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Shi Xiao-Hong, Hou Bin-Peng, Li Zhi-Shuo, Chen Jing-Jin, Shi Xiao-Wen, Zhu Zi-Zhong.Formation of oxygen vacancy clusters in Li-rich Mn-based cathode Materials of lithium-ion batteries: First-principles calculations. Acta Physica Sinica, 2023, 72(7): 078201.doi:10.7498/aps.72.20222300 |
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Jin Xin, Tao Lei, Zhang Yu-Yang, Pan Jin-Bo, Du Shi-Xuan.Research progress of novel properties in several van der Waals ferroelectric materials. Acta Physica Sinica, 2022, 71(12): 127305.doi:10.7498/aps.71.20220349 |
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Wu Hong-Fen, Feng Pan-Jun, Zhang Shuo, Liu Da-Peng, Gao Miao, Yan Xun-Wang.First-principles study of Fe atom adsorbed biphenylene monolayer. Acta Physica Sinica, 2022, 71(3): 036801.doi:10.7498/aps.71.20211631 |
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Yang Wei, Han Jiang-Chao, Cao Yuan, Lin Xiao-Yang, Zhao Wei-Sheng.Efficient spin injection in Fe3GeTe2/h-BN/graphene heterostructure. Acta Physica Sinica, 2021, 70(12): 129101.doi:10.7498/aps.70.20202136 |
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Wang Zhi-Qing, Yao Xiao-Ping, Shen Jie, Zhou Jing, Chen Wen, Wu Zhi.Micromechanism of ferroelectric fatigue and enhancement of fatigue resistance of lead zirconate titanate thin films. Acta Physica Sinica, 2021, 70(14): 146302.doi:10.7498/aps.70.20202196 |
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Liang Ting, Wang Yang-Yang, Liu Guo-Hong, Fu Wang-Yang, Wang Huai-Zhang, Chen Jing-Fei.First-principles investigations on gas adsorption properties of V-doped monolayer MoS2. Acta Physica Sinica, 2021, 70(8): 080701.doi:10.7498/aps.70.20202043 |
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Liu Zi-Yuan, Pan Jin-Bo, Zhang Yu-Yang, Du Shi-Xuan.First principles calculation of two-dimensional materials at an atomic scale. Acta Physica Sinica, 2021, 70(2): 027301.doi:10.7498/aps.70.20201636 |
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Wang Yan, Chen Nan-Di, Yang Chen, Zeng Zhao-Yi, Hu Cui-E, Chen Xiang-Rong.Thermoelectric transport properties of two-dimensional materialsXTe2(X= Pd, Pt) via first-principles calculations. Acta Physica Sinica, 2021, 70(11): 116301.doi:10.7498/aps.70.20201939 |
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.First principles study of Fe atom adsorbed biphenylene monolayer. Acta Physica Sinica, 2021, (): .doi:10.7498/aps.70.20211631 |
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Yan Xiao-Tong, Hou Yu-Hua, Zheng Shou-Hong, Huang You-Lin, Tao Xiao-Ma.First-principles study of effects of Ga, Ge and As doping on electrochemical properties and electronic structure of Li2CoSiO4serving as cathode material for Li-ion batteries. Acta Physica Sinica, 2019, 68(18): 187101.doi:10.7498/aps.68.20190503 |
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Zheng Lu-Min, Zhong Shu-Ying, Xu Bo, Ouyang Chu-Ying.First-principles study of rare-earth-doped cathode materials Li2MnO3in Li-ion batteries. Acta Physica Sinica, 2019, 68(13): 138201.doi:10.7498/aps.68.20190509 |
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Huang Bing-Quan, Zhou Tie-Ge, Wu Dao-Xiong, Zhang Zhao-Fu, Li Bai-Kui.Properties of vacancies and N-doping in monolayer g-ZnO: First-principles calculation and molecular orbital theory analysis. Acta Physica Sinica, 2019, 68(24): 246301.doi:10.7498/aps.68.20191258 |
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Zhang Wei, Chen Kai-Bin, Chen Zhen-Dong.First-principles study on Jahn-Teller effect in Cr monolayer film. Acta Physica Sinica, 2018, 67(23): 237301.doi:10.7498/aps.67.20181669 |
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Yang Ming-Yu, Yang Qian, Zhang Bo, Zhang Xu, Cai Song, Xue Yu-Long, Zhou Tie-Ge.Electronic structures, magnetic properties and spin-orbital coupling effects of aluminum nitride monolayers doped by 5d transition metal atoms: possible two-dimensional long-range magnetic orders. Acta Physica Sinica, 2017, 66(6): 063102.doi:10.7498/aps.66.063102 |
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Ye Hong-Jun, Wang Da-Wei, Jiang Zhi-Jun, Cheng Sheng, Wei Xiao-Yong.Ferroelectric phase transition of perovskite SnTiO3 based on the first principles. Acta Physica Sinica, 2016, 65(23): 237101.doi:10.7498/aps.65.237101 |
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Gao Miao, Kong Xin, Lu Zhong-Yi, Xiang Tao.First-principles study of electron-phonon coupling and superconductivity in compound Li2C2. Acta Physica Sinica, 2015, 64(21): 214701.doi:10.7498/aps.64.214701 |
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Liu Yue-Ying, Zhou Tie-Ge, Lu Yuan, Zuo Xu.First principles caculations of h-BN monolayer with group IA/IIA elements replacing B as impurities. Acta Physica Sinica, 2012, 61(23): 236301.doi:10.7498/aps.61.236301 |
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Li Xue-Mei, Han Hui-Lei, He Guang-Pu.Lattice dynamical, dielectric and thermodynamic properties of LiNH2 from first principles. Acta Physica Sinica, 2011, 60(8): 087104.doi:10.7498/aps.60.087104 |
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Zhang Xue-Jun, Gao Pan, Liu Qing-Ju.First-principles study on electronic structure and optical properties of anatase TiO2 codoped with nitrogen and iron. Acta Physica Sinica, 2010, 59(7): 4930-4938.doi:10.7498/aps.59.4930 |
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Song Qing-Gong, Jiang En-Yong, Pei Hai-Lin, Kang Jian-Hai, Guo Ying.First principles computational study on the stability of Li ion-vacancy two-dimensional ordered structures in intercalation compounds LixTiS2. Acta Physica Sinica, 2007, 56(8): 4817-4822.doi:10.7498/aps.56.4817 |