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Wang Xue-Bing, Tang Chun-Mei, Xie Zi-Han, Yu Rui, Yan Jie, Jiang Cheng-Le. Theoretical research of toxic gases adsorbed by Mo-doped two-dimensional VS2 structure. Acta Physica Sinica,
2024, 73(1): 013101.
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Lu Yi-Lin, Dong Sheng-Jie, Cui Fang-Chao, Zhang Kai-Cheng, Liu Chun-Mei, Li Jie-Sen, Mao Zhuo. Theoretical prediction of C- and O-doped Hittorf’s violet phosphorene as bipolar magnetic semiconductor material. Acta Physica Sinica,
2024, 73(1): 016301.
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Zhang Leng, Zhang Peng-Zhan, Liu Fei, Li Fang-Zheng, Luo Yi, Hou Ji-Wei, Wu Kong-Ping. Carrier mobility in doped Sb2Se3 based on deformation potential theory. Acta Physica Sinica,
2024, 73(4): 047101.
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Dong Xiao. Density functional theory on reaction mechanism between p-doped LiNH2 clusters and LiH and a new hydrogen storage and desorption mechanism. Acta Physica Sinica,
2023, 72(15): 153101.
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Xu Qiang, Si Xue, She Wei-Han, Yang Guang-Min. Density functional theory study of supercapacitor for energy storage electrode materials. Acta Physica Sinica,
2021, 70(10): 107301.
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Wang Guan-Shi, Lin Yan-Ming, Zhao Ya-Li, Jiang Zhen-Yi, Zhang Xiao-Dong. Electronic and optical performances of (Cu, N) codoped TiO2/MoS2 heterostructure photocatalyst: Hybrid DFT (HSE06) study. Acta Physica Sinica,
2018, 67(23): 233101.
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Zhai Shun-Cheng, Guo Ping, Zheng Ji-Ming, Zhao Pu-Ju, Suo Bing-Bing, Wan Yun. First principle study of electronic structures and optical absorption properties of O and S doped graphite phase carbon nitride (g-C3N4)6 quantum dots. Acta Physica Sinica,
2017, 66(18): 187102.
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Ma Xia, Wang Jing. Study on resonance frequency of doping silicon nano-beam by theoretical model and molecular dynamics simulation. Acta Physica Sinica,
2017, 66(10): 106103.
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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.
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Lv Huan-Ling, Wang Jing. The multi-scale theoretical models of Young's modulus of doped monocrystalline silicon nano-film. Acta Physica Sinica,
2015, 64(23): 236103.
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Wang Qing-Bao, Zhang Zhong, Xu Xi-Jin, Lü Ying-Bao, Zhang Qin. Theoretical and experimental studies on N, Fe, La co-doped anatase TiO2 band adjustment. Acta Physica Sinica,
2015, 64(1): 017101.
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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.
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Wang Yan-Li, Su Ke-He, Yan Hong-Xia, Wang Xin. Investigation of C atom doped armchair (n, n) single walled BN nanotubes with density functional theory. Acta Physica Sinica,
2014, 63(4): 046101.
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Yu Ben-Hai, Chen Dong. Phase transition, electronic and optical properties of Si3N4 new phases at high pressure with density functional theory. Acta Physica Sinica,
2014, 63(4): 047101.
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Zhang Zhao-Fu, Geng Zhao-Hui, Wang Peng, Hu Yao-Qiao, Zheng Yu-Fei, Zhou Tie-Ge. Properties of 5d atoms doped boron nitride nanotubes：a first-principles calculation and molecular orbital analysis. Acta Physica Sinica,
2013, 62(24): 246301.
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Zhang Zhao-Fu, Zhou Tie-Ge, Zuo Xu. First-principles calculations of h-BN monolayers by doping with oxygen and sulfur. Acta Physica Sinica,
2013, 62(8): 083102.
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Fan Zhi-Qiang, Xie Fang. Effect of B and N doping on the negative differential resistance in molecular device. Acta Physica Sinica,
2012, 61(7): 077303.
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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.
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Zhang Jian-Dong, Yang Chun, Chen Yuan-Tao, Zhang Bian-Xia, Shao Wen-Ying. A density functional theory study of absorption behavior of CO on Au-doped single-walled carbon nanotubes. Acta Physica Sinica,
2011, 60(10): 106102.
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Wang Run-Sheng, Meng Wei-Min, Peng Ying-Quan, Ma Chao-Zhu, Li Rong-Hua, Xie Hong-Wei, Wang Ying, Zhao Ming, Yuan Jian-Ting. The theory of physical doping in organic semiconductor. Acta Physica Sinica,
2009, 58(11): 7897-7903.
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