[1] |
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.
doi: 10.7498/aps.72.20230374
|
[2] |
Li Shou-Ying, Zhao Wei-Min, Qiao Jian-Hua, Wang Yong. Competitive adsorption of CO and H2 on 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
|