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Semiconducting MXenes are an intriguing two-dimensional (2D) material class with promising electronic and optoelectronic properties. Here, we focused on recently prepared Hf-based MXenes, namely, Hf3C2O2 and Hf2CO2. Using the first-principles calculation and excited state corrections, we proved their dynamical stability, reconciled their semiconducting behavior, and obtained fundamental gaps by using the many-body GW method (indirect 1.1 and 2.2 eV; direct 1.4 and 3.5 eV). Using the Bethe–Salpeter equation, we subsequently provided optical gaps (0.9 and 2.7 eV, respectively), exciton binding energies, absorption spectra, and other properties of excitons in both Hf-based MXenes. The indirect character of both 2D materials further allowed for a significant decrease of excitation energies by considering indirect excitons with exciton momentum along the Γ-M path in the Brillouin zone. The first bright excitons are strongly delocalized in real space while contributed by only a limited number of electron–hole pairs around the M point in the k-space from the valence and conduction band. A diverse range of excitonic states in Hf3C2O2 MXene lead to a 4% and 13% absorptance for the first and second peaks in the infrared region of absorption spectra, respectively. In contrast, a prominent 28% absorptance peak in the visible region appears in Hf2CO2 MXene. Results from radiative lifetime calculations indicate the promising potential of these materials in optoelectric devices requiring sustained and efficient exciton behavior. [ABSTRACT FROM AUTHOR]

We present a detailed theoretical analysis of polarized absorption spectra and linear dichroism of cyanine dye aggregates whose unit cells contain two molecules. The studied threadlike ordered system with a molecular exciton delocalized along its axis can be treated as two chains of conventional molecular aggregates, rotated relative to each other at a certain angle around the aggregate axis. Our approach is based on the general formulas for the effective cross section of light absorption by a molecular aggregate and key points of the molecular exciton theory. We have developed a self-consistent theory for describing the orientational effects in the absorption and dichroic spectra of such supramolecular structures with nonplanar unit cell. It is shown that the spectral behavior of such systems exhibits considerable distinctions from that of conventional cyanine dye aggregates. They consist in the strong dependence of the relative intensities of the J- and H-type spectral bands of the aggregate with a nonplanar unit cell on the angles determining the mutual orientations of the transition dipole moments of constituting molecules and the aggregate axis as well as on the polarization direction of incident light. The derived formulas are reduced to the well-known analytical expressions in the particular case of aggregates with one molecule in the unit cell. The calculations performed within the framework of our excitonic theory combined with available vibronic theory allow us to quite reasonably explain the experimental data for the pseudoisocyanine bromide dye aggregate. [ABSTRACT FROM AUTHOR]

Transient absorption (TA) spectroscopy of semiconductor nanocrystals (NCs) is often used for excited state population analysis, but recent results suggest that TA bleach signals associated with multiexcitons in NCs do not scale linearly with exciton multiplicity. In this manuscript, we probe the factors that determine the intensities and spectral positions of exciton and biexciton components in the TA spectra of CdSe quantum dots (QDs) of five diameters. We find that, in all cases, the peak intensity of the biexciton TA spectrum is less than 1.5 times that of the single exciton TA spectrum, in stark contrast to a commonly made assumption that this ratio is 2. The relative intensities of the biexciton and exciton TA signals at each wavelength are determined by at least two factors: the TA spectral intensity and the spectral offset between the two signals. We do not observe correlations between either of these factors and the particle diameter, but we find that both are strongly impacted by replacing the native organic surface-capping ligands with a hole-trapping ligand. These results suggest that surface trapping plays an important role in determining the absolute intensities of TA features for CdSe QDs and not just their decay kinetics. Our work highlights the role of spectral offsets and the importance of surface trapping in governing absolute TA intensities. It also conclusively demonstrates that the biexciton TA spectra of CdSe QDs at the band gap energy are less than twice as intense as those of the exciton. [ABSTRACT FROM AUTHOR]

The development of lasing materials with weak pile‐up effect from triplet excitons, low lasing threshold, and long operational lifetime is much significant for truly continuous wave operation and electrically pumping organic lasers. However, most of organic gain media has been verified to have extreme quenching effect from triplet excitons due to its wide‐band distribution of triplet absorption spectrum. Here, it is found that the phenanthroimidazole derivatives as gain media have congenital advantages on handling triplet's issues. A very low amplified spontaneous emission (ASE) threshold of 0.56 µJ cm−2 and a long operational lifetime of 5.77 × 105 pump pulses in air atmosphere are well obtained. When increasing the pump repetition frequency from 20 Hz to 20 kHz, the operational lifetimes of the thin films have small reduction. Under a high pump repetition frequency of 200 kHz, which is quasi‐continuous wave operational regime, the PI2PhDPO thin film exhibits very low ASE threshold of 0.78 µJ cm−2 due to the tiny overlap between triplet absorption and ASE spectra. [ABSTRACT FROM AUTHOR]

In the era of intelligence, the output colors of foundational phosphors are expected to be controlled by programs, while current activators‐determined afterglow candidates with fixed spectral channel have limitations in creating customized colors. Here, a long‐lived warm‐white emission is successfully demonstrated originating from self‐trapped excitons (STEs) in non‐toxic Cs2NaInCl6:Ag,Bi, ranging from 400 to 850 nm, of which the afterglow color can be easily customized using filters. This investigation indicates that 3% of Ag alloying breaks the dark STEs and introduces traps for efficient afterglow, while 3% Bi doping further improves the quantum yield to ≈100% and greatly enhances afterglow by ≈100‐fold compared with the initial intensity, allowing for an impressive afterglow persistence of over 20,000 s. Intriguingly, the self‐trapped defect bands from Jahn‐Teller distortions are prolonged from hundreds of femtoseconds to several hours, and they are first detected in the steady‐state absorption spectra after the cessation of excitation sources, contributing to the concluded dynamic afterglow model for STEs. And its intelligent application is corroborated by designed multi‐channel information system. These findings offer a novel scheme for understanding dynamic luminescence of STEs and supply an exemplification of designing white afterglow phosphors. [ABSTRACT FROM AUTHOR]

We report the absorption spectra and photophysical properties of homo and hetero‐aggregate assemblies of a strongly emissive N‐annulated perylene dye (P) and of a dyad made of P and a methyl viologen derivative (P‐MV), in ethanol‐water solutions. In homo‐aggregate assemblies of P, the π‐π* fluorescence of the isolated chromophore is replaced by excimer emission at lower energy, with a lifetime of 900 ps, due to excimer formation from the initially prepared excitons. In homo‐aggregate assemblies of P‐MV, photoinduced charge separation, with formation of P+‐MV− species, occurs in 3 ps with a charge recombination of 20 ps. In hetero‐aggregate P/P‐MV systems, the light energy absorbed by the P components delocalizes over various P subunits, and when a P‐MV unit is reached, charge separation occurs; however, excimer emission is present for P/P‐MV ratio larger than 3 : 1, indicating that delocalized excitons within the hetero‐aggregate systems extend over a limited number of P chromophores. [ABSTRACT FROM AUTHOR]

Electroabsorption (EA) measurements can be used to identify the type of excitons contributing to the absorption spectra of semiconductors. However, the shape of the EA spectrum may vary depending on the mode of measurement due to the optical interference effects. Analysis without considering these effects may lead to erroneous conclusions. In this work, we present EA measurements and analysis for reflection mode measurements considering optical interference effects. We compared the inferences with transmission mode measurements and discuss the limitations. We identified the nature of excitons associated with each transition in the absorption spectrum of poly[(2,5-bis(2-hexyldecyloxy)-phenylene)-alt-(5,6-difluoro-4,7-di(thiophen-2-yl)benzo[c]-[1,2,5]-thiadiazole)] thin film from EA measurements. The bands at 1.89, 2.05, and 2.27 eV had a mixed nature consisting of charge transfer and Frenkel characteristics. Of these, the band at 2.05 eV showed the strongest charge transfer characteristic. From thickness dependent measurements, we showed that the interference effects increase with the thickness of the semiconductor layer. The nature of excitons, however, could still be deduced qualitatively from reflection mode EA measurements. [ABSTRACT FROM AUTHOR]

The optoelectronic properties of quantum confined semiconductor nanocrystals depend critically on the band edge electron and hole levels and their exciton fine structures. Transient absorption (TA) spectroscopy has been widely used to probe the dynamics of photogenerated electrons, holes, and excitons in these materials through their state filling induced bleach of the band edge exciton transition. Such effects, in principle, reflect the band edge fine structures and are well understood for the conduction band electrons. However, the valence band hole state filling signals remain poorly understood due to the complexity of the valence band level structure and the presence of fast hole trapping in many materials. Herein, we report a study of the valence band hole state filling effect by comparing the TA spectra of CdSe quantum dots (QDs) with different degrees of hole trapping and by selective removal of the conduction band electrons to adsorbed methyl viologen molecules. We observe that in CdSe/CdS core/shell QDs with a high photoluminescence quantum yield of 81%, the valence band hole contributes to 22% ± 1% of the exciton bleach, while a negligible hole state filling signal is observed in CdSe core only QDs with a photoluminescence quantum yield of 17%. This hole state filling effect can be explained by a simplified valence band edge hole model that contains two sets of twofold degenerate hole levels that are responsible for the higher energy bright exciton and lower energy dark exciton states, respectively. Our result clarifies the TA spectral features of the valence band holes and provides insights into the nature of single hole states in CdSe-based QDs. [ABSTRACT FROM AUTHOR]

We theoretically propose a hybrid nanomechanical resonator (NR) system, where a doubly clamped suspended NR with an embedded quantum dot driven by two-tone fields is coupled to another NR via the Coulomb interaction, and we investigate the absorption spectra of the probe field under different exciton-pump field detuning. In the condition of pump on-resonance, the absorption spectrum gives a method to determine the coupling strength of the two NRs. In the pump off resonance, the absorption spectra exhibit double-Fano resonance, which is determined by the interaction of the two NRs, the frequencies of the two NRs, as well as the pump detuning. Furthermore, the double-Fano resonances are accompanied by the rapid normal phase dispersion, which indicates the slow- and fast-light effect. The results show that the group velocity index is tunable by the interaction of the two NRs, the detuning, and the different resonator frequencies, which can achieve the conversion from fast light to slow light. [ABSTRACT FROM AUTHOR]

Due to the exceptional photophysical properties and great potential applications in solid state lighting, zero-dimensional halide perovskites with broadband emitting have recently attracted much attention. In this work, to reveal the origin of the broadband absorption and emission spectra of 0D (C 4 N 2 H 14 Br) 4 SnBr x I 6 − x (x = 3), the ground state and exciton dynamics properties have been studied by hybrid PBE0 functional and the GW+BSE method. Different self-trapped excitons (STEs) are obtained, and their emission energies by PBE0 are consistent well with experimental data. By considering the vibrational broadening of emission, our calculated full width at half maximum of emission accords well with the experiment. The absorption of free exciton and STEs is also calculated by considering the quasiparticle and excitonic effect. Our results show that these light-induced trapped states can be observed by experiments, as confirmed in other similar systems by the femtosecond transient absorption spectra. [ABSTRACT FROM AUTHOR]

The absorption spectra of thin films (CsCl)1–x(CuCl)x were studied at T = 90 K in the spectral range 2–6 eV. From the analysis of the spectra, the formation of CsCu2Cl3 and Cs2CuCl3 compounds in the CsCl–CuCl system was created. The Cs2CuCl3 compound is stable only in a vacuum; in air, it apparently decomposes into CsCu2Cl3 with a disordered crystal lattice and CsCl. The exciton spectrum of both compounds is interpreted on the basis of transitions in the Cu+ ion. The one-dimensional character of excitons in CsCu2Cl3 and the two-dimensional character in Cs2CuCl3 were established. [ABSTRACT FROM AUTHOR]

We present here a theory of Majorana excitons, photo-excited conduction electron-valence band hole pairs, interacting with Majorana Fermions in a Kitaev chain of semiconductor quantum dots embedded in a nanowire. Using analytical tools and exact diagonalization methods, we identify the presence of Majorana zero modes in the nanowire absorption spectra. [ABSTRACT FROM AUTHOR]

Recently, interlayer and intralayer excitons in transition metal dichalcogenide heterobilayers have been studied both experimentally and theoretically. In spite of a growing interest, these layer-resolved excitons in the presence of external stimuli, such as strain, remain not fully understood. Here, using density-functional theory calculations with many-body effects, we explore the excitonic properties of vertically stacked MoSe2/WSe2 heterobilayer in the presence of in-plane biaxial strain of up to 5%. We calculate the strain dependence of exciton absorption spectrum, oscillator strength, wave function, and binding energy by solving the Bethe–Salpeter equation on top of the standard GW approach. We identify the interlayer and intralayer excitons by analyzing their electron-hole weights and spatial wave functions. We show that with the increase in strain magnitude, the absorption spectrum of the interlayer and intralayer excitons is red-shifted and re-ordered, and the binding energies of these layer-resolved excitons decrease monotonically and almost linearly. We derive the sensitivity of exciton binding energy to the applied strain and find that the intralayer excitons are more sensitive to strain than the interlayer excitons. For instance, a sensitivity of −7.9 meV/% is derived for the intra-MoSe2-layer excitons, which is followed by −7.4 meV/% for the intra-WSe2-layer excitons, and by −4.2 meV/% for the interlayer excitons. Our results indicate that interlayer and intralayer excitons in vertically stacked MoSe2/WSe2 heterobilayer are efficiently tunable by in-plane biaxial strain. [ABSTRACT FROM AUTHOR]

Experimental temperature dependences (77–293 K) of absorption and photoluminescence spectra of CdSe/ZnS semiconductor quantum dots (QDs) were analyzed based on modern models of exciton–phonon coupling. It was proven that the first excitonic transition absorption band formed with participation primarily of optical phonons of the CdSe core while the photoluminescence properties reflected the interaction of the ZnS layer with optical phonons. Photoluminescence quenching for CdSe/ZnS QDs of various diameters upon formation of nanoassemblies with porphyrin molecules was analyzed in the framework of a quantum-mechanical model. It was shown that the quenching rate constant decreased with increasing QD diameter and that the quenching process under quantum confinement conditions was due to the electron of an excited electron–hole pair tunneling onto the QD surface with subsequent localization on surface traps. [ABSTRACT FROM AUTHOR]

The "hot exciton" mechanism based on high-lying reverse intersystem crossing process has great advantages in achieving high-performance deep-blue organic light-emitting diodes (OLEDs). Nevertheless, how to solve the loss of high-lying excitons to improve device performance further is a pressing and challenging issue. To break through this shackle, a novel deep-blue emitter based on "exciton recovery" strategy is successfully design, namely CAT. By combining the transient absorption spectrum, theoretical calculation, magneto-electroluminescence, and transient-electroluminescence measurements, the multi-channeled pathways of excitons utilization via hot exciton and triplet-triplet annihilation processes is comprehensively demonstrated, and the proportion of singlet excitons by each channel. Finally, a high exciton utilization efficiency is successfully achieved, and the non-doped OLED based on CAT exhibit an excellent external quantum efficiency of 10.39% with the CIE coordinates of (0.15, 0.087). Furthermore, the sensitized blue fluorescent OLED by CAT as host also achieves excellent performance. More importantly, the operational lifetime of the "multi-channel" sensitized device is evaluated for the first time, performing the remarkable LT50 (lifetime to 50% of the initial luminance) of 320 h at 540 cd m-2. These results fully reveal the significance of the "exciton recovery" strategy and give new inspiration for exploring highperformance blue OLEDs. [ABSTRACT FROM AUTHOR]

The theoretical investigation of excited state for large photoactive systems plays the fundamental role in understanding various optical processes in material and biological system. Frenkel exciton (FE) model describing the excitation of the whole system as a collective effect of quasi‐particles of excitons, that is, bound electron–hole pairs, is well‐known as a simple but powerful theoretical scheme to present a clear and insightful physical picture for complicated excited state problems. In this mini‐review, we summarize our recent developments of quantum chemical methods based on exciton models and their related applications for large photoactive systems. It is shown that our developed ab initio renormalized exciton model (REM) and block interaction product state (BIPS) schemes provide new efficient and automatic low‐scaling excited state methods for both localized and delocalized excited states in large systems. Illustrative examples including simulations of both absorption and emission spectrum in large sized molecular aggregates, indicate the exciton model based methods provide promising computational tools for unravel the mechanism of photophysical and photochemical processes in large photoactive systems. [ABSTRACT FROM AUTHOR]

[Display omitted] • The lattice modification of Cs 2 NaInCl 6 was conducted by Ag and Zr dopants. • The emissive color temperature was tailored from warm- to cool-white with Zr content. • Double self-trapped excitons (STEs)-based pure-white afterglow was realized, which could last over 5 h. • 40 % of Zr dopants enhanced the initial afterglow intensity for ∼ 100-fold, compared with Cs 2 Na 0.9 Ag 0.1 InCl 6. • The bands of STEs were observed in steady-state absorption spectra thanks to energy storage. The incommensurable differences between the feeding and actual doping ratios of luminescent dopants and excessive reliance on rare-earth ions become two key problems in halide perovskite-based afterglow materials, restricting the production cost and further application. Here, we prepare a series of novel lead- and rare-earth-free halide afterglow phosphors Cs 2 (Na 0.9 Ag 0.1 In) 1- x Zr x Cl 6 under an ambient condition, in which the Zr dopants modify the lattice thus tailoring the emission spectrum and trap distribution, simultaneously. The focused Cs 2 (Na 0.9 Ag 0.1 In) 0.6 Zr 0.4 Cl 6 with mainly size distribution of ∼ 0.6–1.8 μm exhibits ∼ 350–850 nm ultrabroad white luminescence under ultra-violet excitation, and the introduced traps endow the white emission with a long-persistence of over 5 h after pre-irradiation. The absorption bands of self-trapped excitons (STEs) are observed in the steady-state absorption spectra during the afterglow process, suggesting the general accepted picosecond-scaled lifetimes of STEs have been successfully prolonged to hour-scale, which provide a potential opportunity for investigating the specific behavior of STEs. [ABSTRACT FROM AUTHOR]

Mixed-cation lead mixed-halide perovskites simultaneously possess structural stability and high power conversion efficiency. A thorough study of both carrier and exciton dynamics is needed to understand the photophysical properties that underpin its superior photovoltaic performance. By utilizing a broadband transient absorption spectroscopy, we observe the carrier and exciton dynamics in a FA0.85Cs0.15Pb(I0.97Br0.03)3 (FCPIB) perovskite by simultaneously resolving the carrier and exciton contribution to the transient change of the absorption spectra, from which the carrier density and exciton oscillator strength can be determined. Our data reveal a quick and significant conversion of the photogenerated carriers to excitons, on top of the usual carrier recombination process. Moreover, the decay of carrier density shows a change of kinetics from a second-order recombination at high pump fluence to a third-order recombination at low pump fluence. Our analysis utilizes band anharmonicity, presents an independent determination of electronic temperature and quasi-Fermi energy, and reveals an interesting interplay among the processes of carrier cooling, exciton formation/decay and carrier recombination, all as a function of time after photoexcitation. Our work demonstrates the use of pump fluence as a knob to tune the relative populations of carriers and excitons in halide perovskite materials. Lead halide perovskites have many suitable features as materials for solar cells and a better understanding of the underlying physics will help engineer improved performance values. Here, the authors use broadband transient absorption spectroscopy to probe the excited state dynamics of mixed-halide perovskites and the role of excitons and carriers. [ABSTRACT FROM AUTHOR]

Fluorescence properties of quantum dots (QDs) are critically affected by their redox states, which is important for practical applications. In this study, we investigated the optical properties of MoSe2-metallic phase quantum-dots (MoSe2-mQDs) depending on the pH variation, in which the MoSe2-mQDs were dispersed in water with two sizes (Φ~3 nm and 12 nm). The larger MoSe2-mQDs exhibited a large red-shift and broadening of photoluminescence (PL) peak with a constant UV absorption spectra as varying the pH, while the smaller ones showed a small red-shift and peak broadening, but discrete absorption bands in the acidic solution. The excitation wavelength-dependent photoluminescence shows that the PL properties of smaller MoSe2-mQDs are more sensitive to the pH change compared to those of larger ones. From the time-resolved PL spectroscopy, the excitons dominantly decaying with an energy of ~3 eV in pH 2 clearly show the shift of PL peak to the lower energy (~2.6 eV) as the pH increases to 7 and 11 in the smaller MoSe2-mQDs. On the other hand, in the larger MoSe2-mQDs, the exciton decay is less sensitive to the redox states compared to those of the smaller ones. This result shows that the pH variation is more critical to the change of photophysical properties than the size effect in MoSe2-mQDs. [ABSTRACT FROM AUTHOR]

Stacking atomically thin films enables artificial construction of van der Waals heterostructures with exotic functionalities such as superconductivity, the quantum Hall effect, and engineered light-matter interactions. In particular, heterobilayers composed of monolayer transition metal dichalcogenides have attracted significant interest due to their controllable interlayer coupling and trapped valley excitons in moiré superlattices. However, the identification of twist-angle-modulated optical transitions in heterobilayers is sometimes controversial since both momentum-direct (K–K) and -indirect excitons reside on the low energy side of the bright exciton in the monolayer constituents. Here, we attribute the optical transition at ∼1.35 eV in the WS2/WSe2 heterobilayer to an indirect Γ–K transition based on a systematic analysis and comparison of experimental photoluminescence spectra with theoretical calculations. The exciton wavefunction obtained by the state-of-the-art GW-Bethe-Salpeter equation approach indicates that both the electron and hole of the excitons are contributed by the WS2 layer. Polarization-resolved k -space imaging further confirms that the transition dipole moment of this optical transition is dominantly in-plane and is independent of the twist angle. The calculated absorption spectrum predicts that the so-called interlayer exciton peak coming from the K–K transition is located at 1.06 eV, but with a much weaker amplitude. Our work provides new insight into the steady-state and dynamic properties of twist-angle-dependent excitons in van der Waals heterostructures. [ABSTRACT FROM AUTHOR]

Excitonic effects in 1D semiconductors can be qualitatively different from those in higher dimensions. In particular, the Sommerfeld factor, the ratio of the above-band-edge excitonic continuum absorption to free electron-hole pair generation, has been shown to be less than 1 (suppressed) in 1D systems while it is larger than 1 (enhanced) in 2D and 3D systems. Strong continuum suppression indeed exists in semiconducting single-wall carbon nanotubes, a prototypical 1D semiconductor. However, absorption spectra for carbon nanotubes are typically fit with a combination of Lorentzians and a polynomial background baseline with little physical meaning. Here, we performed absorption measurements in aligned single-chirality (6,5) carbon nanotube films. The obtained spectra were fit with our theoretical model obtained by solving the Boltzmann scattering equation involving fifty-nine different types of transitions among three different types of quasiparticles. Specifically, we took into account microscopic interactions between photons, phonons, and excitons, including their dispersions, which unambiguously demonstrated that the background absorption is due to phonon-assisted transitions from the semiconductor vacuum to finite-momentum continuum states of excitons. The excellent agreement we obtained between experiment and theory suggests that our numerical technique can be seamlessly extended to compute strongly out-of-equilibrium many-body dynamics and time-resolved spectra in low-dimensional materials. [Display omitted] [ABSTRACT FROM AUTHOR]

The temperature-driven plasmon-exciton coupling in thermoresponsive dextran-graft-PNIPAM/Au nanoparticle/CdTe quantum dot (D-g-PNIPAM/Au NPs/CdTe QDs) hybrid nanosystem was studied. A significant (0.84 eV) splitting of the absorption peak was observed in the absorption spectrum of the nanosystem, which reflects the fact of formation of plexcitons, occurring due to strong plasmon-exciton coupling. An increasing with time plasmonic enhancement of the photoluminescence of CdTe QDs was revealed, as a result of the penetration of quantum dots into the volume of the D-g-PNIPAM/Au NP hybrid nanosystem and bonding to it. The heating–cooling cycle of the aqueous solution of the studied nanosystem leads to a reversible quenching-recovery alteration of the QD photoluminescence. The quenching was rationalized as a result of an increased probability of nonradiative resonance energy transfer (RET) from CdTe QDs to Au NPs, which occurs due to shortening of the NP-QD distance, caused by shrinking of the macromolecule due to cooling-induced lower critical solution temperature phase transition. Increasing the NP-QD distance in the heating stage recovers the QD PL intensity. The observed effect opens up opportunities for the controlled reversible temperature-driven tuning of the photoluminescence intensity of D-g-PNIPAM/Au NP/CdTe QD nanosystem, which is highly important for its potential use in photonics and biomedical applications. [ABSTRACT FROM AUTHOR]

Low‐dimensional metal halide perovskites have been widely regarded due to their unique crystal structure and photophysical properties. Herein, blue‐emission CsPbBr3 quantum dots (QDs) or nanocrystals (NCs) with extremely small crystal size (1–2 nm) but high photoluminescence quantum yield (PLQY, 72.4%) are synthesized with a new surface ligand, single (6‐amino‐6‐deoxy) beta cyclodextrin (6A‐βCD), which also acts as the confined‐growth template for such small QDs. Detailed photoluminescence spectrum and femtosecond transient absorption spectrum study proves that the blue emission with multiple peaks originates from both band‐edge radiation and exciton recombination. Furthermore, as a result of the small size, exciton localization in the form of self‐trapped excitons (STEs) and significant quantum size confinement effect are both important reasons for the efficient and wide blue emissions of these QDs. This work provides a new strategy not only to synthesize ultrasmall perovskite QDs but also to develop blue perovskite‐QD light‐emitting devices. [ABSTRACT FROM AUTHOR]

Ce+3 doped CsLaSiS 4 single crystals were synthesized using high-temperature flux synthesis. XRD analysis showed that the products are isostructural to CsLaSiS 4 and crystallize in orthorhombic space group Pnma. Absorption spectra were studied at room temperature, and photoluminescence properties were examined in the temperature range of 5–310 K. The energy of interband transitions E g = 3.75 eV was determined at room temperature in the Tauc model. At room temperature, only a non-elementary d → f emission band of Ce+3 ions was observed in the 520 nm region. The luminescence kinetics upon excitation by a pulsed cathode beam or X-ray synchrotron radiation exhibited a dominant nanosecond component. Decay time, as well as build-up time, decreased with increasing concentration of Ce+3 ions. Concentration quenching of Ce+3 emission was not observed up to 11.9 mol% of Ce+3 ions. At a low temperature of 5 K, new wide emission bands at 422 and 688 nm appeared in the photoluminescence spectrum. It is shown that the 422 nm band in the photoluminescence spectrum corresponds to host emission, specifically the luminescence of self-trapped excitons (STE). The 688 nm emission band corresponds to defect-related luminescence. STE emission is quenched according to the Mott law at temperatures above 26 K with an activation energy of 20 meV. An efficient energy transfer channel from the STE to the Ce+3 ion via the radiative resonance mechanism is observed. The emission of Ce+3 ions and defect-related luminescence can be excited by the intracenter way, due to electron-hole recombination, or by the creation of defect bound excitons. Based on the obtained spectroscopic data, a band scheme illustrating the processes of relaxation of electronic excitations at T = 5 K in Ce+3 doped CsLaSiS 4 crystals is proposed. [Display omitted] • Ce+3 doped CsLaSiS 4 single crystals were obtained through high-temperature flux synthesis. • Inter configurational d-f transitions in Ce3+ ions were studied upon both UV- and X-ray excitation. • Luminescence kinetic studies were conducted using a pulsed cathode beam and X-ray synchrotron radiation. • Self-trapped excitons, defect-bound excitons, and impurity luminescence were observed at T = 5 K. [ABSTRACT FROM AUTHOR]

The exciton states in the single-walled carbon nanotubes (SWNTs) with Stone–Wales (SW) defects are theoretically studied in the tight-binding model. It is found that for the semiconducting zigzag tubes (10, 0) with different concentration of SW defect, the exciton energies move to low energy region with increasing the concentration of SW defect, and the symmetry broken by the SW defects leads to splitting of the degenerate exciton energy levels, which can be seen clearly from the linear absorption spectra of defected SWNTs. As detected from the linear absorption spectra, we can give some information on the concentration of the SW defect existing in the SWNTs. [ABSTRACT FROM AUTHOR]

• Optical properties of monoclinic SbI3 are investigated using DFT calculations and experiment. • The calculated absorption spectra of six (hkl) planes show highly anisotropic nature. • 2.66 eV or 2.7 eV are possible indirect band gaps from band structure compared to measured 2.8 eV. • One exciton appears at 3.56 eV for (hkl) oriented film and two excitons at 2.95 eV and 3.30 eV for (1 3 0) • The experimental and theoretical optical properties match reasonably well. Structurally characterized antimony triiodide films grown by vacuum thermal evaporation exhibit anisotropic exciton formation at room temperature for different (hkl) oriented growth. Band structure of monoclinic SbI 3 was calculated using Density functional Theory with appropriate functional along with the absorption spectra of different (hkl) planes for comparing with the experimental results. The indirect band gap of 2.8 eV determined by measured absorption spectra matches closely with the calculated 2.66 eV. All (hkl) oriented films show one exciton at 3.56 eV which can be interpreted as direct type along D symmetry from the band structure. Similarly, the two excitons at 2.95 eV and 3.30 eV appearing for (1 3 0) oriented films can also be direct either at D or B symmetry. All three excitonic transitions are found to be from Iodine p states to Antimony p states. [ABSTRACT FROM AUTHOR]

All-inorganic lead halide perovskites nanocrystals (NCs) have been demonstrated to be promising candidates for optoelectronic devices, but preparing perovskite NCs with high photoluminescence quantum yields (PLQYs) and excellent stability has been a challenge. In this work, CsPbBr 3 /Cs 4 PbBr 6 core/shell NCs with a PLQYs of 87.23% and long-term stability in ambient environments was prepared by room temperature inverse microemulsion method. The excellent stability of the sample was attributed to the protection of Cs 4 PbBr 6 , and higher PLQYs could be owing to the passivation effect of the core/shell structure. To illustrate the distribution of photogenerated carrier in the core/shell structure, a confined excitons model was proposed based on time-resolved PL and temperature dependent PL measurements. Femtosecond time-resolved transient absorption spectra measurements were performed upon different excitation wavelength to unveil the photogenerated carrier dynamics in core/shell NCs. Upon 300 nm excitation, a carrier transfer process with the time of 3.18 ps from shell to core layer was observed. Furthermore, both two- and three-photon absorption PL was discovered in core/shell NCs, further verifying the carrier transfer process. [Display omitted] • Fabrication of strongly luminescent and highly stable CsPbBr 3 /Cs 4 PbBr 6 core/shell NCs. • A confined excitons model proposed for illustrating the higher PLQY in core/shell NCs. • A carrier transfer process from shell to core layer was observed in core/shell NCs. • Multi-photon absorption PL was observed further verifying the carrier transfer process. [ABSTRACT FROM AUTHOR]

[Display omitted] • Fluorescence Resonance Energy Transfer from P3HT to CuInSe 2. • Analytical study of the absorption and emission spectra of P3HT:CuInSe 2 composites. • Förster distance of critical energy transfer is estimated as 3.61 nm. • The average distance between donor–acceptor is found to be 4.71 nm. • Analysis of resonance charge transfer by estimation of HOMO-LUMO energy of donor–acceptor. This letter reports the paramount fluorescence resonance energy transfer mechanism for photo induced charge transfer from P3HT to solvothermally derived CuInSe 2. The HOMO (-4.85 eV) and LUMO (-3.38 eV) energy states of CuInSe 2 (electrical conductivity = 1.1x 10-7 Scm−1) are determined from cyclic voltammetry and optical study. This HOMO-LUMO position agrees to select P3HT polymer as possible donor of excitons. Steady-state luminescence study of composite (P3HT:CuInSe 2) demonstrates possibility of successful charge transfer. Stern–Volmer analysis of absorption and emission spectroscopy ensures static energy quenching phenomena. The Förster distance (R 0) of critical energy transfer is estimated as 3.61 nm. The average distance between donor–acceptor (r avg = 4.71 nm) is<8 nm and within the range 0.5R 0 < r < 1.5R 0 (1.81 nm < r < 5.42 nm), which ensures energy transfer from P3HT to CuInSe 2. [ABSTRACT FROM AUTHOR]

Blue and green light emitting CsPbBr 3 and CsPb(Cl/Br) 3 perovskite quantum dots glasses (QDGs) have been fabricated in multi-component borate glass matrices by melt quenching method and following heat treatment. Absorption spectra show regular blue shift of first exciton absorption peak from CsPbBr 3 to CsPb(Cl/Br) 3 QDGs. Photoluminescence spectra show that CsPbBr 3 and CsPb(Cl/Br) 3 QDGs have adjustable emission in the wavelengths from 528 to 442 nm. The full width at half maximum (FWHM) is 15–17 nm and 21–31 nm for CsPbBr 3 and CsPb(Cl/Br) 3 QDGs respectively. Emission map and photoluminescence excitation spectra show broad band excitation characteristics of the exciton emission. Photoluminescence decay shows bi-exponential function for both CsPbBr 3 and CsPb(Cl/Br) 3 QDGs. As the ratio of Cl/Br increases from CsPbBr 3 to CsPb(Cl/Br) 3 QDGs, the short and long lifetime components roughly decrease from 9.7 to 4.0 ns and from 87.8 to 55.2 ns respectively, and the average lifetime decreases from 72.2 to 36.5 ns. Photoluminescence quantum yield changes from 82.8% to 5.7%. Temperature dependence of PL spectra in the range of 28–120 °C shows that integrated intensity obviously decreases with increasing temperature, but the emission peak wavelength and FWHM almost do not change. • Absorption spectra show blue-shift for CsPbBr 3 and CsPb(Cl/Br) 3 QDGs with different Cl/Br ratios. • Photoluminescence spectra show blue shift from 528 to 442 nm for CsPbBr 3 and CsPb(Cl/Br) 3 QDGs. • Narrow FWHM is 15–17 nm and 21–31 nm for CsPbBr 3 and CsPb(Cl/Br) 3 QDGs respectively. • With increasing Cl/Br ratio, short lifetime component and PLQY decrease with the same rule. • With increasing temperature, integrated intensity decreases, but emission peak and FWHM do not change. [ABSTRACT FROM AUTHOR]