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SaveMachine learning and first-principles study of non-lead-halogen Cs2NaB'Cl6 (B' = In, Cr, Y, Tb) double halide perovskites with optoelectronic properties
Chen, Changcheng; Du, Yuxi; Xu, Yaxin; Wang, Zhengjun; Tuo, Yali; Han, Zhao; Yun, Xiongfei; Shi, Shaohang; Xie, Jiangzhou; Gao, Shuli; Chen, Wen; Dong, Chao; Guan, Xiaoning; Liu, Gang; Lu, Pengfei
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SaveMachine learning, theoretical exploration and device simulation of Cs2NaXCl6 (X = Bi, In, Sb, Sc) double halide perovskites with spatial applications
Chen, Changcheng; Tuo, Yali; Wang, Zhengjun; Sun, Minghong; Du, Yuxi; Han, Zhao; Yun, Xiongfei; Shi, Shaohang; Xie, Jiangzhou; Gao, Shuli; Chen, Wen; Dong, Chao; Guan, Xiaoning; Liu, Gang; Lu, Pengfei
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SaveA theoretical investigation of transition metal doping-engineered MoSi2N4 2 N 4 materials as highly efficient photocatalysts for water splitting
Hao, Jinbo; Li, Yuanzi; Jia, Baonan; Zhang, Xinhui; Zhang, Chunling; Wu, Ge; Gao, Shuli; Ma, Yirong; Zhang, Bixuan; Lu, Pengfei
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SaveFlexibility potential of Cs 2 BX 6 (B = Hf, Sn, Pt, Zr, Ti; X = I, Br, Cl) with application in photovoltaic devices and radiation detectors
Wang, Songya; Chen, Changcheng; Shi, Shaohang; Zhang, Ziyi; Cai, Yan; Gao, Shuli; Chen, Wen; Guo, Shuangna; Abduryim, Elyas; Dong, Chao; Guan, Xiaoning; Liu, Ying; Liu, Gang; Lu, Pengfei
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SaveTheoretical investigations of double perovskite Rb2AgBiX6 (X = Cl, Br, I) for solar cell and photocatalysis applications
Guo, Shuangna; Chen, Changcheng; Zhang, Ziyi; Cai, Yan; Wang, Songya; Gao, Shuli; Chen, Wen; Abduryim, Elyas; Dong, Chao; Guan, Xiaoning; Liu, Ying; Lu, Pengfei
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SaveNovel Boron-Doped Biphenylene Network as High-Capacity Anodes for Metal Ions Batteries: From Monolayer to Bilayer Structure
Abduryim, Elyas; Chen, Changcheng; Gao, Linsong; Guo, Shuangna; Wang, Songya; Zhang, Ziyi; Cai, Yan; Gao, Shuli; Chen, Wen; Guan, Xiaoning; Liu, Ying; Liu, Gang; Lu, Pengfei
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SaveTheoretical exploration of CO2 photocatalytic reduction using single atom gold nanoparticles (Au0) modified SrTi0.875Hf0.125O3
Cai, Yan; Chen, Changcheng; Chen, Feng; Wang, Songya; Zhang, Ziyi; Gao, Shuli; Guo, Shuangna; Chen, Wen; Abduryim, Elyas; Liu, Ying; Guan, Xiaoning; Liu, Gang; Lu, Pengfei
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SaveTwo-dimensional PC3 monolayer as promising hosts of Li-ion storage: A first-principles calculations study
Chen, Changcheng; Gao, Linsong; Abduryim, Elyas; Kuai, Yue; Zhang, Ziyi; Cai, Yan; Gao, Shuli; Chen, Wen; Guan, Xiaoning; Liu, Ying; Lu, Pengfei
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SaveEfficient thermoelectric properties and high UV absorption of stable zinc-doped all-inorganic perovskite for BIPV applications in multiple scenarios
Wang, Songya; Chen, Changcheng; Zhang, Ziyi; Cai, Yan; Zhang, Yirui; Gao, Shuli; Chen, Wen; Guo, Shuangna; Abduryim, Elyas; Dong, Chao; Guan, Xiaoning; Liu, Ying; Lu, Pengfei
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SaveImpact of alkaline-earth doping on the mechanical, electronic, optical and photocatalytic properties of CsPb0.875AE0.125Br3 (AE = Be, Mg, Ca, Sr and Ba): Insights from DFT perspective
Chen, Changcheng; Zhang, Ziyi; Zhang, Yirui; Wang, Songya; Cai, Yan; Gao, Shuli; Chen, Wen; Guo, Shuangna; Abduryim, Elyas; Dong, Chao; Guan, Xiaoning; Liu, Ying; Lu, Pengfei
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SaveInvestigation of Vacancy-Ordered Double Perovskite Halides A2Sn1-xTixY6 (A = K, Rb, Cs; Y = Cl, Br, I): Promising Materials for Photovoltaic Applications
Chen, Wen; Liu, Gang; Dong, Chao; Guan, Xiaoning; Gao, Shuli; Hao, Jinbo; Chen, Changcheng; Lu, Pengfei
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SaveTransition metal embedded in nonmetal-doped T-carbon [110]: A superior synergistic trifunctional electrocatalyst for HER, OER and ORR
Zhao, Zhengqin; Hao, Jinbo; Jia, Baonan; Zhang, Xinhui; Wu, Ge; Zhang, Chunling; Li, Long; Gao, Shuli; Ma, Yirong; Li, Yuanzi; Lu, Pengfei
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SaveTwin-Graphene: A Promising Anode Material for Lithium-Ion Batteries with Ultrahigh Specific Capacity
Gao, Shuli; Abduryim, Elyas; Chen, Changcheng; Dong, Chao; Guan, Xiaoning; Guo, Shuangna; Kuai, Yue; Wu, Ge; Chen, Wen; Lu, Pengfei
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SaveTwo-dimensional van der Waals layered VSi2N4 as anode materials for alkali metal (Li, Na and K) ion batteries
Gao, Shuli; Wei, Feng; Jia, Baonan; Chen, Changcheng; Wu, Ge; Hao, Jinbo; Chen, Wen; Wu, Liyuan; Zou, Weixia; Lu, Pengfei
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SaveNitrogen-doped or boron-doped twin T-graphene as advanced and reversible hydrogen storage media
Chen, Feng; Zhang, Xinhui; Guan, Xiaoning; Gao, Shuli; Hao, Jinbo; Li, Long; Yuan, Yazhao; Zhang, Chunling; Chen, Wen; Lu, Pengfei
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SaveA novel lithium decorated N-doped 4,6,8-biphenylene for reversible hydrogen storage: Insights from density functional theory
Zhang, Xinhui; Chen, Feng; Jia, Baonan; Guo, Ziyi; Hao, Jinbo; Gao, Shuli; Wu, Ge; Gao, Le; Lu, Pengfei
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