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The unique morphology of 2D van der Waals materials enables them to withstand large deformations and significant nonuniform strain, potentially inducing a strong flexoelectric effect. Despite the size‐dependent flexoelectric effect showing potential for modulating the optoelectronic performance of 2D van der Waals materials, it is far from being fully exploited owing to various challenges. Herein, the use of nanowires with different diameters as the bending media to fabricate 2D α‐In2Se3/β‐InSe heterojunctions with large curvatures of 0.1–1 µm−1 is proposed. The significant band alignment modulation in α‐In2Se3 resulting from the bending‐induced flexoelectric effect is verified through Kelvin probe force microscopy. The strain‐induced piezoelectric effect can be negated because of the weak vdW forces at the interface. The flexoelectric polarization in β‐InSe is screened via the accumulated electrons in the unilateral depleted heterojunction. Compared to the flat heterojunction, the curved heterojunction with an average curvature of 0.9 µm−1 shows 2.48‐fold and 7.62‐fold increases in open‐circuit voltage and zero‐biased responsivity, respectively. This study demonstrates the first successful modulation of photodetection in 2D heterojunctions by exploiting the flexoelectric effect, providing a new perspective for high‐performance 2D vdW optoelectronic devices. [ABSTRACT FROM AUTHOR]

Abstract: One of the most important factors that limits the efficiencies of bulk‐heterojunction organic solar cells (OSCs) is the modest open‐circuit voltage (Voc) due to their large voltage loss (Vloss) caused by significant nonradiative recombination loss. To boost the performance of OSCs toward their theoretical limit, developing high‐performance donor: acceptor systems featuring low Vloss with suppressed nonradiative recombination losses (<0.30 V) is desired. Herein, high performance OSCs based on a polymer donor benzodithiophene‐difluorobenzoxadiazole‐2‐decyltetradecyl (BDT‐ffBX‐DT) and perylenediimide‐based acceptors (PDI dimer with spirofluorene linker (SFPDI), PDI4, and PDI6) are reported which offer a high power conversion efficiency (PCE) of 7.5%, 56% external quantum efficiency associated with very high Voc (>1.10 V) and low Vloss (<0.60 V). A high Voc up to 1.23 V is achieved, which is among the highest values reported for OSCs with a PCE beyond 6%, to date. These attractive results are benefit from the suppressed nonradiative recombination voltage loss, which is as low as 0.20 V. This value is the lowest value for OSCs so far and is comparable to high performance crystalline silicon and perovskite solar cells. These results show that OSCs have the potential to achieve comparable Voc and voltage loss as inorganic photovoltaic technologies. [ABSTRACT FROM AUTHOR]

Triboelectric nanogenerators (TENGs) based on solution-processed zinc-oxide (ZnO) nanoripples acting as a triboelectric layer were fabricated to enhance their output voltage. Scanning electron microscopy images showed that ZnO nanoripples were uniformly formed on glass substrates coated with indium-tin oxide. The TENG containing ZnO nanoripples and operating in the vertical contact-separation mode exhibited an output voltage of 68 V, which was almost 3 times larger than that of the TENGs with ZnO nanorods. The open-circuit output voltages of TENGs were found to depend significantly on the condition of the ZnO nanoripple precursors. The friction force on the ZnO nanoripple matrix increased with increasing density of ZnO nanoripples due to an increase in the contact area between the ZnO nanoripples and the PI layer, resulting in an enhancement of the output voltage of the TENGs based on nanoripples. [ABSTRACT FROM AUTHOR]

All-oxide solar cells are presently attracting extensive research interest due to their excellent stability, low-cost and non-toxicity. However, the band gap of metal oxides is lack of effective optimization and results in poor photovoltaic performance, thus hindering their practical applications. In this work, Co 3 O 4 was investigated for application as a photo-absorber in all-oxide solar cells, and its band gap was optimized by introducing Li dopant into the spinel structure. Li x Co 3−x O 4 nanoparticles, prepared via the hydrothermal method, were homogenously coated onto TiO 2 mesoporous films, which were then used to fabricate planar heterojunction TiO 2 /Li x Co 3−x O 4 solar cells (SCs). The effects of Li-doping on the heterojunction solar cell performance were further investigated. The findings revealed that the incorporation of Li ions into Co 3 O 4 led to a significant enhancement in short-circuit current density (J sc ). Remarkably, a high open-circuit voltage (V oc ) of 0.70 V was also achieved. Besides, reasons for the enhanced cell performance are the narrower band gap, reduced photogenerated carrier recombination and the more favorable energy band structure as compared with SCs assembled from pure Co 3 O 4 . [ABSTRACT FROM AUTHOR]

The theoretical mechanism of open-circuit voltages (VOC) in OSCs based on various small molecule organic materials is studied. The structure under investigation is simple planar heterojunction (PHJ) by thermal vacuum evaporation deposition. The various wide band gaps of small molecule organic materials are used to enhance the power conversion efficiency (PCE). The donor materials used in the device include: Alpha-sexithiophene (α-6T), Copper(II) phthalocyanine (CuPc), boron subnaphthalocyanine chloride (SubNc) and boron Subphthalocyanine chloride (SubPc). It is combined with fullerene or SubPc acceptor material to obtain a comprehensive understanding of the charge transport behavior. It is found that the VOC of the device is largely limited by charge transport. This was associated with the space charge effects and hole accumulation. These results are attributed to the improvement of surface roughness and work function after molybdenum trioxide (MoO3) is inserted as an anode buffer layer. [ABSTRACT FROM AUTHOR]

The development of small molecule-based (SMs) organic photovoltaic (PV) materials is under intense attention by the researchers for organic solar cells (OSCs) to constantly revise their power conversion efficiencies (PCEs). Therefore, we have designed a series of Z-shaped non-fullerene acceptors (NFAs) (SNAA1-SNAA6), and characterized them theoretically for the possible use of in efficient OSCs devices. We have designed this Z-shaped series after employing several end-capped modifications over reference molecule (COi5DFIC (R)) to enhance their photovoltaic parameters further. We have extensively characterized these Z-shaped NFAs and explored their optoelectronic, photovoltaic and structure-property relationship with density functional theory (DFT) and time-dependent (TD-DFT). As a result, this Z-shaped NFA series (SNAA1-SNAA6) showed attractive narrower bandgaps (E g) compared to parent molecule R, and all are extremely red-shifted in the UV-Visible absorption spectrum. Moreover, we have also performed a complex study of donor:acceptor (D:A) blend (SNAA1:PTB7-Th) to show their compatibility in fabricating highly efficient OSCs devices. • Z-Shaped Non-fullerene acceptors (SNAA1-SNAA6) are designed for organic solar cells. • Highly red-shifted absorption, and an attractive narrow band-gaps are observed. • The non-fullerene acceptors showed an outstanding electron/hole reorganizational energy. • The designed materials (SNAA1-SNAA6) exhibited better optoelectronic properties as compared with reference R. [ABSTRACT FROM AUTHOR]

We present an experimental study combined with computer simulations on the effects of wide band-gap absorber and window layers on the open-circuit voltage ( Voc) in single junction thin film silicon solar cells. The quantity Δ Ep, taking as the difference between the band gap and the activation energy in ⟨p⟩ layer, is treated as a measure of the p-layer properties and shows a linear relation with Voc over a range of 100 mV with a positive slope of around 430 mV/eV. Two limiting mechanisms of Voc are identified: the built-in potential at lower Δ Ep and the band gap of the absorber layer at higher Δ Ep. The results of the experimental findings are confirmed by computer simulations. (© 2015 WILEY-VCH Verlag GmbH &Co. KGaA, Weinheim) [ABSTRACT FROM AUTHOR]

A new semiconducting polymer based on terthiophene-thienopyrrolodione alternating building blocks with a deep HOMO energy level (5.66 eV) is presented. The polymer is prepared by a direct heteroarylation polycondensation reaction, which is a low-cost and green alternative to the standard Stille coupling reaction and thus avoids any use of toxic stannyl derivatives. Integrating the polymer into bulk heterojunction solar cells with [6,6]-phenyl C71-butyric acid methyl ester ([70]PCBM) leads to a PCE of over 6% and a high open-circuit voltage of up to 0.94 V. To obtain these results a unique processing additive, 1-chloronaphthalene, is used, and a relatively low concentration of [70]PCBM is used in the blend solution. [ABSTRACT FROM AUTHOR]

The key strategy to enhance the intra-molecular push-pull effects by broadening the optial absorption of small molecule based organic photovoltaic (SM-OPV) materials is considered an effective approach to enhance the power conversion efficiencies (PCEs) of SM-OPV devices. However, in case of acceptor materials, the highly desirable molecular modelling strategy of halogenation generally effects in downward-shifting of molecular energy levels, resulting decrease in open-circuit voltages (V oc) in the devices. Herein, we investigate a fluorinated, chlorinated and cyanide (CN) based end-capped acceptor materials, which shows a broader optical absorption phenomenon and exhibited a good voltages than it chlorinated counterparts. These new molecularly engineered SM-OPV were characterize theoretically by density functional theory (DFT) and time-dependent (TD-DFT) approaches. The estimation of electron/hole mobility, and V oc was done by calculating the geometric parameters, electronic structures, frontier molecular orbitals (FMOs), charge transfer rates, and exciton binding energies of the designed OPV materials. The outcomes of these investigations revealed that all newly engineered SM-OPV acceptor materials displays an enhanced exciton dissociation and absorption efficiency and underneath LUMO levels which might be responsible to improve the V oc , reorganization energies, and photo-current density parametrs, resulting enhancement in the PCEs of the organic solar cells (OSC) devices. [Display omitted] • Non-fullerene acceptor molecules (SiOA1-SiOA5) are studied for organic solar cells applications. • Significant lowering of energy gap with concomitant red shifting of the absorption spectra is achieved. • All acceptor molecules have remarkable optoelectronic properties compared to R. [ABSTRACT FROM AUTHOR]

A trade‐off between open‐circuit voltage (VOC) and high short‐circuit (JSC) becomes one of the most vital problems limiting further improvement in polymer solar cells' (PSCs) efficiency. In this work, two asymmetric polymer donors PBDT‐F‐2TC and PBDT‐SF‐2TC are designed and synthesized. When blended with a state‐of‐the‐art acceptor IT‐4F with low lowest‐unoccupied molecular orbital level, simultaneously high VOC (up to 0.94 V) and JSC (up to 20.73 mA cm−2) are obtained for both copolymers. Note that the VOC value of 0.94 V is the highest value of PSCs based on IT‐4F reported so far. The simultaneously improved VOC and JSC in resulting devices are discovered from the deep highest‐occupied molecular orbital levels (−5.5 to −5.7 eV) and the hyperchromic effect of the polymers, the small driving force, and the small energy loss during the charge transfer, due to the synergistic effect of asymmetric carboxylate unit and fluorine/sulfur atoms. More importantly, thanks to the asymmetric 2TC, both PBDT‐F‐2TC‐ and PBDT‐SF‐2TC‐based PSCs can be successfully processed by non‐halogenated solvent 1,2,4‐trimethylbenzene (TMB) to yield device efficiencies of 10.29% and 10.39%, respectively, which are the maximum values for non‐fullerene PSCs fabricated using the eco‐friendly solvent TMB. [ABSTRACT FROM AUTHOR]