[1] |
Zhu Hong-Qiang, Luo Lei, Wu Ze-Bang, Yin Kai-Hui, Yue Yuan-Xia, Feng Qing, Yang Ying, Jia Wei-Yao.Theoretical Calculation Study on Enhancing the Sensitivity and Optical Properties of Graphene Adsorption of Nitrogen Dioxide via Doping. Acta Physica Sinica, 2024, 0(0): .doi:10.7498/aps.73.20240992 |
[2] |
Cui Yan, Xia Cai-Juan, Su Yao-Heng, Zhang Bo-Qun, Zhang Ting-Ting, Liu Yang, Hu Zhen-Yang, Tang Xiao-Jie.Switching characteristics of anthraquinone molecular devices based on graphene electrodes. Acta Physica Sinica, 2021, 70(3): 038501.doi:10.7498/aps.70.20201095 |
[3] |
Xu Qiang, Si Xue, She Wei-Han, Yang Guang-Min.Density functional theory study of supercapacitor for energy storage electrode materials. Acta Physica Sinica, 2021, 70(10): 107301.doi:10.7498/aps.70.20201988 |
[4] |
Luo Qiang, Yang Heng, Guo Ping, Zhao Jian-Fei.Density functional theory calculation of structure and electronic properties in N-methane hydrate. Acta Physica Sinica, 2019, 68(16): 169101.doi:10.7498/aps.68.20182230 |
[5] |
Cui Shu-Wen, Li Lu, Wei Lian-Jia, Qian Ping.Theoretical study of density functional of confined CO oxidation reaction between bilayer graphene. Acta Physica Sinica, 2019, 68(21): 218101.doi:10.7498/aps.68.20190447 |
[6] |
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 |
[7] |
Zhang Chen-Jun, Wang Yang-Li, Chen Chao-Kang.Density functional theory of InCn+(n=110) clusters. Acta Physica Sinica, 2018, 67(11): 113101.doi:10.7498/aps.67.20172662 |
[8] |
Cui Yan, Xia Cai-Juan, Su Yao-Heng, Zhang Bo-Qun, Chen Ai-Min, Yang Ai-Yun, Zhang Ting-Ting, Liu Yang.Rectifying performances of oligo phenylene ethynylene molecular devices based on graphene electrodes. Acta Physica Sinica, 2018, 67(11): 118501.doi:10.7498/aps.67.20180088 |
[9] |
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 |
[10] |
Yang Zhen-Qing, Bai Xiao-Hui, Shao Chang-Jin.Density functional theory studies of (TiO2)12 quantum ring and its electronic properties when doped with transition metal compounds. Acta Physica Sinica, 2015, 64(7): 077102.doi:10.7498/aps.64.077102 |
[11] |
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 |
[12] |
Wen Jun-Qing, Xia Tao, Wang Jun-Fei.A density functional theory study of small bimetallic PtnAl (n=18) clusters. Acta Physica Sinica, 2014, 63(2): 023103.doi:10.7498/aps.63.023103 |
[13] |
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 |
[14] |
Xie Xiao-Dong, Hao Yu-Ying, Zhang Ri-Guang, Wang Bao-Jun.Lithium-doped tris (8-hydroxyquinoline) aluminum studied by density functional theory. Acta Physica Sinica, 2012, 61(12): 127201.doi:10.7498/aps.61.127201 |
[15] |
Wang Jian-Jun, Wang Fei, Yuan Peng-Fei, Sun Qiang, Jia Yu.First-principles study of nanoscale friction between graphenes. Acta Physica Sinica, 2012, 61(10): 106801.doi:10.7498/aps.61.106801 |
[16] |
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 |
[17] |
Lin Qi, Chen Yu-Hang, Wu Jian-Bao, Kong Zong-Min.Effect of N-doping on band structure and transport property of zigzag graphene nanoribbons. Acta Physica Sinica, 2011, 60(9): 097103.doi:10.7498/aps.60.097103 |
[18] |
Gao Hong, Zhu Wei-Hua, Tang Chun-Mei, Geng Fang-Fang, Yao Chang-Da, Xu Yun-Ling, Deng Kai-Ming.Density functional calculation on the geometric structure and electronic properties of the endohedral fullerene N2@C60. Acta Physica Sinica, 2010, 59(3): 1707-1711.doi:10.7498/aps.59.1707 |
[19] |
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 |
[20] |
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 |