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Unraveling energetics and states of adsorbing oxygen species with MoS2 for modulated work function Journal article
Yan, Hejin, Chen, Hongfei, Cui, Xiangyue, Guan, Qiye, Wang, Bowen, Cai, Yongqing. Unraveling energetics and states of adsorbing oxygen species with MoS2 for modulated work function[J]. Nanoscale Horizons, 2024.
Authors:  Yan, Hejin;  Chen, Hongfei;  Cui, Xiangyue;  Guan, Qiye;  Wang, Bowen; et al.
Favorite | TC[WOS]:0 TC[Scopus]:0  IF:8.0/8.8 | Submit date：2024/12/05
Electronic structure of CsPbBr3 with isovalent doping and divacancies: the smallest metal Pb cluster Journal article
Cui, Xiangyue, Wang, Bowen, Zhang, Dandan, Chen, Hongfei, Yan, Hejin, Shu, Zheng, Cai, Yongqing. Electronic structure of CsPbBr3 with isovalent doping and divacancies: the smallest metal Pb cluster[J]. Journal of Materials Chemistry A, 2024, 13(3), 2227-2236.
Authors:  Cui, Xiangyue;  Wang, Bowen;  Zhang, Dandan;  Chen, Hongfei;  Yan, Hejin; et al.
Favorite | TC[WOS]:0 TC[Scopus]:0  IF:10.7/10.8 | Submit date：2024/12/26
Single Atomic Catalyst of Hydrogen Evolution Supported by Semimetallic γ-GeSe Journal article
Liang, Dan, Yan, Hejin, Cai, Yongqing. Single Atomic Catalyst of Hydrogen Evolution Supported by Semimetallic γ-GeSe[J]. Journal of Physical Chemistry C, 2024, 128(29), 12086-12092.
Authors:  Liang, Dan;  Yan, Hejin;  Cai, Yongqing
Favorite | TC[WOS]:0 TC[Scopus]:0  IF:3.3/3.5 | Submit date：2024/08/05
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  
Mechanism of Interaction of Water above the Methylammonium Lead Iodide Perovskite Nanocluster: Size Effect and Water-Induced Defective States Journal article
Huang, Jie, Wang, Bowen, Yan, Hejin, Cai, Yongqing. Mechanism of Interaction of Water above the Methylammonium Lead Iodide Perovskite Nanocluster: Size Effect and Water-Induced Defective States[J]. Journal of Physical Chemistry Letters, 2024, 15(2), 575-582.
Authors:  Huang, Jie;  Wang, Bowen;  Yan, Hejin;  Cai, Yongqing
Favorite | TC[WOS]:1 TC[Scopus]:1  IF:4.8/5.3 | Submit date：2024/02/22
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  
Promoted Electronic Coupling of Acoustic Phonon Modes in Doped Semimetallic MoTe2 Journal article
Cui, Xiangyue, Yan, Hejin, Yan, Xuefei, Zhou, Kun, Cai, Yongqing. Promoted Electronic Coupling of Acoustic Phonon Modes in Doped Semimetallic MoTe2[J]. ACS Nano, 2023, 17(17), 16530-16538.
Authors:  Cui, Xiangyue;  Yan, Hejin;  Yan, Xuefei;  Zhou, Kun;  Cai, Yongqing
Favorite | TC[WOS]:3 TC[Scopus]:2  IF:15.8/16.2 | Submit date：2024/01/10
Charge Doping  Electron−phonon Coupling  First-principles Calculation  Molybdenum Ditelluride  Superconductivity  Two-dimensional Materials  
High-Throughput Screening of Heterogeneous Transition Metal Dual-Atom Catalysts by Synergistic Effect for Nitrate Reduction to Ammonia Journal article
Shu,Zheng, Chen,Hongfei, Liu,Xing, Jia,Huaxian, Yan,Hejin, Cai,Yongqing. High-Throughput Screening of Heterogeneous Transition Metal Dual-Atom Catalysts by Synergistic Effect for Nitrate Reduction to Ammonia[J]. Advanced Functional Materials, 2023, 33(32).
Authors:  Shu,Zheng;  Chen,Hongfei;  Liu,Xing;  Jia,Huaxian;  Yan,Hejin; et al.
Favorite | TC[WOS]:40 TC[Scopus]:70  IF:18.5/19.6 | Submit date：2023/08/03
Dual-atom Catalysts  High-throughput Screening  Nitrate Reduction  
Recipe for the design of mixed cation lead halide perovskites: adsorption and charge transfer from A-site cations to PbI2 Journal article
Chen, Hongfei, Yan, Hejin, Cai, Yongqing. Recipe for the design of mixed cation lead halide perovskites: adsorption and charge transfer from A-site cations to PbI2[J]. Journal of Materials Chemistry A, 2023, 11(36), 19349-19359.
Authors:  Chen, Hongfei;  Yan, Hejin;  Cai, Yongqing
Favorite | TC[WOS]:6 TC[Scopus]:6  IF:10.7/10.8 | Submit date：2024/01/02