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Wang Ya-Ning, Chen Shao-Ping, Fan Wen-Hao, Guo Jing-Yun, Wu Yu-Cheng, Wang Wen-Xian. Interface performance of PbTe-based thermoelectric joints. Acta Physica Sinica,
2020, 69(24): 246801.
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Luo Qiang, Yang Heng, Guo Ping, Zhao Jian-Fei. Density functional theory calculation of structure and electronic properties in N-methane hydrate. Acta Physica Sinica,
2019, 68(16): 169101.
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Dai Guang-Zhen, Jiang Xian-Wei, Xu Tai-Long, Liu Qi, Chen Jun-Ning, Dai Yue-Hua. Effect of oxygen vacancy on lattice and electronic properties of HfO2 by means of density function theory study. Acta Physica Sinica,
2015, 64(3): 033101.
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Lü Jin, Yang Li-Jun, Wang Yan-Fang, Ma Wen-Jin. Density functional theory study of structure characteristics and stabilities of Al2Sn(n=2-10) clusters. Acta Physica Sinica,
2014, 63(16): 163601.
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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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Xu Ying-Ying, Kan Yu-He, Wu Jie, Tao Wei, Su Zhong-Min. Theoretical study on the electronic structures and photophysical properties of carbon nanorings and their analogues. Acta Physica Sinica,
2013, 62(8): 083101.
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Yuan Jian-Mei, Hao Wen-Ping, Li Shun-Hui, Mao Yu-Liang. Density functional study on the adsorption of C atoms on Ni (111) surface. Acta Physica Sinica,
2012, 61(8): 087301.
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Fan Bing-Bing, Wang Li-Na, Wen He-Jing, Guan Li, Wang Hai-Long, Zhang Rui. Study on the structure of water chain encapsulated in carbon nanotube by density functional theory. Acta Physica Sinica,
2011, 60(1): 012101.
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Zhang Zhi-Long, Chen Yu-Hong, Ren Bao-Xing, Zhang Cai-Rong, Du Rui, Wang Wei-Chao. Density functional theory study on the structure and properties of (HMgN3)n(n=15) clusters. Acta Physica Sinica,
2011, 60(12): 123601.
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Gao Tao, Zhou Jing-Jing, Chen Yun-Gui, Wu Chao-Ling, Xiao Yan. Spatial configurations and X-ray absorption of Ti catalyzing on NaAlH4 surfaces: Car-Parrinello molecular dynamics and density functional theory study. Acta Physica Sinica,
2010, 59(10): 7452-7457.
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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.
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Meng Da-Qiao, Luo Wen-Hua, Li Gan, Chen Hu-Chi. Density functional study of CO2 adsorption on Pu(100) surface. Acta Physica Sinica,
2009, 58(12): 8224-8229.
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Chen Liang, Xu Can, Zhang Xiao-Fang. Electronic properties of MgO nanotube clusters studied with density functional theory. Acta Physica Sinica,
2009, 58(3): 1603-1607.
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Lin Feng, Zheng Fa-Wei, Ouyang Fang-Ping. A density functional theory study on water adsorption on TiO2-terminated SrTiO3（001） surface. Acta Physica Sinica,
2009, 58(13): 193-S198.
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Li Xi-Bo, Wang Hong-Yan, Luo Jiang-Shan, Wu Wei-Dong, Tang Yong-Jian. Density functional theory study of the geometry, stability and electronic properties of ScnO(n=1—9) clusters. Acta Physica Sinica,
2009, 58(9): 6134-6140.
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Chen Yu-Hong, Kang Long, Zhang Cai-Rong, Luo Yong-Chun, Yuan Li-Hua, Li Yan-Long. Density functional theory study on the structures and properties of (Ca3N2)n(n=1—4) clusters. Acta Physica Sinica,
2008, 57(10): 6265-6270.
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Chen Yu-Hong, Zhang Cai-Rong, Ma Jun. Density functional theory study on the structure and properties of MgmBn(m=1,2;n=1—4) clusters. Acta Physica Sinica,
2006, 55(1): 171-178.
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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.
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Lu Hong-Liang, Xu Min, Chen Wei, Ren Jie, Ding Shi-Jin, Zhang Wei. Geometries and the electronic structures of t-HfO2 (001) surface. Acta Physica Sinica,
2006, 55(3): 1374-1378.
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Xiao Qi, Qiu Guan-Zhou, Hu Yue-Hua, Wang Dian-Zuo. . Acta Physica Sinica,
2002, 51(9): 2133-2138.
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