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Unlocking surface octahedral tilt in two-dimensional Ruddlesden-Popper perovskites Journal article
Nature Communications, 2022,Volume: 13,Issue: 1
Authors:  Shao, Yan;  Gao, Wei;  Yan, Hejin;  Li, Runlai;  Abdelwahab, Ibrahim;  Chi, Xiao;  Rogée, Lukas;  Zhuang, Lyuchao;  Fu, Wei;  Lau, Shu Ping;  Yu, Siu Fung;  Cai, Yongqing;  Loh, Kian Ping;  Leng, Kai
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Anion induced bottom surface passivation for high performance perovskite solar cell Journal article
Chemical Engineering Journal, 2022,Volume: 442
Authors:  Li, Shengwen;  Xia, Junmin;  Liang, Chao;  Wen, Zhaorui;  Mu, Zhen;  Wang, Kaiyang;  Gu, Hao;  Mei, Shiliang;  Pan, Hui;  Chen, Jiangzhao;  Xing, Guichuan;  Chen, Shi
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Anion passivation  Bottom surface  Crystallinity improvement  Density functional theory  Interfacial modification  Perovskite solar cell  
Multiscale investigation of magnetic field distortion on surface of ferromagnetic materials caused by stress concentration for metal magnetic memory method Journal article
Computational Materials Science, 2022,Volume: 209
Authors:  Qiu, Guotao;  Cai, Yongqing;  Li, Zongjin
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Finite Element Method  First-principles calculation  Metal Magnetic Memory  Micromagnetics  Multiscale Modeling  
Two-Dimensional Heterostructure of MoS2/BA2PbI42D Ruddlesden-Popper Perovskite with an S Scheme Alignment for Solar Cells: A First-Principles Study Journal article
ACS Applied Electronic Materials, 2022,Volume: 4,Issue: 4,Page: 1939-1948
Authors:  Xia, Junmin;  Liang, Chao;  Gu, Hao;  Mei, Shiliang;  Cai, Yongqing;  Xing, Guichuan
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heterostructure  photocatalyst  S scheme  solar cells  two-dimensional materials  
Crystal growth engineering and origin of the weak ferromagnetism in antiferromagnetic matrix of orthochromates from t-e orbital hybridization Journal article
iScience, 2022,Volume: 25,Issue: 4
Authors:  Zhu, Yinghao;  Xia, Junchao;  Wu, Si;  Sun, Kaitong;  Yang, Yuewen;  Zhao, Yanling;  Kan, Hei Wun;  Zhang, Yang;  Wang, Ling;  Wang, Hui;  Fang, Jinghong;  Wang, Chaoyue;  Wu, Tong;  Shi, Yun;  Yu, Jianding;  Zhang, Ruiqin;  Li, Hai Feng
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Condensed Matter Physics  Crystal Engineering  Magnetism  
Surface reconstruction establishing Mott-Schottky heterojunction and built-in space-charging effect accelerating oxygen evolution reaction Journal article
Nano Research, 2022,Volume: 15,Issue: 4,Page: 2952-2960
Authors:  Kang, Yao;  Wang, Shuo;  Hui, Kwan San;  Wu, Shuxing;  Dinh, Duc Anh;  Fan, Xi;  Bin, Feng;  Chen, Fuming;  Geng, Jianxin;  Cheong, Weng Chon Max;  Hui, Kwun Nam
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Dynamic Migration  f Anions  Nickel Hydroxides  Oxygen Evolution Reaction (Oer)  Surface Reconstruction  
Two-Dimensional Dirac Nodal Line Carbon Nitride to Anchor Single-Atom Catalyst for Oxygen Reduction Reaction Journal article
ChemSusChem, 2022,Volume: 15,Issue: 6
Authors:  Li, Feifei;  Ai, Haoqiang;  Shen, Shiying;  Geng, Jiazhong;  Ho Lo, Kin;  Pan, Hui
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Carbon Nitride  Density Functional Calculations  Electrocatalysis  Oxygen Reduction Reaction  Semimetals  
Unified ab initio description of Fröhlich electron-phonon interactions in two-dimensional and three-dimensional materials Journal article
Physical Review B, 2022,Volume: 105,Issue: 11
Authors:  Sio, Weng Hong;  Giustino, Feliciano
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Strong Edge Stress in Molecularly Thin Organic-Inorganic Hybrid Ruddlesden-Popper Perovskites and Modulations of Their Edge Electronic Properties Journal article
ACS Nano, 2022,Volume: 16,Issue: 1,Page: 261-270
Authors:  Kripalani, Devesh R.;  Cai, Yongqing;  Lou, Jun;  Zhou, Kun
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2d Materials  Density Functional Theory  Edge Stress  Electronic Properties  Organic-inorganic Hybrid Perovskites  Point Defects  Ruddlesden-popper Phase  
Co2N0.67/MoO2Heterostructure as High-Efficiency Electrocatalysts for the Hydrogen Evolution Reaction Journal article
ACS Applied Energy Materials, 2022,Volume: 5,Issue: 1,Page: 440-448
Authors:  Tong, Rui;  Xu, Miao;  Huang, Haiming;  Zhang, Chuankun;  Ma, Yanan;  Wang, Xina;  Hu, Xiaosai;  Qu, Yuanju;  Wang, Shuangpeng;  Pan, Hui
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Co2n0.67/moo2/mf  Dft  Her  Moo2  Overpotential