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Electrochemical reduction of CO2 on pure and doped Cu2O(1 1 1) Journal article
Liu, Hongling, Liu, Di, Yu, Zhichao, Bai, Haoyun, Pan, Hui. Electrochemical reduction of CO2 on pure and doped Cu2O(1 1 1)[J]. Journal of Colloid and Interface Science, 2025, 683, 170-177.
Authors:  Liu, Hongling;  Liu, Di;  Yu, Zhichao;  Bai, Haoyun;  Pan, Hui
Favorite | TC[WOS]:0 TC[Scopus]:0  IF:9.4/8.2 | Submit date：2025/01/22
Electrochemical Co2 Reduction  Cu2o(1 1 1)  P-block Metal Doping  Formic Acid  First-principles Calculations  
Emergent superconductivity in clathrate Sr(B,C)9 at low pressures Journal article
Zhang, Dandan, Bhullar, Mangladeep, Cui, Xiangyue, Zhang, Miao, Wang, Hui, Yao, Yansun. Emergent superconductivity in clathrate Sr(B,C)9 at low pressures[J]. Computational Materials Science, 2025, 246, 113419.
Authors:  Zhang, Dandan;  Bhullar, Mangladeep;  Cui, Xiangyue;  Zhang, Miao;  Wang, Hui; et al.
Favorite | TC[WOS]:0 TC[Scopus]:1  IF:3.1/3.2 | Submit date：2025/01/22
Boron-carbon Clathrates  Electronic Structure  First Principles  Mechanical Properties  Superconductivity  
Solution-processed CsPbBr3 perovskite films via CsBr intercalated PbBr2 intermediate for high-performance photodetectors towards underwater wireless optical communication Journal article
Zhu, Haiyang, Chen, Hongfei, Fei, Jianjian, Deng, Yutong, Yang, Tian, Chen, Pinhao, Liang, Ying, Cai, Yongqing, Zhu, Lu, Huang, Zhanfeng. Solution-processed CsPbBr3 perovskite films via CsBr intercalated PbBr2 intermediate for high-performance photodetectors towards underwater wireless optical communication[J]. Nano Energy, 2024, 125, 109513.
Authors:  Zhu, Haiyang;  Chen, Hongfei;  Fei, Jianjian;  Deng, Yutong;  Yang, Tian; et al.
Favorite | TC[WOS]:5 TC[Scopus]:6  IF:16.8/16.3 | Submit date：2024/05/16
All-inorganic Perovskite  Cspbbr3 Perovskite  Perovskite Photodetectors  Pbbr2 Morphology Control  First-principles Calculation  
Orbital hybridization and defective states of vacancy defects in AlN Journal article
Yan, Xuefei, Wang, Bowen, Yan, Hejin, Huan, Changmeng, Cai, Yongqing, Ke, Qingqing. Orbital hybridization and defective states of vacancy defects in AlN[J]. Materials Today Communications, 2024, 39, 109063.
Authors:  Yan, Xuefei;  Wang, Bowen;  Yan, Hejin;  Huan, Changmeng;  Cai, Yongqing; et al.
Favorite | TC[WOS]:0 TC[Scopus]:2  IF:3.7/3.8 | Submit date：2024/05/16
Aluminum Nitride  Antibonding Coupling  First Principles  Orbital Hybridization  Vacancy  
Ferroelasticity in Two-Dimensional Hybrid Ruddlesden-Popper Perovskites Mediated by Cross-Plane Intermolecular Coupling and Metastable Funnel-like Phases Journal article
Kripalani, Devesh R., Guan, Qiye, Yan, Hejin, Cai, Yongqing, Zhou, Kun. Ferroelasticity in Two-Dimensional Hybrid Ruddlesden-Popper Perovskites Mediated by Cross-Plane Intermolecular Coupling and Metastable Funnel-like Phases[J]. ACS NANO, 2024, 18(22), 14187-14197.
Authors:  Kripalani, Devesh R.;  Guan, Qiye;  Yan, Hejin;  Cai, Yongqing;  Zhou, Kun
Favorite | TC[WOS]:2 TC[Scopus]:2  IF:15.8/16.2 | Submit date：2024/06/05
Electronic Properties  Ferroelasticity  First-principles Calculations  Metadynamics Simulations  Organic−inorganic Hybrid Perovskites  Phase Transitions  Two-dimensional Materials  
压力下超导 RbBSi 化合物的预测 Journal article
Liu, Jinyu, Cui, Xiangyue, Liu, Ailing, Cheng, Xiaoran, Wang, Xingyu, Wang, Yujia, Zhang, Miao. 压力下超导 RbBSi 化合物的预测[J]. Gaoya Wuli Xuebao/Chinese Journal of High Pressure Physics, 2024, 38(2), 020107.
Authors:  Liu, Jinyu;  Cui, Xiangyue;  Liu, Ailing;  Cheng, Xiaoran;  Wang, Xingyu; et al.
Favorite | TC[Scopus]:0 | Submit date：2024/06/05
Alkali-metal Boron-silicide  Crystal Structure Prediction  First-principles Calculations  High-pressure  
GaSe/YAlS3: A type-II van der Waals heterostructure with ultrahigh solar-to-hydrogen efficiency for photocatalytic water splitting Journal article
Li, Pei Yue, Yuan, Jun Hui, Wang, Jiafu, Wang, Yuan, Zhang, Pan. GaSe/YAlS3: A type-II van der Waals heterostructure with ultrahigh solar-to-hydrogen efficiency for photocatalytic water splitting[J]. International Journal of Hydrogen Energy, 2024, 55, 1254-1264.
Authors:  Li, Pei Yue;  Yuan, Jun Hui;  Wang, Jiafu;  Wang, Yuan;  Zhang, Pan
Favorite | TC[WOS]:14 TC[Scopus]:15  IF:8.1/7.3 | Submit date：2024/02/22
First-principles Calculations  Intrinsic Electric Field  Photocatalytic Water Splitting  Solar-to-hydrogen  Two-dimensional Materials  
In situ and General Multidentate Ligand Passivation Achieves Efficient and Ultra-Stable CsPbX3 Perovskite Quantum Dots for White Light-Emitting Diodes Journal article
Liu, Yongfeng, Shao, Xiuwen, Gao, Zhaoju, Xie, Qingyu, Ying, Yupeng, Zhu, Xiaolin, Pan, Zhangcheng, Yang, Jinpeng, Lin, Hao, Tang, Xiaosheng, Chen, Weiwei, Pei, Wei, Tu, Yusong. In situ and General Multidentate Ligand Passivation Achieves Efficient and Ultra-Stable CsPbX3 Perovskite Quantum Dots for White Light-Emitting Diodes[J]. Small, 2024, 20(3), 2305664.
Authors:  Liu, Yongfeng;  Shao, Xiuwen;  Gao, Zhaoju;  Xie, Qingyu;  Ying, Yupeng; et al.
Favorite | TC[WOS]:16 TC[Scopus]:19  IF:13.0/13.5 | Submit date：2024/02/22
First-principles Calculations  Multidentate Ligands  Perovskite Quantum Dots  Stability Issue  White Light-emitting Diodes  
Electronic and magnetic properties of layered M3Si2Te6 (M = alkaline earth and transition metals) Journal article
Li, Bowen, Bai, Haoyun, Yu, Zhichao, Li, Yutong, Kwok, Chi Tat, Feng, Wenlin, Wang, Shuangpeng, Ng, Kar Wei. Electronic and magnetic properties of layered M3Si2Te6 (M = alkaline earth and transition metals)[J]. Journal of Physics Condensed Matter, 2023, 36(6), 065801.
Authors:  Li, Bowen;  Bai, Haoyun;  Yu, Zhichao;  Li, Yutong;  Kwok, Chi Tat; et al.
Favorite | TC[WOS]:0 TC[Scopus]:0  IF:2.3/2.2 | Submit date：2024/02/22
Anisotropy  First-principles  Layered Structures  
Strong anisotropy of thermal transport in the monolayer of a new puckered phase of PdSe Journal article
Shu, Zheng, Xu, Huifang, Yan, Hejin, Cai, Yongqing. Strong anisotropy of thermal transport in the monolayer of a new puckered phase of PdSe[J]. Frontiers of Physics, 2023, 19(3), 33202.
Authors:  Shu, Zheng;  Xu, Huifang;  Yan, Hejin;  Cai, Yongqing
Favorite | TC[WOS]:2 TC[Scopus]:2  IF:6.5/4.5 | Submit date：2024/05/16
2d Materials  First-principles Calculations  Phonon