[1] |
Zhao Jun, Yao Can, Zeng Hui.Theoretical study of adsorption properties and electrical transport performance of toxic gas molecules on novel orthorhombic BN monolayer semiconductor. Acta Physica Sinica, 2024, 73(12): 126802.doi:10.7498/aps.73.20231621 |
[2] |
Li Xiao-Lin, Yuan Kun, He Jia-Le, Liu Hong-Feng, Zhang Jian-Bo, Zhou Yang.First principle study of adsorption and desorption behaviors of NH3molecule on the TaC (0001) surface. Acta Physica Sinica, 2022, 71(1): 017103.doi:10.7498/aps.71.20210400 |
[3] |
.Adsorption and Desorption Behaviors of the NH3 Molecule on the TaC (0001) surface: A First-Principles Study. Acta Physica Sinica, 2021, (): .doi:10.7498/aps.70.20210400 |
[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] |
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.doi:10.7498/aps.65.018201 |
[6] |
He Yan-Bin, Jia Jian-Feng, Wu Hai-Shun.First-principles study of stability and electronic structure of N2H4 adsorption on NiFe(111) alloy surface. Acta Physica Sinica, 2015, 64(20): 203101.doi:10.7498/aps.64.203101 |
[7] |
Wen Jun-Qing, Zhang Jian-Min, Yao Pan, Zhou Hong, Wang Jun-Fei.A density functional theory study of small bimetallic PdnAl (n =18) clusters. Acta Physica Sinica, 2014, 63(11): 113101.doi:10.7498/aps.63.113101 |
[8] |
Zhang Feng-Chun, Li Chun-Fu, Zhang Cong-Lei, Ran Zeng-Ling.Surface absorptions of H2S, HS and S on Fe(111) investigated by density functional theory. Acta Physica Sinica, 2014, 63(12): 127101.doi:10.7498/aps.63.127101 |
[9] |
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.doi:10.7498/aps.62.036301 |
[10] |
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.doi:10.7498/aps.61.087301 |
[11] |
Lv Bing, Linghu Rong-Feng, Song Xiao-Shu, Wang Xiao-Lu, Yang Xiang-Dong, He Duan-Wei.Adsorption and diffusion of oxygen on Pt (111) surface and subsurface. Acta Physica Sinica, 2012, 61(7): 076802.doi:10.7498/aps.61.076802 |
[12] |
Huang Ping, Yang Chun.Theoretical research of TiO2 adsorption on GaN(0001) surface. Acta Physica Sinica, 2011, 60(10): 106801.doi:10.7498/aps.60.106801 |
[13] |
Zhang Jian-Jun, Zhang Hong.A low coverage investigation on Al adsorption on the (111) surface of Pt, Ir and Au. Acta Physica Sinica, 2010, 59(6): 4143-4149.doi:10.7498/aps.59.4143 |
[14] |
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.doi:10.7498/aps.58.8224 |
[15] |
Yang Pei-Fang, Hu Juan-Mei, Teng Bo-Tao, Wu Feng-Min, Jiang Shi-Yu.Density functional theory study of rhodium adsorption on single-wall carbon nanotubes. Acta Physica Sinica, 2009, 58(5): 3331-3337.doi:10.7498/aps.58.3331 |
[16] |
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.doi:10.7498/aps.58.193 |
[17] |
Chen Guo-Dong, Wang Liu-Ding, Zhang Jiao-Qiang, Cao De-Cai, An Bo, Ding Fu-Cai, Liang Jin-Kui.First-principles study of electron field emission from the carbon nanotube with B doping and H2O adsorption. Acta Physica Sinica, 2008, 57(11): 7164-7167.doi:10.7498/aps.57.7164 |
[18] |
Wei Yan-Wei, Yang Zong-Xian.The adsorption of Au on Zr-doped CeO2(110) surface: A first-principle study. Acta Physica Sinica, 2008, 57(11): 7139-7144.doi:10.7498/aps.57.7139 |
[19] |
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.doi:10.7498/aps.55.3157 |
[20] |
Yang Chun, Li Yan-Rong, Yan Qi-Li, Liu Yong-Hua.Effects of atomic defects of α-Al2O3(0001) on ZnO adsorption. Acta Physica Sinica, 2005, 54(5): 2364-2368.doi:10.7498/aps.54.2364 |