[1] |
Yang Hai-Lin, Chen Qi-Li, Gu Xing, Lin Ning.First-principles calculations of O-atom diffusion on fluorinated graphene. Acta Physica Sinica, 2023, 72(1): 016801.doi:10.7498/aps.72.20221630 |
[2] |
Deng Xu-Liang, Ji Xian-Fei, Wang De-Jun, Huang Ling-Qin.First principle study on modulating of Schottky barrier at metal/4H-SiC interface by graphene intercalation. Acta Physica Sinica, 2022, 71(5): 058102.doi:10.7498/aps.71.20211796 |
[3] |
Wu Hong-Fen, Feng Pan-Jun, Zhang Shuo, Liu Da-Peng, Gao Miao, Yan Xun-Wang.First-principles study of Fe atom adsorbed biphenylene monolayer. Acta Physica Sinica, 2022, 71(3): 036801.doi:10.7498/aps.71.20211631 |
[4] |
Ding Qing-Song, Luo Chao-Bo, Peng Xiang-Yang, Shi Xi-Zhi, He Chao-Yu, Zhong Jian-Xin.First principles study of distributions of Si atoms and structures of siligraphene g-SiC7. Acta Physica Sinica, 2021, 70(19): 196101.doi:10.7498/aps.70.20210621 |
[5] |
.First principles study of Fe atom adsorbed biphenylene monolayer. Acta Physica Sinica, 2021, (): .doi:10.7498/aps.70.20211631 |
[6] |
Liu Zi-Yuan, Pan Jin-Bo, Zhang Yu-Yang, Du Shi-Xuan.First principles calculation of two-dimensional materials at an atomic scale. Acta Physica Sinica, 2021, 70(2): 027301.doi:10.7498/aps.70.20201636 |
[7] |
Wang Yan, Chen Nan-Di, Yang Chen, Zeng Zhao-Yi, Hu Cui-E, Chen Xiang-Rong.Thermoelectric transport properties of two-dimensional materialsXTe2(X= Pd, Pt) via first-principles calculations. Acta Physica Sinica, 2021, 70(11): 116301.doi:10.7498/aps.70.20201939 |
[8] |
Cai Meng-Yuan, Tang Chun-Mei, Zhang Qiu-Yue.Optimized Li storage performance of B, N doped graphyne as Li-ion battery anode materials. Acta Physica Sinica, 2019, 68(21): 213601.doi:10.7498/aps.68.20191161 |
[9] |
Wang Tian-Hui, Li Ang, Han Bai.First-principles study of graphyne/graphene heterostructure resonant tunneling nano-transistors. Acta Physica Sinica, 2019, 68(18): 187102.doi:10.7498/aps.68.20190859 |
[10] |
Zhang Shu-Ting, Sun Zhi, Zhao Lei.First-principles study of graphene nanoflakes with large spin property. Acta Physica Sinica, 2018, 67(18): 187102.doi:10.7498/aps.67.20180867 |
[11] |
Chi Bao-Qian, Liu Yi, Xu Jing-Cheng, Qin Xu-Ming, Sun Chen, Bai Cheng-Hao, Liu Yi-Fan, Zhao Xin-Luo, Li Xiao-Wu.Density functional theory study of structure stability and electronic structures of graphyne derivatives. Acta Physica Sinica, 2016, 65(13): 133101.doi:10.7498/aps.65.133101 |
[12] |
Peng Qiong, He Chao-Yu, Li Jin, Zhong Jian-Xin.First-principles study of electronic properties of MoSi2 thin films. Acta Physica Sinica, 2015, 64(4): 047102.doi:10.7498/aps.64.047102 |
[13] |
Zhang Zhao-Fu, Geng Zhao-Hui, Wang Peng, Hu Yao-Qiao, Zheng Yu-Fei, Zhou Tie-Ge.Properties of 5d atoms doped boron nitride nanotubes:a first-principles calculation and molecular orbital analysis. Acta Physica Sinica, 2013, 62(24): 246301.doi:10.7498/aps.62.246301 |
[14] |
Li Rong, Luo Xiao-Ling, Liang Guo-Ming, Fu Wen-Sheng.First-principles study of influence of dopants Fe on the dehydrogenation properties of VH2. Acta Physica Sinica, 2011, 60(11): 117105.doi:10.7498/aps.60.117105 |
[15] |
Yu Dong-Qi, Zhang Zhao-Hui.First principles calculations of interaction between an armchair-edge graphene nanoribbon and its graphite substrate. Acta Physica Sinica, 2011, 60(3): 036104.doi:10.7498/aps.60.036104 |
[16] |
Wang Zhi-Gang, Zhang Yang, Wen Yu-Hua, Zhu Zi-Zhong.First-principles calculation of structural stability and electronic properties of ZnO atomic chains. Acta Physica Sinica, 2010, 59(3): 2051-2056.doi:10.7498/aps.59.2051 |
[17] |
Lü Quan, Huang Wei-Qi, Wang Xiao-Yun, Meng Xiang-Xiang.The first-principle calculations and analysis on density of states of silion plane (111) formed by nitrogen film. Acta Physica Sinica, 2010, 59(11): 7880-7884.doi:10.7498/aps.59.7880 |
[18] |
Tan Xing-Yi, Jin Ke-Xin, Chen Chang-Le, Zhou Chao-Chao.Electronic structure of YFe2B2by first-principles calculation. Acta Physica Sinica, 2010, 59(5): 3414-3417.doi:10.7498/aps.59.3414 |
[19] |
Hou Qing-Yu, Zhang Yue, Chen Yue, Shang Jia-Xiang, Gu Jing-Hua.Effects of the concentration of oxygen vacancy of anatase on electric conducting performance studied by frist principles calculations. Acta Physica Sinica, 2008, 57(1): 438-442.doi:10.7498/aps.57.438 |
[20] |
Wu Hong-Li, Zhao Xin-Qing, Gong Sheng-Kai.Effect of Nb doping on electronic structure of TiO2/NiTi interface: A first-principle study. Acta Physica Sinica, 2008, 57(12): 7794-7799.doi:10.7498/aps.57.7794 |