| [1] |
Hu Ting-He, Li Zhi-Hao, Zhang Qian-Fan.First principles and molecular dynamics simulations of effect of dopants on properties of high strength steel for hydrogen storage vessels. Acta Physica Sinica, 2024, 73(6): 067101.doi:10.7498/aps.73.20231735 |
| [2] |
Shi Xiao-Hong, Hou Bin-Peng, Li Zhi-Shuo, Chen Jing-Jin, Shi Xiao-Wen, Zhu Zi-Zhong.Formation of oxygen vacancy clusters in Li-rich Mn-based cathode Materials of lithium-ion batteries: First-principles calculations. Acta Physica Sinica, 2023, 72(7): 078201.doi:10.7498/aps.72.20222300 |
| [3] |
Zhou Jin-Ping, Li Chun-Mei, Jiang Bo, Huang Ren-Zhong.First-principles study of Co and Ni excess effects on crystal structure and phase stability of Co2NiGa alloy. Acta Physica Sinica, 2023, 72(15): 156301.doi:10.7498/aps.72.20230626 |
| [4] |
Tian Kang-Zhen, Hu Yong-Sheng, Ren He, Qi Si-Sheng, Yang An-Ping, Feng Xian, Yang Zhi-Yong.Ge-As-S chalcogenide glass fiber with high laser damage threshold and mid-infrared supercontinuum generation. Acta Physica Sinica, 2021, 70(4): 047801.doi:10.7498/aps.70.20201324 |
| [5] |
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 |
| [6] |
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 |
| [7] |
Yin Yuan, Li Ling, Yin Wan-Jian.Theoretical and computational study on defects of solar cell materials. Acta Physica Sinica, 2020, 69(17): 177101.doi:10.7498/aps.69.20200656 |
| [8] |
Yan Xiao-Tong, Hou Yu-Hua, Zheng Shou-Hong, Huang You-Lin, Tao Xiao-Ma.First-principles study of effects of Ga, Ge and As doping on electrochemical properties and electronic structure of Li2CoSiO4serving as cathode material for Li-ion batteries. Acta Physica Sinica, 2019, 68(18): 187101.doi:10.7498/aps.68.20190503 |
| [9] |
Zheng Lu-Min, Zhong Shu-Ying, Xu Bo, Ouyang Chu-Ying.First-principles study of rare-earth-doped cathode materials Li2MnO3in Li-ion batteries. Acta Physica Sinica, 2019, 68(13): 138201.doi:10.7498/aps.68.20190509 |
| [10] |
Huang Bing-Quan, Zhou Tie-Ge, Wu Dao-Xiong, Zhang Zhao-Fu, Li Bai-Kui.Properties of vacancies and N-doping in monolayer g-ZnO: First-principles calculation and molecular orbital theory analysis. Acta Physica Sinica, 2019, 68(24): 246301.doi:10.7498/aps.68.20191258 |
| [11] |
Bai Jing, Wang Xiao-Shu, Zu Qi-Rui, Zhao Xiang, Zuo Liang.Defect stabilities and magnetic properties of Ni-X-In (X= Mn, Fe and Co) alloys: a first-principle study. Acta Physica Sinica, 2016, 65(9): 096103.doi:10.7498/aps.65.096103 |
| [12] |
Liu Chong, Ji Lai-Lin, Zhu Bao-Qiang, Lin Zun-Qi.Numerical simulation analysis of high efficient SFG and color separation in far field in high power laser facility based on noncollinear phase matching by KDP crystal. Acta Physica Sinica, 2016, 65(14): 144202.doi:10.7498/aps.65.144202 |
| [13] |
Yuan Zhen-Kun, Xu Peng, Chen Shi-You.Computational prediction of lattice defects in multinary compound semiconductors as photovoltaic materials. Acta Physica Sinica, 2015, 64(18): 186102.doi:10.7498/aps.64.186102 |
| [14] |
Sun Xiao-Yan, Lei Ze-Min, Lu Xing-Qiang, Fan Dian-Yuan.Mechanism of original damage of thin optical components induced by surface particle contamination. Acta Physica Sinica, 2014, 63(13): 134201.doi:10.7498/aps.63.134201 |
| [15] |
Jiao Zhao-Yong, Guo Yong-Liang, Niu Yi-Jun, Zhang Xian-Zhou.The first principle study of electronic and optical properties of defect chalcopyrite XGa2S4 (X=Zn, Cd, Hg). Acta Physica Sinica, 2013, 62(7): 073101.doi:10.7498/aps.62.073101 |
| [16] |
Deng Jiao-Jiao, Liu Bo, Gu Mu, Liu Xiao-Lin, Huang Shi-Ming, Ni Chen.First principles calculation of electronic structures and optical properties for -CuX(X = Cl, Br, I). Acta Physica Sinica, 2012, 61(3): 036105.doi:10.7498/aps.61.036105 |
| [17] |
Zhang Xue-Jun, Gao Pan, Liu Qing-Ju.First-principles study on electronic structure and optical properties of anatase TiO2 codoped with nitrogen and iron. Acta Physica Sinica, 2010, 59(7): 4930-4938.doi:10.7498/aps.59.4930 |
| [18] |
Zhang Hua, Tang Yuan-Hao, Zhou Wei-Wei, Li Pei-Juan, Shi Si-Qi.Antisite defect of LiFePO4: A first-principles study. Acta Physica Sinica, 2010, 59(7): 5135-5140.doi:10.7498/aps.59.5135 |
| [19] |
Li Pei-Juan, Zhou Wei-Wei, Tang Yuan-Hao, Zhang Hua, Shi Si-Qi.Electronic structure，optical and lattice dynamical properties of CeO2：A first-principles study. Acta Physica Sinica, 2010, 59(5): 3426-3431.doi:10.7498/aps.59.3426 |
| [20] |
Liang Li-Ping, Xu Yao, Zhang Lei, Wu Dong, Sun Yu-Han, Li Zhi-Hong, Wu Zhong-Hua.Sol-gel processing of ZrO2 and polymer doped-ZrO2 monolayer reflective films with high laser damage threshold. Acta Physica Sinica, 2006, 55(8): 4371-4382.doi:10.7498/aps.55.4371 |
下载: