Optical properties of undoped and chromium-doped VA-VIA-VIIA single crystals

Hyun, Seung Cheol; Kim, Young Geun; Kim, Mi Yang; Koh, Jeong Dae; Park, Byong Seo; Kim, Wha Tek

doi:10.1007/bf01151535

Cited by 25 publications

(10 citation statements)

References 2 publications

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“…SbSI films can be prepared by hydrothermal methods [269] or simple solution processing methods [270]. In addition, SbSI single crystals can be synthesized via the vertical Bridgeman technique [271] or CVT [272]. Due to the anisotropy of SbSI, it is still difficult to fabricate large-area and uniform single crystalline samples.…”

Section: V-vi-vii Materialsmentioning

confidence: 99%

Perovskite-inspired materials for photovoltaics and beyond—from design to devices

et al. 2021

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Lead-halide perovskites have demonstrated astonishing increases in power conversion efficiency in photovoltaics over the last decade. The most efficient perovskite devices now outperform industry-standard multi-crystalline silicon solar cells, despite the fact that perovskites are typically grown at low temperature using simple solution-based methods. However, the toxicity of lead and its ready solubility in water are concerns for widespread implementation. These challenges, alongside the many successes of the perovskites, have motivated significant efforts across multiple disciplines to find lead-free and stable alternatives which could mimic the ability of the perovskites to achieve high performance with low temperature, facile fabrication methods. This Review discusses the computational and experimental approaches that have been taken to discover lead-free perovskite-inspired materials, and the recent successes and challenges in synthesizing these compounds. The atomistic origins of the extraordinary performance exhibited by lead-halide perovskites in photovoltaic devices is discussed, alongside the key challenges in engineering such high-performance in alternative, next-generation materials. Beyond photovoltaics, this Review discusses the impact perovskite-inspired materials have had in spurring efforts to apply new materials in other optoelectronic applications, namely light-emitting diodes, photocatalysts, radiation detectors, thin film transistors and memristors. Finally, the prospects and key challenges faced by the field in advancing the development of perovskite-inspired materials towards realization in commercial devices is discussed.

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Section: V-vi-vii Materialsmentioning

confidence: 99%

Perovskite-inspired materials for photovoltaics and beyond—from design to devices

et al. 2021

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“…In BiSI, the valence band maximum (VBM) and CBM occur between Y-G and G-Z, respectively, whereas in BiSeI, the VBM occurs between G-Z and the CBM is situated at G. The calculated band gaps for BiSI and BiSeI are 1.78 eV and 1.50 eV, respectively and are noticeably overestimated compared to experiment (1.57 eV and 1.29 eV for BiSI and BiSeI), which is likely due to the absence of thermal effects, including lattice expansion and electron-phonon coupling, when performing the calculations. The band gaps are both indirect (E i g ), as expected of group 15 chalcohalide semiconductors, 65,66 however, as the direct band gap (E d g ) is more relevant for thin lm solar absorbers, due to the requirement for high absorption coefficients (vertical optical transitions), it is provided in Table 2. The difference between the direct and indirect band gaps is only $0.1 eV, indicating that these materials are still suitable for thin lm photovoltaic applications.…”

Section: Electronic Structurementioning

confidence: 99%

Relativistic electronic structure and band alignment of BiSI and BiSeI: candidate photovoltaic materials

et al. 2016

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Bismuth-based solar absorbers are of interest due to similarities in the chemical properties of bismuth halides and the exceptionally efficient lead halide hybrid perovskites. Whilst they both experience the same beneficial relativistic effects acting to increase the width of the conduction band, bismuth is non-toxic and non-bioaccumulating, meaning the impact of environmental contamination is greatly reduced. Here, we use hybrid density functional theory, with the addition of spin orbit coupling, to examine two candidate bismuth containing photovoltaic absorbers, BiSI and BiSeI, and show that they possess electronic structures suitable for photovoltaic applications. Furthermore, we calculate band alignments against commonly used hole transporting and buffer layers, which indicate band misalignments are likely to be the source of the poor efficiencies reported for devices containing these materials. Based on this we have suggested alternative device architectures expected to result in improved power conversion efficiencies

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“…Especially, bismuth-based chalcohalides like BiSI or BiSeI have attracted significant attention of late as photovoltaic (PV) materials789, attributed to their excellent semiconducting nature and narrow band gap (BiSI: 1.59 eV10 and BiSeI: 1.29 eV11), which enable the utilization of a wide range of solar spectrum. In addition, fine, tailored tuning of bands is strongly expected to be possible via arbitrary substitution between iodide and bromide, examples of which have been reported for some oxyhalide systems such as BiOBr 1− x I x 12.…”

mentioning

confidence: 99%

Low-Temperature Synthesis of Bismuth Chalcohalides: Candidate Photovoltaic Materialswith Easily, Continuously Controllable Band gap

Kunioku

Higashi

Abe

2016

Sci Rep

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Although bismuth chalcohalides, such as BiSI and BiSeI, have been recently attracting considerable attention as photovoltaic materials, the methods available to synthesize them are quite limited thus far. In this study, a novel, facile method to synthesize these chalcohalides, including BiSBr1−xIx solid solutions, at low temperatures was developed via the substitution of anions from O2− to S2− (or Se2−) using bismuth oxyhalide precursors. Complete phase transition was readily observed upon treatment of BiOI particles with H2S or H2Se at surprisingly low temperatures of less than 150 °C and short reaction times of less than 1 h, producing BiSI and BiSeI particles, respectively. This method was also applied for synthesizing BiSBr1−xIx, where continuous changes in their band gaps were observed depending on the ratio between iodine and bromine. The composition of all elements (except oxygen) in the chalcohalides thus produced was almost identical to that of the oxyhalide precursors, attributed to the suppressed volatilization of halogens at such low temperatures. All chalcohalides loaded on FTO clearly exhibited an anodic photocurrent in an acetonitrile solution containing I−, attributed to their n-type nature, e.g., the BiSI electrode exhibited high IPCE (64% at 700 nm, +0.2 V vs. Ag/AgCl).

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Optical properties of undoped and chromium-doped VA-VIA-VIIA single crystals

Cited by 25 publications

References 2 publications

Perovskite-inspired materials for photovoltaics and beyond—from design to devices

Perovskite-inspired materials for photovoltaics and beyond—from design to devices

Relativistic electronic structure and band alignment of BiSI and BiSeI: candidate photovoltaic materials

Low-Temperature Synthesis of Bismuth Chalcohalides: Candidate Photovoltaic Materialswith Easily, Continuously Controllable Band gap

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