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Yang Hai-Lin, Chen Qi-Li, Gu Xing, Lin Ning. First-principles calculations of O-atom diffusion on fluorinated graphene. Acta Physica Sinica,
2023, 72(1): 016801.
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Yang Shun-Jie, Li Chun-Mei, Zhou Jin-Ping. First-principles study of magnetic disordering and alloying effects on phase stability and elastic constants of Co2CrZ (Z = Ga, Si, Ge) alloys. Acta Physica Sinica,
2022, 71(10): 106201.
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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 materials XTe2 (X = Pd, Pt) via first-principles calculations. Acta Physica Sinica,
2021, 70(11): 116301.
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Wang Yan, Cao Qian-Hui, Hu Cui-E, Zeng Zhao-Yi. First-principles calculations of high pressure phase transition of Ce-La-Th alloy. Acta Physica Sinica,
2019, 68(8): 086401.
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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 Li2CoSiO4 serving as cathode material for Li-ion batteries. Acta Physica Sinica,
2019, 68(18): 187101.
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Zheng Lu-Min, Zhong Shu-Ying, Xu Bo, Ouyang Chu-Ying. First-principles study of rare-earth-doped cathode materials Li2MnO3 in Li-ion batteries. Acta Physica Sinica,
2019, 68(13): 138201.
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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.
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Fang Cheng, Wang Hong, Shi Si-Qi. Research progress of electrochromic performances of WO3. Acta Physica Sinica,
2016, 65(16): 168201.
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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.
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Peng Qiong, He Chao-Yu, Li Jin, Zhong Jian-Xin. First-principles study of electronic properties of MoSi2 thin films. Acta Physica Sinica,
2015, 64(4): 047102.
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Meng Fan-Yi, Duan Shu-Kai, Wang Li-Dan, Hu Xiao-Fang, Dong Zhe-Kang. An improved WOx memristor model with synapse characteristic analysis. Acta Physica Sinica,
2015, 64(14): 148501.
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Li Rong, Luo Xiao-Ling, Liang Guo-Ming, Fu Wen-Sheng. First-principles study of influence of dopants Fe on the dehydrogenation properties of VH2. Acta Physica Sinica,
2011, 60(11): 117105.
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Tan Xing-Yi, Jin Ke-Xin, Chen Chang-Le, Zhou Chao-Chao. Electronic structure of YFe2B2by first-principles calculation. Acta Physica Sinica,
2010, 59(5): 3414-3417.
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Hu Fang, Ming Xing, Fan Hou-Gang, Chen Gang, Wang Chun-Zhong, Wei Ying-Jin, Huang Zu-Fei. First-principles study on the electronic structures of the ladder compound NaV2O4F. Acta Physica Sinica,
2009, 58(2): 1173-1178.
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Song Qing-Gong, Wang Yan-Feng, Song Qing-Long, Kang Jian-Hai, Chu Yong. First-principle study on the electronic structures of intercalation compound Ag1/4TiSe2. Acta Physica Sinica,
2008, 57(12): 7827-7832.
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Hou Qing-Yu, Zhang Yue, Chen Yue, Shang Jia-Xiang, Gu Jing-Hua. Effects of the concentration of oxygen vacancy of anatase on electric conducting performance studied by frist principles calculations. Acta Physica Sinica,
2008, 57(1): 438-442.
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Wu Hong-Li, Zhao Xin-Qing, Gong Sheng-Kai. Effect of Nb doping on electronic structure of TiO2/NiTi interface: A first-principle study. Acta Physica Sinica,
2008, 57(12): 7794-7799.
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Song Qing-Gong, Jiang En-Yong, Kang Jian-Hai. Staging effects on the structural and energetic properties of fast ionic conductor LixTiS2. Acta Physica Sinica,
2008, 57(5): 3093-3099.
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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.
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Gong Chang-Wei, Wang Yi-Nong, Yang Da-Zhi. Ab initio study of the martensitic transformation of NiTi shape memory alloys. Acta Physica Sinica,
2006, 55(6): 2877-2881.
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