Effect of hydrostatic pressure on the structural, elastic, and optoelectronic properties of vacancy-ordered double perovskite Cs2PdBr6
Zhao, Xian-Hao, Wang, Fang, Hu, De-Yuan, Lu, Li-Min, Li, Li, Tang, Tian-Yu, Tang, Yan-Lin
Published in Journal of molecular modeling (01.10.2022)
Published in Journal of molecular modeling (01.10.2022)
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Journal Article
Study on the Structure, UV Spectrum, Dissociation and Active Sites of Trichlorotrifluoroethane (CFC-113A) Molecule under External Electric Field
Li, Li, Shi, Bin, Lu, Li-Min, Zhao, Xian-Hao, Hu, De-Yuan, Tang, Tian-Yu, Tang, Yan-Lin
Published in Russian Journal of Physical Chemistry A (01.09.2022)
Published in Russian Journal of Physical Chemistry A (01.09.2022)
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Journal Article
First-principles calculations to investigate the structural, electronic and optical properties of lead-free double perovskites Rb2SeI6 and K2SeI6
Hu, De-Yuan, Zhao, Xian-Hao, Tang, Tian-Yu, Lu, Li-Min, Li, Li, Gao, Li-Ke, Tang, Yan-Lin
Published in Solar energy (01.01.2022)
Published in Solar energy (01.01.2022)
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Journal Article
Exploring the structural, electronic and optical properties of vacancy-ordered double perovskites Cs2TlAsX6 (X = I, Br, Cl) based on first-principles
Hu, De-Yuan, Zhao, Xian-Hao, Tang, Tian-Yu, Lu, Li-Min, Li, Li, Gao, Li-Ke, Tang, Yan-Lin
Published in Physics letters. A (06.03.2022)
Published in Physics letters. A (06.03.2022)
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Journal Article
First-principles study on the structural, electronic and optical properties of vacancy-ordered double perovskites Cs2PtI6 and Rb2PtI6
Zhao, Xian-Hao, Wei, Xiao-Nan, Tang, Tian-Yu, Gao, Li-Ke, Xie, Quan, Lu, Li-Min, Tang, Yan-Lin
Published in Optical materials (01.04.2021)
Published in Optical materials (01.04.2021)
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Journal Article
Revealing structural, elastic, electronic and optical properties of potential perovskites K2CuBiX6 (X=Br, Cl) based on first-principles
Hu, De-Yuan, Zhao, Xian-Hao, Tang, Tian-Yu, Lu, Li-Min, Li, Li, Gao, Li-Ke, Tang, Yan-Lin
Published in Journal of solid state chemistry (01.06.2022)
Published in Journal of solid state chemistry (01.06.2022)
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Journal Article
Study on the structural, electronic and optical properties of double-perovskite halides Cs2AgSbX6 (X=I, Br, Cl) based on first-principles
Hu, De-Yuan, Zhao, Xian-Hao, Tang, Tian-Yu, Lu, Li-Min, Li, Li, Gao, Li-Ke, Tang, Yan-Lin
Published in Materials science in semiconductor processing (01.12.2022)
Published in Materials science in semiconductor processing (01.12.2022)
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Journal Article
Theoretical prediction of the structural, electronic and optical properties of vacancy-ordered double perovskites Tl2TiX6 (X = Cl, Br, I)
Zhao, Xian-Hao, Wei, Xiao-Nan, Tang, Tian-Yu, Xie, Quan, Gao, Li-Ke, Lu, Li-Min, Hu, De-Yuan, Li, Li, Tang, Yan-Lin
Published in Journal of solid state chemistry (01.01.2022)
Published in Journal of solid state chemistry (01.01.2022)
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Journal Article
First-principles study on the structural, elastic, electronic and optical properties of lead-free double perovskites Cs2CuBiX6 (XI, Br, Cl)
Hu, De-Yuan, Zhao, Xian-Hao, Tang, Tian-Yu, Lu, Li-Min, Li, Li, Gao, Li-Ke, Tang, Yan-Lin
Published in Materials today communications (01.12.2021)
Published in Materials today communications (01.12.2021)
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Journal Article
Predicting the structural, elastic, electronic, and optical properties of anti-perovskites X3SbP (X = Ca, Sr, Ba) via first-principles
Liang, Qi-Qi, Hu, De-Yuan, Zhao, Xian-Hao, Tang, Tian-Yu, Gao, Hua-Xu, Wu, Shi-Quan, Tang, Yan-Lin
Published in Chemical physics letters (01.12.2022)
Published in Chemical physics letters (01.12.2022)
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Journal Article
An ab-initio investigation of novel double halide perovskite Cs2InCoX6(X=F, Cl, Br) materials with direct band structure and broadband light absorption
Tang, Tian-Yu, Zhao, Xian-Hao, Hu, De-Yuan, Liang, Qi-Qi, Wei, Xiao-Nan, Tang, Yan-Lin
Published in Materials science in semiconductor processing (01.12.2022)
Published in Materials science in semiconductor processing (01.12.2022)
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Journal Article
Study on mechanical, electronic and optical properties of Pb-free double halide perovskites In2TiX6 (X = Cl, Br, I) for solar cells based on first-principles
Zhao, Xian-Hao, Tang, Yan-Lin, Tang, Tian-Yu, Diao, Xin-Feng, Gao, Li-Ke, Xie, Quan, Shi, Bin, Yuan, Li, Lu, Li-Min
Published in Materials today communications (01.03.2021)
Published in Materials today communications (01.03.2021)
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Journal Article
First-principles calculations to investigate structural, elastic, electronic and optical properties of lead-free perovskite derivatives Cs2SeX6 (X=Cl, Br, I)
Hu, De-Yuan, Zhao, Xian-Hao, Tang, Tian-Yu, Li, Li, Gao, Li-Ke, Tang, Yan-Lin
Published in Optical materials (01.09.2021)
Published in Optical materials (01.09.2021)
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Journal Article