[1] |
Fang Yu-Xuan, Yang Yi, Xia Zhi-Liang, Huo Zong-Liang.First-principles study of F adsorption by TiN with its oxide surface in three-dimensional NAND flash memory. Acta Physica Sinica, 2024, 73(12): 128502.doi:10.7498/aps.73.20240254 |
[2] |
Zhou Bin, Xiao Shi-Cheng, Wang Yi-Nan, Zhang Xiao-Yu, Zhong Xue, Ma Dan, Dai Ying, Fan Zhi-Qiang, Tang Gui-Ping.First-principles study of VS2as anode material for Li-ion batteries. Acta Physica Sinica, 2024, 73(11): 113101.doi:10.7498/aps.73.20231681 |
[3] |
Mo Qiu-Yan, Zhang Song, Jing Tao, Zhang Hong-Yun, Li Xian-Xu, Wu Jia-Yin.First-principles study of surface modification of CuSe. Acta Physica Sinica, 2023, 72(12): 127301.doi:10.7498/aps.72.20230093 |
[4] |
Li Jun-Wei, Jia Wei-Min, Lü Sha-Sha, Wei Ya-Xuan, Li Zheng-Cao, Wang Jin-Tao.First principles study of hydrogen adsorption and dissociation behavior on γ-U (100)/Mo surface. Acta Physica Sinica, 2022, 71(22): 226601.doi:10.7498/aps.71.20220631 |
[5] |
Liu Kun, Wang Fu-He, Shang Jia-Xiang.First-principles study on the adsorption of oxygen at NiTi (110) surface. Acta Physica Sinica, 2017, 66(21): 216801.doi:10.7498/aps.66.216801 |
[6] |
Jiang Ping-Guo, Wang Zheng-Bing, Yan Yong-Bo, Liu Wen-Jie.First-principles study of absorption mechanism of hydrogen on W20O58 (010) surface. Acta Physica Sinica, 2017, 66(24): 246801.doi:10.7498/aps.66.246801 |
[7] |
Jiang Ping-Guo, Wang Zheng-Bing, Yan Yong-Bo.First-principles study on adsorption mechanism of hydrogen on tungsten trioxide surface. Acta Physica Sinica, 2017, 66(8): 086801.doi:10.7498/aps.66.086801 |
[8] |
Liu Feng-Bin, Chen Wen-Bin, Cui Yan, Qu Min, Cao Lei-Gang, Yang Yue.A first principles study on the active adsorbates on the hydrogenated diamond surface. Acta Physica Sinica, 2016, 65(23): 236802.doi:10.7498/aps.65.236802 |
[9] |
Zhang Li-Yong, Fang Liang, Peng Xiang-Yang.Tuning the electronic property of monolayer MoS2 adsorbed on metal Au substrate: a first-principles study. Acta Physica Sinica, 2015, 64(18): 187101.doi:10.7498/aps.64.187101 |
[10] |
Zhou Ping, Wang Xin-Qiang, Zhou Mu, Xia Chuan-Hui, Shi Ling-Na, Hu Cheng-Hua.First-principles study of pressure induced phase transition, electronic structure and elastic properties of CdS. Acta Physica Sinica, 2013, 62(8): 087104.doi:10.7498/aps.62.087104 |
[11] |
Zhang Yang, Huang Yan, Chen Xiao-Shuang, Lu Wei.The study of oxygen and sulfur adsorption on the InSb (110) surface, using first-principle energy calculations. Acta Physica Sinica, 2013, 62(20): 206102.doi:10.7498/aps.62.206102 |
[12] |
Wu Mu-Sheng, Xu Bo, Liu Gang, Ouyang Chu-Ying.The effect of strain on band structure of single-layer MoS2: an ab initio study. Acta Physica Sinica, 2012, 61(22): 227102.doi:10.7498/aps.61.227102 |
[13] |
Fang Cai-Hong, Shang Jia-Xiang, Liu Zeng-Hui.Oxygen adsorption on Nb(110) surface by first-principles calculation. Acta Physica Sinica, 2012, 61(4): 047101.doi:10.7498/aps.61.047101 |
[14] |
Du Yu-Jie, Chang Ben-Kang, Wang Xiao-Hui, Zhang Jun-Ju, Li Biao, Fu Xiao-Qian.Electronic structure and optical properties of Cs/GaN(0001) adsorption system. Acta Physica Sinica, 2012, 61(5): 057102.doi:10.7498/aps.61.057102 |
[15] |
Lu Jin-Lian, Cao Jue-Xian.A first-principles study of capacity and mechanism of a single titanium atom storing hydrogen. Acta Physica Sinica, 2012, 61(14): 148801.doi:10.7498/aps.61.148801 |
[16] |
Chen Yu-Hong, Du Rui, Zhang Zhi-Long, Wang Wei-Chao, Zhang Cai-Rong, Kang Long, Luo Yong-Chun.First principles study of H2 molecule adsorption on Li3 N(110) surfaces. Acta Physica Sinica, 2011, 60(8): 086801.doi:10.7498/aps.60.086801 |
[17] |
Li Qi, Fan Guang-Han, Xiong Wei-Ping, Zhang Yong.First-principles calculations of ZnO polar surfaces and N adsorption mechanism. Acta Physica Sinica, 2010, 59(6): 4170-4177.doi:10.7498/aps.59.4170 |
[18] |
Wu Xiao-Xia, Wang Qian-En, Wang Fu-He, Zhou Yun-Song.First-principles study on chemisorption of Cl on γ-TiAl(111) surface. Acta Physica Sinica, 2010, 59(10): 7278-7284.doi:10.7498/aps.59.7278 |
[19] |
Zhao Wei, Wang Jia-Dao, Liu Feng-Bin, Chen Da-Rong.First principles study of H2O molecule adsorption on Fe(100), Fe(110) and Fe(111) surfaces. Acta Physica Sinica, 2009, 58(5): 3352-3358.doi:10.7498/aps.58.3352 |
[20] |
Xu Gui-Gui, Wu Qing-Yun, Zhang Jian-Min, Chen Zhi-Gao, Huang Zhi-Gao.First-principles study of the adsorption energy and work function of oxygen adsorption on Ni(111) surface. Acta Physica Sinica, 2009, 58(3): 1924-1930.doi:10.7498/aps.58.1924 |