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高能物理研究所 [7]
兰州理工大学 [4]
大连化学物理研究所 [4]
北京大学 [2]
地质与地球物理研究所 [2]
武汉物理与数学研究所 [2]
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期刊论文 [34]
发表日期
2017 [34]
学科主题
Materials ... [1]
材料科学与物理化学 [1]
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Theoretical insights into the uranyl adsorption behavior on vanadium carbide mxene
期刊论文
Applied surface science, 2017, 卷号: 426, 页码: 572-578
作者:
Zhang, Yu-Juan
;
Zhou, Zhang-Jian
;
Lan, Jian-Hui
;
Ge, Chang-Chun
;
Chai, Zhi-Fang
收藏
  |  
浏览/下载:75/0
  |  
提交时间:2019/04/23
Nuclear waste remediation
Uranyl ion
First principle simulations
Vanadium carbide mxene
Adsorption mechanism
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
Shale Gas Content Calculation of the Triassic Yanchang Formation in the Southeastern Ordos Basin, China
期刊论文
ENERGIES, 2017, 卷号: 10, 期号: 12
作者:
Su, Jiao
;
Shen, Yingchu
;
Hao, Jin
;
Liu, Bo
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2018/09/26
Shale Gas
Lost Shale Gas Content
Oil Dissolved Shale Gas Content
Improved Usbm Method
Ordos Basin
Shale Gas Content Calculation of the Triassic Yanchang Formation in the Southeastern Ordos Basin, China
期刊论文
ENERGIES, 2017, 卷号: 10, 期号: 12
作者:
Su, Jiao
;
Shen, Yingchu
;
Hao, Jin
;
Liu, Bo
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2018/09/26
Shale Gas
Lost Shale Gas Content
Oil Dissolved Shale Gas Content
Improved Usbm Method
Ordos Basin
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
Adsorption properties of oxygen atom on the surface of Ti2AlNb by first principles calculations
期刊论文
ELSEVIER SCIENCE BV, 2017, 卷号: 139, 页码: 412-418
作者:
Li, Yue
;
Dai, Jianhong
;
Song, Yan
;
Yang, Rui
;
Song, Y (reprint author), Harbin Inst Technol Weihai, Sch Mat Sci & Engn, 2 West Wenhua Rd, Weihai 264209, Peoples R China.
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  |  
浏览/下载:20/0
  |  
提交时间:2018/01/10
Density Functional Theory
Ti2alnb
Oxygen Adsorption
Influence of nickel(II) oxide surface magnetism on molecule adsorption: A first-principles study
期刊论文
CHINESE JOURNAL OF CATALYSIS, 2017, 卷号: 38, 期号: 10, 页码: 1736-1748
作者:
Huang, Chuan-Qi
;
Li, Wei-Xue
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2017/12/19
Magnetism
Surface orientation
Molecule adsorption
First-principles theory
Electronic structure
Influence of nickel(II) oxide surface magnetism on molecule adsorption: A first-principles study
期刊论文
CHINESE JOURNAL OF CATALYSIS, 2017, 卷号: 38, 期号: 10, 页码: 1736-1748
作者:
Huang, Chuan-Qi
;
Li, Wei-Xue
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2017/12/19
Magnetism
Surface orientation
Molecule adsorption
First-principles theory
Electronic structure
Structural and electronic analysis of Li/Al layered double hydroxides and their adsorption for CO2
期刊论文
APPLIED SURFACE SCIENCE, 2017, 卷号: 416, 页码: 411-423
作者:
Hou, Xin-Juan
;
Li, Huiquan
;
He, Peng
;
Sun, Zhenhua
;
Li, Shaopeng
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2017/07/17
Li/al Layered Double Hydroxides
Co2
Non-covalent Interaction Analysis
Density Functional Theory
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