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Electronically induced defect creation at semiconductor/oxide interface revealed by time-dependent density functional theory 期刊论文
PHYSICAL REVIEW B, 2021, 卷号: 104, 期号: 11, 页码: 115310
作者:  Liu, Yue-Yang;   Wei, Zhongming;   Meng, Sheng;   Wang, Runsheng;   Jiang, Xiangwei;   Huang, Ru;   Li, Shu-Shen;   Wang, Lin-Wang
收藏  |  浏览/下载：18/0  |  提交时间：2022/03/28
Microscopic force driving the photoinduced ultrafast phase transition: Time-dependent density functional theory simulations of IrTe 2 期刊论文
PHYSICAL REVIEW B, 2020, 卷号: 102, 页码: 184308
作者:  Wen-Hao Liu;   Jun-Wei Luo;  Shu-Shen Li;   Lin-Wang Wang
收藏  |  浏览/下载：19/0  |  提交时间：2021/05/24
Multiscale simulation of lateral charge loss in Si 3 N 4 3D NAND flash based on density functional theory 期刊论文
Journal of Physics D: Applied Physics, 2019, 卷号: 52, 页码: 395103
作者:  Jixuan Wu ;   Jiezhi Chen ;   Xiangwei Jiang
收藏  |  浏览/下载：17/0  |  提交时间：2020/07/30
Highly sensitive hybrid nanofiber-based room-temperature CO sensors: Experiments and density functional theory simulations 期刊论文
Nano Research, 2018, 卷号: 11, 期号: 2, 页码: 1029-1037
作者:  Lili Wang ;   Ruiqing Chai ;   Zheng Lou ;  Guozhen Shen
收藏  |  浏览/下载：8/0  |  提交时间：2019/11/12
Petascale orbital-free density functional theory enabled by small-box algorithms 期刊论文
journal of chemical theory and computation, 2016, 卷号: 12, 期号: 6, 页码: 2950-2963
Mohan Chen; Xiang-Wei Jiang; Houlong Zhuang; Lin-Wang Wang; Emily A. Carter
收藏  |  浏览/下载：12/0  |  提交时间：2017/03/16
Efficient Real-Time Time-Dependent Density Functional Theory Method and its Application to a Collision of an Ion with a 2D Material 期刊论文
physical review letters, 2015, 卷号: 114, 期号: 6, 页码: 063004
Zhi Wang; Shu-Shen Li; Lin-Wang Wang
收藏  |  浏览/下载：25/0  |  提交时间：2016/04/08
Adsorption and diffusion of Pb(II) on the kaolinite(001) surface: A density-functional theory study 期刊论文
applied clay science, 2013, 卷号: 85, 期号: 1, 页码: 74-79
He, Man-Chao; Zhao, Jian; Wang, Shuang-Xi
收藏  |  浏览/下载：10/0  |  提交时间：2014/04/28
Density functional theory study on transparent conductive oxide CuScO2 期刊论文
acta physica sinica, 2012, 卷号: 61, 期号: 22, 页码: 227401
Fang Zhi-Jie; Mo Man; Zhu Ji-Zhen; Yang Hao
收藏  |  浏览/下载：13/0  |  提交时间：2013/10/10
Adsorption and dissociation of H2O on Zr(0001) with density-functional theory studies 期刊论文
journal of nuclear materials, 2012, 卷号: 424, 期号: 2012-1-3, 页码: 51-56
Wang, SX; Zhang, P; Zhang, P; Zhao, J; Li, SS
收藏  |  浏览/下载：15/0  |  提交时间：2013/03/17
Defect properties of CuCrO2: A density functional theory calculation 期刊论文
chinese physics b, 2012, 卷号: 21, 期号: 8, 页码: 087105
Fang ZJ (Fang Zhi-Jie); Zhu JZ (Zhu Ji-Zhen); Zhou J (Zhou Jiang); Mo M (Mo Man)
收藏  |  浏览/下载：17/0  |  提交时间：2013/04/02

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