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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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Li Ya-Sha, Sun Lin-Xiang, Zhou Xiao, Chen Kai, Wang Hui-Yao. Structure and excitation characteristics of C5F10O under external electric field based on density functional theory. Acta Physica Sinica,
2020, 69(1): 013101.
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Liang Jin-Tao, Yan Xiao-Hong, Zhang Ying, Xiao Yang. Non-collinear magnetism and electronic transport of boron or nitrogen doped zigzag graphene nanoribbon. Acta Physica Sinica,
2019, 68(2): 027101.
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Li Ya-Sha, Xie Yun-Long, Huang Tai-Huan, Xu Cheng, Liu Guo-Cheng. Molecular structure and properties of salt cross-linked polyethylene under external electric field based on density functional theory. Acta Physica Sinica,
2018, 67(18): 183101.
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Jiang Yuan-Qi, Peng Ping. Electronic structures of stable Cu-centered Cu-Zr icosahedral clusters studied by density functional theory. Acta Physica Sinica,
2018, 67(13): 132101.
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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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Sun Jian-Ping, Zhou Ke-Liang, Liang Xiao-Dong. Density functional study on the adsorption characteristics of O, O2, OH, and OOH of B-, P-doped, and B, P codoped graphenes. Acta Physica Sinica,
2016, 65(1): 018201.
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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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Sun Jian-Ping, Miao Ying-Meng, Cao Xiang-Chun. Density functional theory studies of O2 and CO adsorption on the graphene doped with Pd. Acta Physica Sinica,
2013, 62(3): 036301.
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Song Jian, Li Feng, Deng Kai-Ming, Xiao Chuan-Yun, Kan Er-Jun, Lu Rui-Feng, Wu Hai-Ping. Density functional study on the stability and electronic structure of single layer Si6H4Ph2. Acta Physica Sinica,
2012, 61(24): 246801.
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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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Xu Jin-Rong, Wang Ying, Zhu Xing-Feng, Li Ping, Zhang Li. First-principles study of N-doped and N-V co-doped anatase TiO2. Acta Physica Sinica,
2012, 61(20): 207103.
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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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Chen Xue-Feng, Qi Kai-Tian, Li Bing, Sheng Yong, Zhang Yan, Yang Chuan-Lu. Density functional theory study of silica clusters (SiO2)n-(n≤7). Acta Physica Sinica,
2010, 59(7): 4598-4601.
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Cao Qing-Song, Deng Kai-Ming, Chen Xuan, Tang Chun-Mei, Huang De-Cai. Density functional study on the geometric and electronic properties of MC20F20 （M=Li, Na, Be, Mg）. Acta Physica Sinica,
2009, 58(3): 1863-1869.
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Qi Kai-Tian, Yang Chuan-Lu, Li Bing, Zhang Yan, Sheng Yong. Density functional theory study on TinLa（n=1—7） clusters. Acta Physica Sinica,
2009, 58(10): 6956-6961.
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Jiao Yu-Qiu, Zhao Kun, Lu Gui-Wu. Density functional theory studies on spectral properties of H3PAuPh and (H3PAu)2(1,4-C6H4)2. Acta Physica Sinica,
2008, 57(3): 1592-1598.
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Sheng Yong, Mao Hua-Ping, Tu Ming-Jing. DFT study on the Mg-doped TinMg (n=1—10) clusters. Acta Physica Sinica,
2008, 57(7): 4153-4158.
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Mao Hua-Ping, Wang Hong-Yan, Tang Yong-Jian, Zhu Zheng-He, Zheng Sao-Tao. The effects of charge on the potential energy function and energy levels for Cu2n±(n=0,1,2). Acta Physica Sinica,
2004, 53(1): 37-41.
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TONG HONG-YONG, GU MU, TANG XUE-FENG, LIANG LING, YAO MING-ZHEN. ELECTRONIC STRUCTURES OF PbWO4 CRYSTAL CALCULATED IN TERMS OF DENSITY FUNCTIONAL THEORY. Acta Physica Sinica,
2000, 49(8): 1545-1549.
doi: 10.7498/aps.49.1545
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