地幔温压条件下含水橄榄石的第一性原理研究

40874039
2008
D0407.地球内部物理学和地球动力学(含地热学)
赵纪军
面上项目
教授
大连理工大学
40万元
地幔;含水量;高温高压;橄榄石;第一性原理模拟
2009-01-01到2011-12-31
  • 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 Titanium-decorated graphene oxide for carbon monoxide capture and separation 期刊论文 Lili Wang|Jijun Zhao|Tianyin Yan|Lu Wang|Yi-Yang Sun|Shengbai B. Zhang|
2 What is the best density functional to describe water clusters: evaluation of widely used density functionals with various basis sets for (H(2)O) (n) (n=1-10) 期刊论文 Chen, Zhongfang|Wang, Lu|Riley, Kevin E.|Zhao, Jijun|Xie, John Rui-Hua|Li, Fengyu|
3 Characteristics of Raman spectra for graphene oxide from ab initio simulations 期刊论文 Jijun Zhao|Yi-Yang Sun|Shengbai B. Zhang|Lu Wang|
4 First-Principles Study of Water Chains Encapsulated in Single-Walled Carbon Nanotube 期刊论文 Wang, Lu|Fang, Haiping|Li, Fengyu|Lu, Jian Ping|Zhao, Jijun|
5 Mechanical and electronic properties of diamond nanowires under tensile strain from first principles 期刊论文 Jiang, Xue|Jiang, Xin|Zhao, Jijun|
6 Body-centered tetragonal B(2)N(2): a novel sp(3) bonding boron nitride polymorph 期刊论文 Wen, Bin|Tian, Yongjun|Zhao, Jijun|Melnik, Roderick|
7 Elastic behavior of (MgxFe1-x)2SiO4 olivine at high pressure from first-principles simulations 期刊论文 Liu, Wei|Liu, Hong|Du, Jianguo|Zhao, Jijun|Liu, Lei|
8 Elastic properties of hydrous forsterites under high pressure: First-principle calculations 期刊论文 Gao, Haili|Chen, Yuxiang|Zhao, Jijun|Liu, Hong|Liu, Lei|Du, Jianguo|
9 Structure, energetics, and heteroatom doping of armchair carbon nanotori 期刊论文 Liu, Lizhao|Zhang, Lei|Gao, Haili|Zhao, Jijun|
10 First-principles study of the effect of water on the phase transitions in Mg2SiO4 forsterite 期刊论文 Liu, Hong|Liu, Wei|Zhao, Jijun|Liu, Lei|Du, Jianguo|
11 Band Gap Tuning of Hydrogenated Graphene: H Coverage and Configuration Dependence 期刊论文 Zhao, Jijun|Ding, Feng|Wang, Lu|Lu, Jianping|Gao, Haili|
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