[1] |
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 |
[2] |
Li Shou-Ying, Zhao Wei-Min, Qiao Jian-Hua, Wang Yong.Competitive adsorption of CO and H2on strained Fe(110) surface. Acta Physica Sinica, 2019, 68(21): 217103.doi:10.7498/aps.68.20190660 |
[3] |
Xu Zi-Wei, Shi Chang-Shuai, Zhao Guang-Hui, Wang Ming-Yuan, Liu Gui-Wu, Qiao Guan-Jun.Hydrogen adsorption mechanism on single-layer MoSe2 for hydrogen evolution reaction: First-principles study. Acta Physica Sinica, 2018, 67(21): 217102.doi:10.7498/aps.67.20180882 |
[4] |
Liu Xiu-Ying, Li Xiao-Feng, Yu Jing-Xin, Li Xiao-Dong.Density functional theory study of hydrogen spillover mechanism on Pd doped covalent organic frameworks COF-108. Acta Physica Sinica, 2016, 65(15): 157302.doi:10.7498/aps.65.157302 |
[5] |
Huang Xiang-Qian, Lin Chen-Fang, Yin Xiu-Li, Zhao Ru-Guang, Wang En-Ge, Hu Zong-Hai.Hydrogen adsorption on one-dimensional graphene superlattices. Acta Physica Sinica, 2014, 63(19): 197301.doi:10.7498/aps.63.197301 |
[6] |
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.doi:10.7498/aps.60.123601 |
[7] |
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 |
[8] |
Sun Jian-Min, Zhao Gao-Feng, Wang Xian-Wei, Yang Wen, Liu Yan, Wang Yuan-Xu.Study of structural and electronic properties of Cu-adsorbed (SiO2)n(n=1—8) clusters with the DFT. Acta Physica Sinica, 2010, 59(11): 7830-7837.doi:10.7498/aps.59.7830 |
[9] |
Liu Feng-Bin, Wang Jia-Dao, Chen Da-Rong, Zhao Ming, He Guang-Ping.The microstructures of the diamond (100) surfaces with different density of hydrogen adsorption. Acta Physica Sinica, 2010, 59(9): 6556-6562.doi:10.7498/aps.59.6556 |
[10] |
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.doi:10.7498/aps.58.6134 |
[11] |
Zhang Ji-Hua, Ding Jian-Wen, Lu Zhang-Hui.First-principles study of electrical structures and optical properties of Co:MgF2 crystal. Acta Physica Sinica, 2009, 58(3): 1901-1907.doi:10.7498/aps.58.1901 |
[12] |
Li Bing, Yang Chuan-Lu, Qi Kai-Tian, Zhang Yan, Sheng Yong.Density functional theory study of SimCn (m+n≤7) clusters. Acta Physica Sinica, 2009, 58(5): 3104-3111.doi:10.7498/aps.58.3104 |
[13] |
Ge Gui-Xian, Luo You-Hua.Density functional theory study of the structure and electronic properties of MgnOn(n=2—8) clusters. Acta Physica Sinica, 2008, 57(8): 4851-4856.doi:10.7498/aps.57.4851 |
[14] |
Lei Xue-Ling, Zhu Heng-Jiang, Ge Gui-Xian, Wang Xian-Ming, Luo You-Hua.Structures and magnetism of BnNi(n=6—12) clusters from density-functional theory. Acta Physica Sinica, 2008, 57(9): 5491-5499.doi:10.7498/aps.57.5491 |
[15] |
Chen Yu-Hong, Kang Long, Zhang Cai-Rong, Luo Yong-Chun, Ma Jun.Density functional theory study of [Mg(NH2)2]n(n=1—5) clusters. Acta Physica Sinica, 2008, 57(8): 4866-4874.doi:10.7498/aps.57.4866 |
[16] |
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.doi:10.7498/aps.57.6265 |
[17] |
Chen Yu-Hong, Kang Long, Zhang Cai-Rong, Luo Yong-Chun, Pu Zhong-Sheng.Density functional theory study of the structures and properties of (Li3N)n(n=1—5) clusters. Acta Physica Sinica, 2008, 57(7): 4174-4181.doi:10.7498/aps.57.4174 |
[18] |
Wang Qing-Lin, Ge Gui-Xian, Zhao Wen-Jie, Lei Xue-Ling, Yan Yu-Li, Yang Zhi, Luo You-Hua.Density functional theory study on the structure and properties of CoBen(n=1—12) clusters. Acta Physica Sinica, 2007, 56(6): 3219-3226.doi:10.7498/aps.56.3219 |
[19] |
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.doi:10.7498/aps.55.171 |
[20] |
Li En-Ling, Yang Cheng-Jun, Chen Gui-Can, Wang Xue-Wen, Ma De-Ming.First principles study on structure and stability of small GanPm clusters. Acta Physica Sinica, 2005, 54(9): 4117-4123.doi:10.7498/aps.54.4117 |