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A DFT Study on the Structural, Electronic, Optical, and Mechanical Properties of Lead-Free Perovskites Rb2 YAuX6 (X = F, Cl, Br, I) for Solar Cell Applications 基于密度泛函理论(DFT)对用于太阳能电池应用的铅-free钙钛矿Rb2YAuX6(X = F, Cl, Br, I)的结构、电子、光学和力学性能的研究 Chinggelkim, Angela; Zosiamliana, R.; Kimi, Laltha; Hima, Lalhum; Lalroliana, Bernard; Pachuau, Lalrinthara; Gurung, Shivraj; Zuala, Lalhriat 分享 收藏
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Exploring the structural, optoelectronic, mechanical and thermoelectric properties of double halide perovskites Cs2 ScInX6 (X=Cl, Br, I) for green energy generators: a first principles study 探索双卤化物钙钛矿Cs₂ScInX₆(X=Cl, Br, I)的结构、光电、机械和热电性质,以用于绿色能源发生器:一项第一性原理研究 Chinggelkim, Angela; Zosiamliana, R.; Kimi, Laltha; Hima, Lalhum; Lalroliana, Bernard; Gurung, Shivraj; Zuala, Lalhriat 分享 收藏
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A comprehensive study of electronic, optical, mechanical and piezoelectric properties of Li-based tin-halide perovskites using GGA, meta-GGA and HSE06 methods 采用GGA、meta-GGA和HSE06方法对Li基锡卤化物钙钛矿的电子、光学、机械和压电性质进行全面研究 Lalengmawia, Celestine; Renthlei, Zosiamliana; Gurung, Shivraj; Zuala, Lalhriat; Pachuau, Lalrinthara; Singh, Ningthoujam Surajkumar; Vanchhawng, Lalmuanpuia; Gopi, Karthik; Yvaz, A. 分享 收藏
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A Thorough Investigation of Electronic, Optical, Mechanical, and Thermodynamic Properties of Stable Glasslike Sodium Germanate under Compressive Hydrostatic Pressure: Ab Initio Study Renthlei, Zosiamliana; Prasad, Mattipally; Sivakumar, Juluru; Zuala, Lalhriat; Pachuau, Lalrinthara; Devi, Yengkhom Rangeela; Singh, Ningthoujam Surajkumar; Abdurakhmanov, Gulmurza; Laref, Amel; Rai, Dibya Prakash 分享 收藏
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Theoretical Study of ZnS Monolayer Adsorption Behavior for CO and HF Gas Molecules Chhana, Lalmuan; Lalroliana, Bernard; Tiwari, Ramesh Chandra; Chettri, Bhanu; Pachuau, Lalrinthara; Gurung, Shivraj; Vanchhawng, Lalmuanpuia; Rai, Dibya Prakash; Zuala, Lalhriat; Madaka, Ramakrishna 分享 收藏
Pressure-Induced Enhanced Optical Absorption in Sulvanite Compound Cu3TaX4 (X = S, Se, and Te): An ab Initio Study Joshi, Himanshu; Shankar, Amit; Limbu, Nihal; Ram, Mahesh; Laref, Amel; Patra, Prasanta Kumar; Ismailova, Oksana Bakhtiyarovna; Zuala, Lalhriat; Chatterjee, Suman; Rai, Dibya Prakash 分享 收藏
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