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Dong Xiao.Density functional theory on reaction mechanism between p-doped LiNH2clusters and LiH and a new hydrogen storage and desorption mechanism. Acta Physica Sinica, 2023, 72(15): 153101.doi:10.7498/aps.72.20230374 |
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Li Teng, Qiu Wen-Ting, Gong Shen.Phase-field method based simulation of martensitic transformation in porous alloys. Acta Physica Sinica, 2023, 72(14): 148102.doi:10.7498/aps.72.20230212 |
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Huang Hong-Fei, Yao Yang, Yao Cheng-Jun, Hao Xiang, Wu Yin-Zhong.Doping effect and ferroelectricity of nanoribbons of In2Se3monolayer. Acta Physica Sinica, 2022, 71(19): 197701.doi:10.7498/aps.71.20220654 |
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Qi Hai-Dong, Wang Jing, Chen Zhong-Jun, Wu Zhong-Hua, Song Xi-Ping.Influence of temperature on lattice constants of martensite and ferrite. Acta Physica Sinica, 2022, 71(9): 098301.doi:10.7498/aps.71.20211954 |
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Zhang Feng, Lian Sen, Wang Ming-Yue, Chen Xue, Yin Ji-Kang, He Lei, Pan Hua-Qing, Ren Jun-Feng, Chen Mei-Na.Doping and strain effect on hydrogen evolution reaction catalysts of NiP2. Acta Physica Sinica, 2021, 70(14): 148802.doi:10.7498/aps.70.20210298 |
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Du Jian-Bin, Zhang Qian, Li Qi-Feng, Tang Yan-Lin.Investigation of external electric field effect on C24H38O4 molecule by density functional theory. Acta Physica Sinica, 2018, 67(6): 063102.doi:10.7498/aps.67.20172022 |
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Wan Ya-Zhou, Gao Ming, Li Yong, Guo Hai-Bo, Li Yong-Hua, Xu Fei, Ma Zhong-Quan.First principle study of ternary combined-state and electronic structure in amorphous silica. Acta Physica Sinica, 2017, 66(18): 188802.doi:10.7498/aps.66.188802 |
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Tao Peng-Cheng, Huang Yan, Zhou Xiao-Hao, Chen Xiao-Shuang, Lu Wei.First principles investigation of the tuning in metal-MoS2 interface induced by doping. Acta Physica Sinica, 2017, 66(11): 118201.doi:10.7498/aps.66.118201 |
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Fan Wei, Zeng Zhi.First-principles studies on the properties of Cu2ZnSnS4 grain-boundaries due to photovoltaic effect. Acta Physica Sinica, 2015, 64(23): 238801.doi:10.7498/aps.64.238801 |
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Yang Zhen-Qing, Bai Xiao-Hui, Shao Chang-Jin.Density functional theory studies of (TiO2)12 quantum ring and its electronic properties when doped with transition metal compounds. Acta Physica Sinica, 2015, 64(7): 077102.doi:10.7498/aps.64.077102 |
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Li Zong-Bao, Wang Xia, Fan Shuai-Wei.Research of the synergistic effects in Cu/N co-doped TiO2 surface：A DFT calculation. Acta Physica Sinica, 2014, 63(15): 157102.doi:10.7498/aps.63.157102 |
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Zheng Shu-Wen, Fan Guang-Han, He Miao, Zhao Ling-Zhi.Theoretical study of the effect of W-doping on the conductivity of β-Ga2O3. Acta Physica Sinica, 2014, 63(5): 057102.doi:10.7498/aps.63.057102 |
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Ren Guo-Hao, Pei Yu, Wu Yun-Tao, Chen Xiao-Feng, Li Huan-Ying, Pan Shang-Ke.Influence of Ce doping concentration on the luminescence properties of LaCl3：Ce scintillation crystals. Acta Physica Sinica, 2014, 63(3): 037802.doi:10.7498/aps.63.037802 |
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Xie Xiao-Dong, Hao Yu-Ying, Zhang Ri-Guang, Wang Bao-Jun.Lithium-doped tris (8-hydroxyquinoline) aluminum studied by density functional theory. Acta Physica Sinica, 2012, 61(12): 127201.doi:10.7498/aps.61.127201 |
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Jin Rong, Chen Xiao-Hong.Structure and properties of ZrnPd clusters by density-functional theory. Acta Physica Sinica, 2010, 59(10): 6955-6962.doi:10.7498/aps.59.6955 |
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Ren Guo-Hao, Chen Xiao-Feng, Mao Ri-Hua, Shen Ding-Zhong.Luminescence characteristics of lead tungstate (PbWO4) scintillation crystal doped with fluorine anions. Acta Physica Sinica, 2010, 59(7): 4812-4817.doi:10.7498/aps.59.4812 |
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Yang Pei-Fang, Hu Juan-Mei, Teng Bo-Tao, Wu Feng-Min, Jiang Shi-Yu.Density functional theory study of rhodium adsorption on single-wall carbon nanotubes. Acta Physica Sinica, 2009, 58(5): 3331-3337.doi:10.7498/aps.58.3331 |
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Gao Jian-Sen, Zhang Ning.Influence of iron doping level upon magnetoelectric coupling in BaTi1-zFezO3+δ-Tb1-xDyxFe2-y bilayer composites. Acta Physica Sinica, 2008, 57(12): 7872-7877.doi:10.7498/aps.57.7872 |
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Zeng Zhen-Hua, Deng Hui-Qiu, Li Wei-Xue, Hu Wang-Yu.Density function theory calculation of oxygen adsorption on Au(111) surface. Acta Physica Sinica, 2006, 55(6): 3157-3164.doi:10.7498/aps.55.3157 |
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Ye Zhen-Cheng, Cai Jun, Zhang Shu-Ling, Liu Hong-Lai, Hu Ying.Studies on the density profiles of square-well chain fluid confined in a slit pore by density functional theory. Acta Physica Sinica, 2005, 54(9): 4044-4052.doi:10.7498/aps.54.4044 |
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