacitor paves the way for implementation in portable and wearable electronics operating in indoor environments, ushering a new era of more versatile and adaptable energy solutions. [ABSTRACT FROM AUTHOR]

Bulk photovoltaic effect, i.e. shift current, is a nonlinear second‐order optical response that can rectify an alternating current (AC) electric field into a direct current (DC). Depending on the wavelength of the incident light, shift current finds applications in various fields, including solar energy conversion and radiation detection. Its promising application in energy conversion and information processing has inspired investigations to uncover the relationship between shift current and electronic structures of materials. Despite numerous efforts dedicated to designing principles for strong bulk photovoltaic effect materials, the only widely accepted crucial parameter is the joint density of states (JDOS). In this study, employing effective model analysis and first‐principles calculations, an enhancement effect of bulk photovoltaic effect is found to arise from band hybridization that is typically along with anti‐crossing‐like electronic band structures, similar to the Berry curvature effects in intrinsic anomalous Hall conductivity. While this mechanism does not offer a comprehensive understanding of the relationship between electronic structure and the magnitude of bulk photovoltaic effect, it represents practical progress in the design of materials with strong bulk photovoltaic effect. [ABSTRACT FROM AUTHOR]

A strong driving force for charge separation and transfer in semiconductors is essential for designing effective photoelectrodes for solar energy conversion. While defect engineering and polarization alignment can enhance this process, their potential interference within a photoelectrode remains unclear. Here we show that oxygen vacancies in bismuth vanadate (BiVO4) can create defect dipoles due to a disruption of symmetry. The modified photoelectrodes exhibit a strong correlation between charge separation and transfer capability and external electrical poling, which is not seen in unmodified samples. Applying poling at −150 Volt boosts charge separation and transfer efficiency to over 90%. A photocurrent density of 6.3 mA cm−2 is achieved on the photoelectrode after loading with a nickel-iron oxide-based cocatalyst. Furthermore, using generated holes for methane partial oxidation can produce methanol with a Faradaic efficiency of approximately 6%. These findings provide valuable insights into the photoelectrocatalytic conversion of greenhouse gases into valuable chemical products. The design of effective photoelectrodes for solar energy conversion relies on optimizing charge separation and transfer, which remain a challenge. In this study, the authors demonstrate that an external poling treatment can create a built-in electric field in bismuth vanadate photoelectrodes, thereby facilitating efficient charge transport for water oxidation and methane conversion. [ABSTRACT FROM AUTHOR]

Ions in seawater hinder direct sewage electrolysis due to the extreme corrosion of Cl− to the anode and reaction of Mg2+ and Ca2+ on the cathode producing solid substances, which reduce the electrolytic efficiency. However, traditional desalination consuming fossil fuel with massive CO2 emissions threatens human survival. Therefore, zero‐carbon emission, ultra‐durable, large‐scale production of freshwater from seawater for water electrolysis is urgently needed. Herein, a multifunctional system for seawater is demonstrated electrolysis based on ultra‐durable solar desalination outdoors. The solar evaporators reach an evaporation flux of 1.88 kg m−2 h−1 with a photothermal conversion efficiency of solar energy as high as 91.3% with excellent ultra‐durable salt resistance even for saturated saltwater due to the Marangoni effects. Moreover, the condensation of pure water from solar desalination based on the evaporation system reaches 0.54 L m−2 h−1 outdoors, which is suitable for a 20 cm × 20 cm engineered electrode equipped with a Janus membrane powered by a solar panel to produce H2 outdoors. The ultrafast unidirectional transport of H2 bubbles enabled by Janus membranes can greatly improve the H2 production efficiency at a rate approaching 85 mL h−1 for continuous 24 h outdoors. [ABSTRACT FROM AUTHOR]

Photosynthetic reaction center (RC) proteins are finely tuned molecular systems optimized for solar energy conversion. RCs effectively capture and convert sunlight with near unity quantum efficiency utilizing light-induced directional electron transfer through a series of molecular cofactors embedded within the protein core to generate a long-lived charge separated state with a useable electrochemical potential. Of current interest are new strategies that couple RC chemistry to the direct synthesis of energy-rich compounds. This Feature Article highlights recent work from our lab on RC and RC-inspired hybrid systems that capture the Sun's energy and convert it to chemical energy in the form of H2, a carbon-neutral energy source derived from water. Biohybrids made from the Photosystem I (PSI) RC are among the best photocatalytic H2-producing protein hybrids to date. Targeted self-assembly strategies that couple abiotic catalysts to PSI translate to catalyst incorporation at intrinsic PSI sites within thylakoid membranes to achieve complete solar water-splitting systems. RC-inspired biohybrids interface synthetic photosensitizers and molecular catalysts with small proteins to create photocatalytic systems and enable the spectroscopic discernment of the structural features and electron transfer processes that underpin solar-driven proton reduction. In total, these studies showcase the incredible scientific opportunities photosynthetic biohybrid research provides for harnessing the optimal qualities of both artificial and natural photosynthetic systems and developing materials that capture, convert, and store solar energy as a fuel. [ABSTRACT FROM AUTHOR]

The development of photocatalysts that maximize the utilization of the solar spectrum is crucial to achieving efficient photocatalysis. Herein, the synthesized W 18 O 49 @ZnIn 2 S 4 hollow hierarchical structure exhibits superior photothermal-assisted hydrogen (H 2) photocatalytic performance under full solar spectrum irradiation. Within this photocatalyst design framework, the use of hollow spherical W 18 O 49 exploits the Localized Surface Plasmon Resonance (LSPR) effect, resulting in increased light absorption. This imparts additional energy to photogenerate carriers through ZnIn 2 S 4 , expediting charge migration and elevating the temperature of the reaction system, consequently facilitating the separation of carriers. Notably, the optimized WO(16h)@ZIS-10 sample shows impressive hydrogen evolution rates of 3.11 mmol g−1 under sunlight exposure and 4.98 mmol g−1 h−1 under composite illumination of AM 1.5G and near-infrared (NIR). Additionally, the study explores the impact of different heating methods on photocatalytic activity in solid-liquid reactions, providing valuable insights into effective solar energy conversion through high-activity solar-assisted photocatalysts. The W 18 O 49 @ZnIn 2 S 4 photothermal catalysts with suitable core-shell thickness was developed, which can efficiently utilize the hot electrons from LSPR effect, thus display a superior hydrogen evolution performance with photothermal synergistic effect. [Display omitted] • Successful construction of a hollow layered structure of core-shell W 18 O 49 @ZnIn 2 S 4. • High hydrogen production activity and stability. • Good practical application prospect. [ABSTRACT FROM AUTHOR]

Integrating quantum dots (QDs) into polymer matrix to form nanocomposites without compromising the QD photoluminescence (PL) is crucial to emerging QD light‐emitting and solar energy conversion fields. However, the most widely‐used bulk polymerization technique, where monomers serve as the QD solvent, usually leads to QD PL quenching caused by radical initiators. Here we demonstrate high‐brightness nanocomposites with near‐unity PL quantum yield (QY), through a novel QDs‐catalyzed (‐initiated) bulk polymerization without using any radical initiators. Different from previous reports where QDs were designed as photo‐sensitizers/catalysts (always with cocatalysts) and hence non‐emissive in catalytic conditions, our QDs combine high brightness with highly effective catalysis, a combination that was previously considered to be hardly possible. In our case, apart from emitting light (at a large probability), the photoexcited QDs act as ‘overall reaction’ catalysts by simultaneously employing photoexcited electrons and holes to produce active radicals without the need of any sacrificial agents. These active radicals, though with a small amount, are sufficient to initiate effective chain reaction‐dominated bulk polymerization, eliminating the requirement of extra radical initiators. This study provides new insights for understanding and development of QDs for energy applications. [ABSTRACT FROM AUTHOR]

This paper delves into the indoor performance analysis of Perovskite/Silicon Tandem Solar Cells (PSSTC) through a detailed exploration utilizing numerically modeled energy band diagrams. The primary objective is to uncover the potential of PSSTC for solar energy conversion in indoor settings. Various tandem cell configurations are scrutinized under diverse artificial lighting spectra, with an innovative Li4Ti5O12/CsPbCl3/MAPbBr3/CH3NH3PbI3/Si architecture achieving an exceptional maximum power conversion efficiency of 25.25%. This represents a substantial efficiency enhancement of nearly 7% compared to standalone Silicon cells. The study underscores the significance of design optimization in maximizing performance. The energy band diagram analysis reveals a strong correlation with the I-V characteristics, providing valuable insights into solar cell performance under varied optical injections. Notably, the Xenon light source exhibits a higher deviation of the quasi-Fermi level, resulting in increased current density surpassing the AM1.5G conditions by approximately 2.5 mA/cm2. These findings underscore the promising potential of PSSTC for highly efficient indoor solar energy conversion and emphasize the critical role of design optimization in unlocking peak performance. [ABSTRACT FROM AUTHOR]

Copper oxide, Cu2O is a highly versatile product that can obtained by different techniques including high/low temperature thermal oxidation, sputtering, chemical oxidation, anodic oxidation, electrodeposition, among others. Until now, the most efficient synthetic processes to obtain Cu2O require relatively expensive equipment; therefore, we have developed a novel method based on simultaneous convergent oxidation-reduction reactions in an electrolytic cell at ambient pressure and relatively low temperature. In this work, a Cu(0) plate is oxidized to Cu(I) in the anodic compartment, while a Cu(II)- lactate complex is formed in the cathodic compartment of the cell and then Cu(II) is reduced to Cu(I), all in aqueous media. [ABSTRACT FROM AUTHOR]

Solar-driven CO2 conversion into high-value-added chemicals, powered by photovoltaics, is a promising technology for alleviating the global energy crisis and achieving carbon neutrality. However, most of these endeavors focus on CO2 electroreduction to small-molecule fuels such as CO and ethanol. In this paper, inspired by the photosynthesis of green plants and artificial photosynthesis for the electroreduction of CO2 into value-added fuel, CO2 artificial photosynthesis for the electrocarboxylation of bromobenzene (BB) with CO2 to generate the value-added carboxylation product methyl benzoate (MB) is demonstrated. Using two series-connected dye-sensitized photovoltaics and high-performance catalyst Ag electrodes, our artificial photosynthesis system achieves a 61.1% Faraday efficiency (FE) for carboxylation product MB and stability of the whole artificial photosynthesis for up to 4 h. In addition, this work provides a promising approach for the artificial photosynthesis of CO2 electrocarboxylation into high-value chemicals using renewable energy sources. [ABSTRACT FROM AUTHOR]

[Display omitted] Photoelectrochemical (PEC) water splitting is an effective and sustainable method for solar energy harvesting. However, the technology is still far away from practical application because of the high cost and low efficiency. Here, we report a low-cost, stable and high-performing industrial-Si-based photoanode (n -Indus-Si/Co -2mA-xs) that is fabricated by simple electrodeposition. Systematic characterizations such as scanning electron microscopy, X-ray photoelectron spectroscopy have been employed to characterize and understand the working mechanisms of this photoanode. The uniform and adherent dispersion of co-catalyst particles result in high built-in electric field, reduced charge transfer resistance, and abundant active sites. The core–shell structure of co-catalyst particles is formed after the activation process. The reconstructed morphology and modified chemical states of the surface co-catalyst particles improve the separation and transfer of charges, and the reaction kinetics for water oxidation greatly. Our work demonstrates that large-scale PEC water splitting can be achieved by engineering the industrial-Si-based photoelectrode, which shall guide the development of solar energy conversion in the industry. [ABSTRACT FROM AUTHOR]

Among a promising photovoltaic technology for solar energy conversion, organic solar cells (OSCs) have been paid much attention, of which the power conversion efficiencies (PCEs) have rapidly surpassed over 20%, approaching the threshold for potential applications. However, the device stability of OSCs including storage stability, photostability and thermal stability, remains to be an enormous challenge when faced with practical applications. The major causes of device instability are rooted in the poor inherent properties of light‐harvesting materials, metastable morphology, interfacial reactions and highly sensitive to external stresses. To get rid of these flaws, a comprehensive review is provided about recent strategies and methods for improving the device stability from active layers, interfacial layers, device engineering and encapsulation techniques for high‐performance OSC devices. In the end, prospectives for the next stage development of high‐performance devices with satisfactory long‐term stability are afforded for the solar community. [ABSTRACT FROM AUTHOR]

The accurate prediction of hourly global solar radiation is critical to solar energy conversion systems selecting appropriate provinces, and even future investment policies. With this viewpoint, the aim of this study is to predict one hour ahead the global solar radiation of six provinces that have different climate regions in Turkey. A deep learning technique based on the LSTM neural network is used for this purpose. To see the success of this proposed model, the deep learning technique GRU, a machine-learning approach ANFIS with FCM, and standard statistical models ARMA, ARIMA, and, SARIMA are also applied. Forecasting models developed to estimate the future values of hourly global solar radiation are based on past time series data. The study discusses four different statistical metrics (MAE, RMSE, NSE, and, R) to determine the success of these algorithms. The results indicate that the R, MAE, NSE, and, RMSE values of the two approaches range from 0.9352 to 0.9806, from 29.0737 to 59.4840 Wh/m2, from 0.6445 to 0.9686 and from 57.4492 to 94.3287 Wh/m2, respectively. The results revealed that the methods used in the study performed satisfactorily in terms of hourly solar radiation estimation, but the LSTM method performed better. [ABSTRACT FROM AUTHOR]

The climate crisis necessitates the development of non-fossil energy sources. Harnessing solar energy for fuel production shows promise and offers the potential to utilize existing energy infrastructure. However, solar fuel production is in its early stages of development, constrained by low conversion efficiency and challenges in scaling up production. Concentrated solar energy (CSE) technology has matured alongside the rapid growth of solar thermal power plants. This review provides an overview of current CSE methods and solar fuel production, analyzes their integration compatibility, and delves into the theoretical mechanisms by which CSE impacts solar energy conversion efficiency and product selectivity in the context of photo-electrochemistry, thermochemistry, and photo-thermal co-catalysis for solar fuel production. The review also summarizes approaches to studying the photoelectric and photothermal effects of CSE. Lastly, it explores emerging novel CSE technology methods in the field of solar fuel production. [ABSTRACT FROM AUTHOR]

This study aims to ameliorate the contribution capability of doubly-fed induction generator (DFIG) to participate in standalone microgrid operation. The islanded microgrid consists of a solar photovoltaic array for solar energy conversion and battery energy storage in addition to DFIG-based wind energy conversion system. Using a simplified control approach, the study describes multi-mode operation of a DFIG-based AC/DC microgrid using a stator-side solid-state transition switch (SSTS). Using SSTS operation, the DFIG stator can be seamlessly disconnected and reconnected from the point of common coupling without interrupting power to the loads in the microgrid. Additionally, non-ideal AC loads can be handled efficiently without the need for computationally exhaustive approaches to enhance stator voltages and currents. [ABSTRACT FROM AUTHOR]

To ensure the continuous supply of power in remote areas utilizing renewable energy resources is significant. Hence, in this research, an effective energy management method for a small-scale hybrid wind-solar-battery-Ultra-capacitor-based microgrid is proposed. Hybrid Energy Storage System (HESS) has been presented in conjunction with wind and solar energy conversion technologies characterized by coupling of power electronic converters, neural networks, optimization, battery, controllers, and ultra-capacitor storage systems to attain the intended performance. The power balance is regulated via an energy management system by considering the fluctuation in load demand and renewable energy power generation. Further, the voltage controller utilizes the deep Siamese neural network (deep SNN) that effectively carries out energy management among the hybrid renewable energy sources. The smelling-based hunting optimization assists in optimal parameter tuning and training of the deep SNN for enhancing the HESS’s efficiency. In addition, the microgrid operates independently and offers a testing area for different energy management systems and testing scenarios. The proposed small-scale microgrid, which is based on renewable energy, can serve as a significant testing area for methods utilized in smart grid applications. The proposed SBHO model’s efficiency is determined by varying the voltage, current, and power of the wind, solar, battery, and ultra-capacitor measurements. The current capacity of the battery reaches −11.06A and the battery voltage reaches 259.831 V in 0.82 s. The DC load measurement utilizing the SBHO approach obtained a DC bus voltage of 357.11V, a load current of 3.348 A within 0.82 s, and in DC power load attained the 1195.58 W within 0.82 s. The battery’s SOC by applying the smelling-based hunting optimization is gradually increased to 50.008% in 0.82s.In terms of the PV measurement, the PV current, PV voltage, and PV power are obtained as 4.238A,241.08V, and 1021.64W for the SBHO approach which surpasses other competent techniques. The ultra-capacitor current ranges from 35A to 40A with reduced heavy discharge of SOC from 98% obtained on evaluating the performance. The output power of wind using a boost converter remains 3000 W with few harmonics. [ABSTRACT FROM AUTHOR]

Interfaces between nanocrystals and their stabilizing ligands in light‐harvesting devices are crucial for mediating energy transfer, essential for efficient solar energy conversion. In metal halide perovskites, a promising material for these devices, Förster resonance energy transfer (FRET) within perovskite/acceptor‐molecule complexes offers a pathway for optimized energy transfer. However, traditional methods for optimizing FRET in perovskite‐chromophore hybrids are based on static modifications. This study presents an innovative approach for light‐driven dynamic control of FRET, achieving an ≈14% enhancement in efficiency between CsPbBr3 nanocrystals (CPB NCs) and rhodamine B isothiocyanate (RITC) dye. UV light is utilized to reversibly regulate NC‐ligand binding and thus control the coupling between CPB NCs and RITC at their interface. This approach critically relies on strong NC–ligand interactions, such as the Pb─S bond between CPB NCs and RITC. Light exposure weakens the binding of surface ligands, allowing RITC, with its strong bond, to attach more effectively and promote enhanced energy transfer. This light‐activated control is absent with Rhodamine B (RhB) lacking ─NCS group, a strong binding motif. The findings reveal the importance of NC–ligand interactions in dynamically manipulating FRET with light. This pioneering method for nanoscale FRET control paves the way for more efficient light‐harvesting devices. [ABSTRACT FROM AUTHOR]

Efficient utilization of light energy is crucial for various technological applications ranging from solar energy conversion to optoelectronic devices. Supramolecular light-harvesting systems (LHS) have emerged as promising platforms for enhancing light absorption and energy transfer process. In this Feature Article, we highlight the utilization of tetraphenylethylene (TPE) chromophores as antennas in supramolecular assemblies for light harvesting applications. TPE, as an archetypal aggregation-induced emission (AIE) chromophore, offers unique advantages such as high photostability and efficient light-harvesting capabilities upon self-assembly. We discuss the design principles and synthetic strategies employed to construct supramolecular assemblies incorporating TPE chromophores, elucidating their roles as efficient light-harvesting antennas. Furthermore, we delve into the mechanisms governing energy transfer processes within these assemblies, such as Förster resonance energy transfer (FRET). The potential applications of these TPE-based supramolecular systems in various fields, including photocatalysis, reactive oxygen species generation, optoelectronic devices and sensing, are explored. Finally, we provide insights into future directions and challenges in the development of next-generation supramolecular LHSs utilizing TPE chromophores. [ABSTRACT FROM AUTHOR]

Singlet fission (SF), as an effective way to break through the Shockley–Queisser limit, can dramatically improve energy conversion efficiency in solar cell areas. The formation, separation, and relaxation of triplet-pair excitons directly affect the triplet yield, especially triplet-pair separation; thus, how to enhance the triplet-pair separation rate becomes one of the key points to improve SF efficiency; the decay mechanism where the singlet state is converted into two triplet states is significant for the study of the SF mechanism. Herein, we employ ultrafast transient absorption spectroscopy to study the singlet-fission process of nano-amorphous 6, 13-bis(triisopropylsilylethynyl)-Pentacene (TIPS-pentacene) films in a diamond anvil cell (DAC). A kinetics model related to the structural geometric details, as well as an evaluation of the pressure manipulation impacts, is demonstrated based on the experimental results. The results indicate that pressure manipulation enhanced the triplet-pair separation rates of SF-based materials according to their structural micro-environmental improvement when compressed in DAC, while the triplet-exciton transportation lifetime is prolonged. This work shows that pressure may effectively optimize the structural disorder of SF materials, which were found to improve triplet-pair separation efficiency and potentially offer an effective way to further improve SF efficiency. [ABSTRACT FROM AUTHOR]

Solar‐driven photoelectrochemical (PEC) water‐splitting cells coupled with a photovoltaic (PV) cell as a photoanode have become an intriguing topic in solar energy conversion. In this study, for the purpose of developing a system with high efficiency, several photoanode materials were investigated to adjust the oxygen evolution reaction and the hydrogen evolution reaction (HER) energy bands. Among all, MAPbBr3 with a wide bandgap (2.3 eV) was selected. However, the power conversion efficiency of the PV cell was not desirable due to the low light absorption. Therefore, the NiO–GeSe core–shell was placed inside the perovskite layer to enhance light absorption and carrier generation. In order to achieve a cell with the maximum performance, the core–shell height, and the shell radius were optimized, where the optimum structure was recognized with a core–shell height of 300 nm and a radius of 25–60 nm. The system's total efficiency, which is represented by the solar to hydrogen efficiency, was then increased from 5.49% to 19.74% for the planar and nanostructure photoanode, respectively. The proposed PEC cell with the optimized photoanode is considered as the most efficient half‐tandem and perovskite‐based reported coupled system, operating without the need for an external voltage. In this study, three optical, electrical, and electrochemical models were solved using the finite element method to analyze the coupled system. [ABSTRACT FROM AUTHOR]

Herein, we demonstrate an optimization of dye-sensitized solar cells (DSSCs) through the development of single-layer and double-layer configurations. Focusing on the incorporation of brookite and anatase phases in varying ratios, the study aims to determine the optimal composition for enhanced photovoltaic performance. The active layer, composed of anatase- and brookite-TiO2 nanoparticles, is further modified with a scattering layer comprising a mixture of anatase nanoparticles and brookite-TiO2 in the form of nanocube or rice-like particles. The synthesis of TiO2 nanostructures with various morphologies and phase compositions and their subsequent application in single-layer and double-layer DSSCs are presented. The results highlight the superior light-harvesting capabilities achieved through the strategic incorporation of brookite phase into the anatase phase, emphasizing the importance of optimizing the anatase: brookite ratio. The single-layer DSSCs exhibit a peak efficiency of 8.73%, achieved with a composition of 30 wt.% brookite and 70 wt.% anatase at a thickness of 15 μ ms. In the context of double-layer DSSCs, the combined optimization of the active layer composition, scattering layer morphology, and utilization of anatase nanoparticles leads to a remarkable efficiency of 9.18%. These findings underscore the critical role of composition and morphology in enhancing the performance of DSSCs, showcasing the potential for brookite-based DSSCs in solar energy conversion. [ABSTRACT FROM AUTHOR]

The optimization of solar photovoltaic (PV) cells and modules is crucial for enhancing solar energy conversion efficiency, a significant barrier to the widespread adoption of solar energy. Accurate modeling and estimation of PV parameters are essential for the optimal design, control, and simulation of PV systems. Traditional optimization methods often suffer from limitations such as entrapment in local optima when addressing this complex problem. This study introduces the Material Generation Algorithm (MGA), inspired by the principles of material chemistry, to estimate PV parameters effectively. The MGA simulates the creation and stabilization of chemical compounds to explore and optimize the parameter space. The algorithm mimics the formation of ionic and covalent bonds to generate new candidate solutions and assesses their stability to ensure convergence to optimal parameters. The MGA is applied to estimate parameters for two different PV modules, RTC France and Kyocera KC200GT, considering their manufacturing technologies and solar cell models. The significant nature of the MGA in comparison to other algorithms is further demonstrated by experimental and statistical findings. A comparative analysis of the results indicates that the MGA outperforms the other optimization strategies that previous researchers have examined for parameter estimation of solar PV systems in terms of both effectiveness and robustness. Moreover, simulation results demonstrate that MGA enhances the electrical properties of PV systems by accurately identifying PV parameters under varying operating conditions of temperature and irradiance. In comparison to other reported methods, considering the Kyocera KC200GT module, the MGA consistently performs better in decreasing RMSE across a variety of weather situations; for SD and DD models, the percentage improvements vary from 8.07% to 90.29%. [ABSTRACT FROM AUTHOR]

Solar tracking systems allow an increase in the use of solar energy for its conversion with photovoltaic technology due to the alignment with the sun. However, there is a compromise between tracking accuracy and the energy required to perform the movement action. Consequently, the wear of the tracker components increases, reducing its useful lifetime and affecting the profitability of these systems. The present research develops a novel tracking strategy based on real-time measurements to increase the lifetime without reducing the energy productivity of the tracking systems. The proposed approach is verified experimentally by implementing the real-time decision-making algorithm and a conventional tracking algorithm in identical tracking systems under the same weather conditions. The proposed strategy reduces energy consumption by 14.18 % due to the tracking action, maintaining a practically identical energy generation between both systems. The findings highlight a 53.33 % reduction in the movements required for tracking and a 60.77 % reduction in operation time, which translates into a 6.8 -fold increase in the lifetime of the solar tracking system under the experimental conditions applied. The results are promising, so this research initiates and motivates the development of more complex models to increase the useful life of the tracking systems and their profitability and environmental impact concurrently. [ABSTRACT FROM AUTHOR]

Near‐infrared (NIR) absorbing electron donor‐acceptor (D−A) chromophores have been at the forefront of current energy research owing to their facile charge transfer (CT) characteristics, which are primitive for photovoltaic applications. Herein, we have designed and developed a new set of benzothiadiazole (BTD)‐based tetracyanobutadiene (TCBD)/dicyanoquinodimethane (DCNQ)‐embedded multimodular D−A systems (BTD1‐BTD6) and investigated their inherent photo‐electro‐chemical responses for the first time having identical and mixed terminal donors of variable donicity. Apart from poor luminescence, the appearance of broad low‐lying optical transitions extendable even in the NIR region (>1000 nm), particularly in the presence of the auxiliary acceptors, are indicative of underlying nonradiative excited state processes leading to robust intramolecular CT and subsequent charge separation (CS) processes in these D−A constructs. While electrochemical studies identify the moieties involved in these photo‐events, orbital delocalization and consequent evidence for the low‐energy CT transitions have been achieved from theoretical calculations. Finally, the spectral and temporal responses of different photoproducts are obtained from femtosecond transient absorption studies, which, coupled with spectroelectrochemical data, identify broad NIR signals as CS states of the compounds. All the systems are found to be susceptible to ultrafast (~ps) CT and CS before carrier recombination to the ground state, which is, however, significantly facilitated after incorporation of the secondary TCBD/DCNQ acceptors, leading to faster and thus efficient CT processes, particularly in polar solvents. These findings, including facile CT/CS and broad and intense panchromatic absorption over a wide window of the electromagnetic spectrum, are likely to expand the horizons of BTD‐based multimodular CT systems to revolutionize the realm of solar energy conversion and associated photonic applications. [ABSTRACT FROM AUTHOR]