石墨碳高压相变的第一性原理动力学模拟计算研究

11274356
2012
A2011.表面界面与低维物理
王建涛
面上项目
研究员
中国科学院物理研究所
78万元
石墨;晶体结构;金刚石;高压相变;第一性原理计算
2013-01-01到2016-12-31
  • 中英文摘要
  • 结题摘要
  • 结题报告
  • 项目成果
  • 项目参与人
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序号 标题 类型 作者
1 A New Carbon Allotrope with Six-Fold Helical Chains in all-sp2 Bonding Networks 期刊论文 Jian Tao Wang|Changfeng Chen|Enge Wang|Yoshiyuki Kawazoe|
2 Three-dimensional polymeric structures of single-wall carbon nanotubes 期刊论文 Lian, Chao-Sheng|Wang, Jian-Tao|
3 Three-dimensional three-connected tetragonal BN: Ab initio calculations 期刊论文 Niu, Chun-Yao|Wang, Jian-Tao|
4 Prediction of a new two-dimensional metallic carbon allotrope 期刊论文 Xin-Quan Wang|Han-Dong Li|Jian-Tao Wang|
5 Structural and electronic properties of linear and angular polycyclic aromatic hydrocarbons 期刊论文 Fan, Xue-Lan|Wang, Xin-Quan|Wang, Jian-Tao|Li, Han-Dong|
6 Phase stability and transition of BaSi2-type disilicides and digermanides 期刊论文 Jian-Tao Wang|Changfeng Chen|Yoshiyuki Kawazoe|
7 Body-Centered Orthorhombic C-16: A Novel Topological Node-Line Semimetal 期刊论文 Nie, Simin|Fang, Zhong|Kawazoe, Yoshiyuki|Chen, Changfeng|
8 Ab initio prediction of superdense tetragonal and monoclinic polymorphs of carbon 期刊论文 Li, Zhen-Zhen|Wang, Jian-Tao|Xu, Li-Fang|Chen, Changfeng|
9 Kinetic Origin of Divergent Decompression Pathways in Silicon and Germanium 期刊论文 Wang, Jian-Tao|Chen, Changfeng|Mizuseki, Hiroshi|Kawazoe, Yoshiyuki|
10 K-6 carbon: A metallic carbon allotrope in sp(3) bonding networks 期刊论文 Niu, Chun-Yao|Wang, Xin-Quan|Wang, Jian-Tao|
11 Hydrogenated K4 carbon: A new stable cubic gauche structure of carbon hydride 期刊论文 Chao-Sheng Lian|Xin-Quan Wang|Jian-Tao Wang|
12 Computational prediction of body-centered cubic carbon in an all-sp3 six-member ring configuration 期刊论文 Jing Xu|Li-Fang Xu|Jian-Tao Wang|Changfeng Chen|
13 H-18 Carbon: A New Metallic Phase with sp(2)-sp(3) Hybridized Bonding Network 期刊论文 Ren, Xiao Yan|Wang, Jian-Tao|Cho, Jun-Hyung|Jia, Yu|
14 Three-Dimensional Carbon Allotropes Comprising Phenyl Rings and Acetylenic Chains in sp plus sp(2) Hybrid Networks 期刊论文 Chen, Changfeng|Li, Han-Dong|Mizuseki, Hiroshi|Kawazoe, Yoshiyuki|
15 Structural stability and electronic properties of carbon star lattice monolayer 期刊论文 Niu Chun-Yao|Wang Xin-Quan|Wang Jian-Tao|Li Han-Dong|
16 Crystalline structures of polymeric hydrocarbon with 3,4-fold helical chains 期刊论文 Chao-Sheng Lian|Han-Dong Li|Jian-Tao Wang|
17 New Carbon Allotropes with Helical Chains of Complementary Chirality Connected by Ethene-type pi-Conjugation 期刊论文 Wang, Jian-Tao|Chen, Changfeng|Kawazoe, Yoshiyuki|
18 Energetics and kinetics of direct phase conversion from graphite to diamond 期刊论文 Wang JianTao|
19 Mechanism for direct graphite-to-diamond phase transition 期刊论文 Yin, Fuxing|Yu, Tao|Wang, Jian-Tao|Liang, Chunyong|
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