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LiF-BeF_2熔盐微观结构及扩散特性的分子动力学研究 期刊论文
化工学报, 2020, 卷号: 71, 期号: 08, 页码: 3565-3574+3849
Authors:  贺国达;  汤睿;  段学志;  谢雷东;  傅杰;  戴建兴;  钱渊;  王建强
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Lif-bef2熔盐  分子模拟  微观结构  扩散  电导率  
基于第一原理计算拟合Ag、Si和C原子间作用势的研究 期刊论文
华东师范大学学报(自然科学版), 2017, 期号: 4, 页码: "114-125"
Authors:  王永伟;  郭永亮;  张伟;  柯学志
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Tersoff势  力匹配  Sic  第一性原理计算  
Pressure-induced structural transformations and polymerization in ThC2 期刊论文
SCIENTIFIC REPORTS, 2017, 卷号: 7, 页码: -
Authors:  Guo, YL;  Yu, C;  Lin, J;  Wang, CY;  Ren, CL;  Sun, BX;  Huai, P;  Xie, RB;  Ke, XZ;  Zhu, ZY;  Xu, HJ
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Structural and electronic phase transitions of ThS2 from first-principles calculations 期刊论文
PHYSICAL REVIEW B, 2016, 卷号: 94, 期号: 13, 页码: -
Authors:  Guo, YL;  Wang, CY;  Qiu, WJ;  Ke, XZ;  Huai, P;  Cheng, C;  Zhu, ZY;  Chen, CF;  Ke, XZ (reprint author), East China Normal Univ, Inst Theoret Phys, Dept Phys, Shanghai 200241, Peoples R China.
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石墨烯缺陷结构与氟及乙炔等小分子相互作用的理论研究 学位论文
: 中国科学院研究生院(上海应用物理研究所), 2014
Authors:  王松
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石墨烯  缺陷  双空位    氢气  乙炔  
Fluorine interaction with defects on graphite surface by a first-principles study 期刊论文
APPLIED SURFACE SCIENCE, 2014, 卷号: 292, 页码: 488—493
Authors:  Wang, S;  Ke, XZ;  Zhang, W;  Gong, WB;  Huai, P;  Zhang, WQ;  Zhu, ZY;  xzke@phy.ecnu.edu.cn
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Minimum Energy Paths  Elastic Band Method  Saddle-points  Carbon  Graphene  Products  
Strain-controlled interface engineering of binding and charge doping at metal-graphene contacts 期刊论文
APPLIED PHYSICS LETTERS, 2013, 卷号: 103, 期号: 14
Authors:  Gong, Wenbin;  Zhang, Wei;  Ren, Cuilan;  Ke, Xuezhi;  Wang, Song;  Huai, Ping;  Zhang, Wenqing;  Zhu, Zhiyuan
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C_20_富勒烯的Ar_离子辐照合成 期刊论文
物理学报, 2000, 期号: 05
Authors:  王震遐;  柯学志;  朱志远;  朱福英;  王玟珉;  俞国庆;  阮美龄;  陈宏;  黄荣彬;  郑兰荪
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团簇碰撞中双团簇分子(Na_9)_2的形成研究 期刊论文
原子与分子物理学报, 2000, 卷号: 17, 期号: 2, 页码: 261-265
Authors:  张丰收;  王锋;  朱志远;  柯学志
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有限温度下Na4团簇的异构化 期刊论文
原子与分子物理学报, 1999, 期号: 01
Authors:  王锋;  张丰收;  柯学志;  朱志远
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