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科研机构
高能物理研究所 [12]
合肥物质科学研究院 [11]
兰州理工大学 [9]
化学研究所 [4]
上海应用物理研究所 [4]
北京大学 [3]
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内容类型
期刊论文 [63]
发表日期
2017 [63]
学科主题
材料科学与物理化学 [2]
Chemistry,... [1]
Materials ... [1]
Metallurgy... [1]
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浏览/检索结果:
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发表日期:2017
内容类型:期刊论文
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Li-decorated β12-borophene as potential candidates for hydrogen storage: A first-principle study
期刊论文
Materials, 2017, 卷号: 10, 期号: 12
作者:
Liu, Tingting
;
Chen, Yuhong
;
Wang, Haifeng
;
Zhang, Meiling
;
Yuan, Lihua
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2020/11/14
Calculations
Density functional theory
Electronic structure
Molecules
Adsorption energies
Adsorption site
First-principle study
First-principles calculation
Hydrogen storage capacities
Hydrogen storage properties
Numerical calculation
Storage performance
The electronic and mechanical properties of tetragonal YB2C as explored by first-principles methods
期刊论文
ELSEVIER SCIENCE SA, 2017, 卷号: 726, 页码: 173-178
作者:
Ma, Huannan
;
Mi, Guofa
;
Cheng, Xiyue
;
Liu, Chen
;
Li, Dianzhong
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  |  
浏览/下载:221/0
  |  
提交时间:2018/01/10
Layered Rare Earth Borocarbide
Electronic Structure
Ideal Strength
First-principle Calculations
A first-principles study of gas molecule adsorption on borophene
期刊论文
AIP ADVANCES, 2017, 卷号: 7, 期号: 12
作者:
Liu, Tingting
;
Chen, Yuhong
;
Zhang, Meiling
;
Yuan, Lihua
;
Zhang, Cairong
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2019/11/15
Adsorption
Ammonia
Calculations
Chemisorption
Electronic properties
Gases
Molecules
Nitrogen oxides
Adsorption energies
Anisotropic structure
Electrical conductivity
Electron acceptor
First-principles study
Gas molecule adsorption
Research interests
Two-dimensional materials
Li-Decorated (12)-Borophene as Potential Candidates for Hydrogen Storage: A First-Principle Study
期刊论文
MATERIALS, 2017, 卷号: 10, 期号: 12
作者:
Liu, Tingting
;
Chen, Yuhong
;
Wang, Haifeng
;
Zhang, Meiling
;
Yuan, Lihua
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2019/11/15
(12)-borophene
Li-decorated
hydrogen storage
first-principles calculations
A theoretical explanation of RbBH4's fractionally occupied ground-state phase and the reorientational motion of the [BH4](-) group
期刊论文
JOURNAL OF PHYSICS D-APPLIED PHYSICS, 2017, 卷号: 50, 页码: 12
作者:
Chen, Lei
;
Song, Qi
;
Zhou, Bo
;
Zhang, Xiaodong
;
Jiang, Zhenyi
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2018/05/31
first-principles calculations
fractional occupied ground-state phase
hydrogen storage
alkaline metal borohydrides
Concentration-Directed Polymorphic Surface Covalent Organic Frameworks: Rhombus, Parallelogram, and Kagome
期刊论文
ACS NANO, 2017, 卷号: 11, 期号: 11, 页码: 11694-11700
作者:
Mo, Yi-Ping
;
Liu, Xuan-He
;
Wang, Dong
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  |  
浏览/下载:19/0
  |  
提交时间:2018/03/12
Surface Covalent Organic Frameworks
Kagome
Scanning Tunneling Microscopy
Monomer Concentration
Dynamic Covalent Bonds
Quasi 3d polymerization in c-60 bilayers in a fullerene solvate
期刊论文
Carbon, 2017, 卷号: 124, 页码: 499-505
作者:
Pei, Cuiying
;
Feng, Meina
;
Yang, Zhenxing
;
Yao, Mingguang
;
Yuan, Ye
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  |  
浏览/下载:38/0
  |  
提交时间:2019/04/23
Solvate fullerene
Polymerization
High pressure
Spectroscopy
Synchrotron xrd
Preparation and Characterization of Graphene Oxide-Grafted Hexadecanol Composite Phase-Change Material for Thermal Energy Storage
期刊论文
ENERGY TECHNOLOGY, 2017, 卷号: 5, 期号: 11, 页码: 2005-2014
作者:
Wang, Yi
;
Liu, Zhou
;
Zhang, Ting
;
Zhang, Zhengfei
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2019/11/15
composite materials
graphene
phase change materials
surface chemistry
thermal energy storage
Noble gas bond and the behaviour of XeO3 under pressure
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 卷号: 19, 期号: 40, 页码: 27463-27467
作者:
Hou, Chunju
;
Wang, Xianlong
;
Botana, Jorge
;
Miao, Maosheng
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2019/06/17
Theoretically unraveling the separation of am(iii)/eu(iii): insights from mixed n,o-donor ligands with variations of central heterocyclic moieties
期刊论文
Physical chemistry chemical physics, 2017, 卷号: 19, 期号: 39, 页码: 26969-26979
作者:
Wu, Qun-Yan
;
Song, Yu-Ting
;
Ji, Lin
;
Wang, Cong-Zhi
;
Chai, Zhi-Fang
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2019/04/23
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