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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]:1 TC[Scopus]:1  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]:11 TC[Scopus]:11  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]:12 TC[Scopus]:16  IF:13.0/13.5 | Submit date：2024/02/22
First-principles Calculations  Multidentate Ligands  Perovskite Quantum Dots  Stability Issue  White Light-emitting Diodes  
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]:1 TC[Scopus]:1  IF:6.5/4.5 | Submit date：2024/05/16
2d Materials  First-principles Calculations  Phonon  
Facile and Stable CuInO2 Nanoparticles for Efficient Electrochemical CO2 Reduction Journal article
Yin, Lihong, Li, Zhiqiang, Feng, Jinxian, Zhou, Pengfei, Qiao, Lulu, Liu, Di, Yi, Zhibin, Ip, Weng Fai, Luo, Guangfu, Pan, Hui. Facile and Stable CuInO2 Nanoparticles for Efficient Electrochemical CO2 Reduction[J]. ACS Applied Materials and Interfaces, 2023, 15(40), 47135-47144.
Authors:  Yin, Lihong;  Li, Zhiqiang;  Feng, Jinxian;  Zhou, Pengfei;  Qiao, Lulu; et al.
Favorite | TC[WOS]:8 TC[Scopus]:8  IF:8.3/8.7 | Submit date：2024/01/10
Cuino2 Nanoparticles  Electrocatalysts  Electrochemical Co2 Reduction Reaction  First-principles Calculations  Hydrogen Evolution Reaction  
Fast Intercalation of Lithium in Semi-Metallic γ-GeSe Nanosheet: A New Group-IV Monochalcogenide for Lithium-Ion Battery Application Journal article
Zheng Shu, Xiangyue Cui, Bowen Wang, Hejin Yan, Yongqing Cai. Fast Intercalation of Lithium in Semi-Metallic γ-GeSe Nanosheet: A New Group-IV Monochalcogenide for Lithium-Ion Battery Application[J]. ChemSusChem, 2022, 15(15).
Authors:  Zheng Shu;  Xiangyue Cui;  Bowen Wang;  Hejin Yan;  Yongqing Cai
Favorite | TC[WOS]:14 TC[Scopus]:13  IF:7.5/8.4 | Submit date：2022/08/05
Energy Storage  Exfoliation  First-principles Calculations  Lithium Intercalation  Lithium-ion Batteries  
Insight into adsorption mechanism of water on tricalcium silicate from first-principles calculations Journal article
Li, Yunjian, Ai, Haoqiang, Lo, Kin Ho, Kong, Youchao, Pan, Hui, Li, Zongjin. Insight into adsorption mechanism of water on tricalcium silicate from first-principles calculations[J]. Cement and Concrete Research, 2021, 152, 106684.
Authors:  Li, Yunjian;  Ai, Haoqiang;  Lo, Kin Ho;  Kong, Youchao;  Pan, Hui; et al.
Favorite | TC[WOS]:15 TC[Scopus]:15  IF:10.9/14.4 | Submit date：2022/07/27
Hydration  Adsorption Mechanism  First-principles Calculations  Interface  Ca3sio5  
Insight into adsorption mechanism of water on tricalcium silicate from first-principles calculations Journal article
Li, Yunjian, Ai, Haoqiang, Lo, Kin Ho, Kong, Youchao, Pan, Hui, Li, Zongjin. Insight into adsorption mechanism of water on tricalcium silicate from first-principles calculations[J]. Cement and Concrete Research, 2021, 152, 106684.
Authors:  Li, Yunjian;  Ai, Haoqiang;  Lo, Kin Ho;  Kong, Youchao;  Pan, Hui; et al.
Favorite | TC[WOS]:15 TC[Scopus]:15  IF:10.9/14.4 | Submit date：2022/03/04
Adsorption Mechanism  Ca3sio5  First-principles Calculations  Hydration  Interface  
Combined Experimental and Theoretical Assessment of WXy (X = C, N, S, P) for Hydrogen Evolution Reaction Journal article
Rui Tong, Yuanju Qu, Qing Zhu, Xina Wang, Yunhao Lu, Shuangpeng Wang, Hui Pan. Combined Experimental and Theoretical Assessment of WXy (X = C, N, S, P) for Hydrogen Evolution Reaction[J]. ACS Applied Energy Materials, 2020, 3(1), 1082-1088.
Authors:  Rui Tong;  Yuanju Qu;  Qing Zhu;  Xina Wang;  Yunhao Lu; et al.
Favorite | TC[WOS]:37 TC[Scopus]:34  IF:5.4/5.9 | Submit date：2021/03/09
First-principles Calculations  Her  Overpotential  W-based Compounds  Wc1- x