Injection of oxygen vacancies in the bulk lattice of layered cathodes von Yan, Pengfei, Zheng, Jianming, Tang, Zhen-Kun, Devaraj, Arun, Chen, Guoying, Amine, Khalil, Zhang, Ji-Guang, Liu, Li-Min, Wang, Chongmin

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The oxygen vacancy in Li-ion battery cathode materials von Tang, Zhen-Kun, Xue, Yu-Feng, Teobaldi, Gilberto, Liu, Li-Min

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Enhanced optical absorption via cation doping hybrid lead iodine perovskites von Tang, Zhen-Kun, Xu, Zhi-Feng, Zhang, Deng-Yu, Hu, Shu-Xian, Lau, Woon-Ming, Liu, Li-Min

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Surface evolution of a Pt–Pd–Au electrocatalyst for stable oxygen reduction von Li, Jian, Yin, Hui-Ming, Li, Xi-Bo, Okunishi, Eiji, Shen, Yong-Li, He, Jia, Tang, Zhen-Kun, Wang, Wen-Xin, Yücelen, Emrah, Li, Chao, Gong, Yue, Gu, Lin, Miao, Shu, Liu, Li-Min, Luo, Jun, Ding, Yi

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Ultra-high photoelectric conversion efficiency and obvious carrier separation in photovoltaic ZnIn2X4 (X = S, Se, and Te) van der Waals heterostructures von Zheng, Liang, Yao-Zhong, Liu, Ze-Ting Gong, Jun-Yao, Li, Yong-Sheng, Yao, Zhen-Kun Tang, Xiao-Lin, Wei

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How spin state and oxidation number of transition metal atoms determine molecular adsorption: a first-principles case study for NH3 von Hua-Jian, Tan, Si, Rutong, Xi-Bo, Li, Zhen-Kun Tang, Xiao-Lin, Wei, Seriani, Nicola, Wen-Jin, Yin, Gebauer, Ralph

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Enhanced OER catalytic activity of single metal atoms supported by the pentagonal NiN2 monolayer: insight from density functional theory calculations von Dong-Yin, Sun, Long-Hui, Li, Guo-Tao, Yuan, Yu-Lou, Ouyang, Tan, Rui, Wen-Jin, Yin, Xiao-Lin, Wei, Zhen-Kun Tang

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P-block atom modified Sn(200) surface as a promising electrocatalyst for two-electron CO2 reduction: a first-principles study von Bo-Wen, Tang, Liu, Yu, Da-Wei, Deng, Xu, Ying, Wen, Bo, Zhen-Kun Tang, Xiao-Lin, Wei, Qing-Xia Ge, Wen-Jin, Yin

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The unique photoelectronic properties of the two-dimensional Janus MoSSe/WSSe superlattice: a first-principles study von Zhang, Huanhuan, Deng, Dawei, Zou, Dai-Feng, Li, Xi-Bo, Tang, Zhen-kun, Wei, Xiao-Lin, Ge, Qing-Xia, Yin, Wen-Jin

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Spatial separation of photo-generated electron-hole pairs in BiOBr/BiOI bilayer to facilitate water splitting von Tang, Zhen-Kun, Yin, Wen-Jin, Le Zhang, Wen, Bo, Zhang, Deng-Yu, Liu, Li-Min, Lau, Woon-Ming

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Enhanced optical absorption in two-dimensional Ruddlesden–Popper (C6H5CH2NH3)2PbI4 perovskites via biaxial strain and surface doping von Wen-Hui, Zhao, Zheng, Liang, Yao-Zhong, Liu, Zi-Qiang Deng, Yu-Lou, Ouyang, Tan, Rui, Yong-Sheng, Yao, Xiao-Lin, Wei, Zhen-Kun Tang

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Janus MoSSe Nanotubes: Tunable Band Gap and Excellent Optical Properties for Surface Photocatalysis von Tang, Zhen‐Kun, Wen, Bo, Chen, Mingyang, Liu, Li‐Min

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The Electronic Structure and Optical Properties of Two‐Dimensional BiOX–YO3 (X = Cl, Br, and I; Y = Mo, W) Heterostructures von Tang, Zhen‐Kun, Luo, Lin‐Tao, Deng, Xiao‐Hui, Zhang, Deng‐Yu, Chen, Mingyang

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Uncovering the Veil of the Degradation in Perovskite CH3NH3PbI3 upon Humidity Exposure: A First-Principles Study von Tong, Chuan-Jia, Geng, Wei, Tang, Zhen-Kun, Yam, Chi-Yung, Fan, Xiao-Li, Liu, Jiang, Lau, Woon-Ming, Liu, Li-Min

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Tunable band gap and magnetism of the two-dimensional nickel hydroxide von Tang, Zhen-Kun, Liu, Wei-Wei, Zhang, Deng-Yu, Lau, Woon-Ming, Liu, Li-Min

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Effect of surface composition on electronic properties of methylammonium lead iodide perovskite von Geng, Wei, Tong, Chuan-Jia, Tang, Zhen-Kun, Yam, ChiYung, Zhang, Yan-Ning, Lau, Woon-Ming, Liu, Li-Min

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First-Principles Study of Novel Two-Dimensional (C4H9NH3)2PbX4 Perovskites for Solar Cell Absorbers von Wang, Da, Wen, Bo, Zhu, Ya-Nan, Tong, Chuan-Jia, Tang, Zhen-Kun, Liu, Li-Min

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Unusual Li-Ion Transfer Mechanism in Liquid Electrolytes: A First-Principles Study von Tang, Zhen-Kun, Tse, John S, Liu, Li-Min

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Understanding the influence of bending on OER activity in metal phthalocyanines: A first-principles study von Zhou, Zhong-Peng, Hao, Ning-Jing, Zhang, Qian-Kui, Deng, Xiao-Hui, Zhang, Hui, Tang, Zhen-Kun, Tong, Chuan-Jia

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The Influence of Dipole Moments Induced by Organic Molecules and Domain Structures on the Properties of CH3NH3PbI3 Perovskite von Geng, Wei, Hu, Qi, Tong, Chuan‐Jia, Tang, Zhen‐Kun, Liu, Li‐Min

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