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Antimony Selenide (Sb$_2$Se$_3$) is an attractive candidate of photovoltaics with not yet satisfying efficiency. Beside defects, polaron formation originated from lattice distortion was proposed to account for trapping free carriers, and…

Materials Science · Physics 2024-10-08 Yijie Shi , Xi Wang , Zhong Wang , Zheng Zhang , Fuyong Hua , Chao Chen , Chunlong Hu , Jiang Tang , Wenxi Liang

Antimony sulfide (Sb2S3) and selenide (Sb2Se3) are emerging earth-abundant absorbers for photovoltaic applications. Solar cell performance depends strongly on charge carrier transport properties but these remain poorly understood in Sb2X3.…

Materials Science · Physics 2023-02-20 Xinwei Wang , Alex M. Ganose , Seán R. Kavanagh , Aron Walsh

Anisotropy of light-matter interactions in materials give remarkable information about the phonons and their interactions with electrons. We report the angle-resolved polarized Raman spectroscopy of single-crystal of Bi2Se3 to obtain the…

Materials Science · Physics 2023-04-18 Divya Rawat , Aditya Singh , Niraj Kumar Singh , Ajay Soni

Silicon telluride (Si2Te3) is a silicon-based 2D chalcogenide with potential applications in optoelectronics. It has a unique crystal structure where Si atoms form Si-Si dimers to occupy the "metal" sites. In this paper, we report an ab…

Materials Science · Physics 2019-06-27 Romakanta Bhattarai , Xiao Shen

Group-V elemental monolayers including phosphorene are emerging as promising 2D materials with semiconducting electronic properties. Here, we present the results of first principles calculations on stability, mechanical and electronic…

Computational Physics · Physics 2015-05-12 Gaoxue Wang , Ravindra Pandey , Shashi P. Karna

Recently a stable monolayer of antimony in buckled honeycomb structure called antimonene was successfully grown on 3D topological insulator Bi$_2$Te$_3$ and Sb$_2$Te$_3$, which displays semiconducting properties. By first principle…

Materials Science · Physics 2017-03-22 Yuanfeng Xu , Bo Peng , Hao Zhang , Hezhu Shao , Rongjun Zhang , Hongliang Lu , David Wei Zhang , Heyuan Zhu

In this work, density functional theory calculations were carried out to explore the mechanical response, dynamical/thermal stability, electronic/optical properties and photocatalytic features of monoclinic As2X3 (X=S, Se and Te)…

Computational Physics · Physics 2020-01-03 Bohayra Mortazavi , Fazel Shojaei , Maryam Azizi , Timon Rabczuk , Xiaoying Zhuang

The group IV-VI compound SnSe, with an orthorhombic lattice structure, has recently attracted particular interest due to its unexpectedly low thermal conductivity and high power factor, showing great promise for thermoelectric applications.…

Materials Science · Physics 2017-01-03 Xiaolong Xu , Qingjun Song , Haifeng Wang , Pan Li , Kun Zhang , Yilun Wang , Kai Yuan , Zichen Yang , Yu Ye , Lun Dai

The use of stibnite (Sb2S3) as sensitizers in the solid-state sensitized solar cells received considerable research interest during the transition of the millennium. However, the use of perovskite diminished the research in the field and…

Applied Physics · Physics 2021-05-25 Sumanshu Agarwal , Harekrishna Yadav , Kundan Kumar

In this work, we conduct a comprehensive first-principles investigation into the design and discovery of novel antimony oxychalcogenide monolayers Sb2X2O (X = S, Se) and Janus Sb2SSeO, examining their structural stability, elastic,…

Mesoscale and Nanoscale Physics · Physics 2026-02-10 Masoud Shahrokhi , Bohayra Mortazavi

Antimony sulphide (Sb$_2$S$_3$) is an Earth-abundant and non-toxic material that is under investigation for solar energy conversion applications. However, it still suffers from poor power conversion efficiency and a large open circuit…

Materials Science · Physics 2023-08-14 Yun Liu , Julia Wiktor , Bartomeu Monserrat

The phase-change material antimony sulfide (Sb$_2$S$_3$) relies on rapid and reversible phase transitions between crystalline and amorphous states, which are critical for their performance in data storage and photonics applications. In this…

Materials Science · Physics 2026-05-21 Souvik Chakraborty , Wen-Qing Li , Yun Liu

Direction-dependent charge transport and optical responses are characteristic of van der Waals (vdW) materials with strong in-plane anisotropy. While transition-metal trichalcogenides (TMTCs) exemplify this behavior, heavier analogs remain…

Optically anisotropic materials are sought after for tailoring the polarization of light. Recently, colossal optical anisotropy was reported in a quasi-one-dimensional chalcogenide, Sr1.125TiS3. Compared to SrTiS3, the excess Sr in…

Antimony sulfide (Sb$_2$S$_3$), a compound of earth-abundant elements with highly anisotropic, quasi-layered crystal structure, triggered growing interest as a solar absorber in photovoltaics and as a phase change material in memory…

Two-dimensional (2D) antimony (Sb, antimonene) recently attracted interest due to its peculiar electronic properties and its suitability as anode material in next generation batteries. Sb however exhibits a large polymorphic/allotropic…

We investigate the resistive anisotropy in CsV3Sb5 thin films within the charge density wave phase. Using a device structure with twelve electrodes symmetrically distributed in a circular shape, we measure the resistivity anisotropy by…

Superconductivity · Physics 2024-12-04 Han-Xin Lou , Xing-Guo Ye , Xin Liao , Tong-Yang Zhao , An-Qi Wang , Da-Peng Yu , Zhi-Min Liao

Stereochemically active lone-pair (SCALP) cations are attractive units for realizing optical anisotropy. Antimony (III) chloride perovskites with SCALP have remained largely unknown till date. We synthesized vacancy ordered Cs3Sb2Cl9…

Exploring the conduction mechanism in the chalcogenide perovskite BaZrS$_3$ is of significant interest due to its potential suitability as a top absorber layer in silicon-based tandem solar cells and other optoelectronic applications.…

We report on the fabrication and optimization of semi-transparent antimony sulfide (Sb$_2$S$_3$) thin-film solar cells in a superstrate configuration, using RF magnetron sputtering of metallic antimony followed by post-deposition…

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