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兰州理工大学 [6]
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期刊论文 [55]
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The critical role of Si doping in enhancing the stability of M6C carbides
期刊论文
ELSEVIER SCIENCE SA, 2017, 卷号: 728, 页码: 917-926
作者:
Jiang, Li
;
Ye, Xiang-Xi
;
Wang, Zhi-Qiang
;
Yu, Cun
;
Dong, Jia-Sheng
收藏
  |  
浏览/下载:68/0
  |  
提交时间:2018/01/10
Si Doping
M6c Carbides
Stability
Si K-edge Xanes
First-principles Calculations
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
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  |  
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:220/0
  |  
提交时间:2018/01/10
Layered Rare Earth Borocarbide
Electronic Structure
Ideal Strength
First-principle Calculations
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
Microstructural characterization of the η-Ni3(Ti, Al) phase in a long-term-aged Ni-based superalloy
期刊论文
Philosophical Magazine Letters, 2017, 卷号: 97, 期号: 11, 页码: 442-449
作者:
Hu, X. B.
;
Guo, X. W.
;
Wang, Y. J.
;
Hou, J. S.
;
Qin, X. Z.
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  |  
浏览/下载:3/0
  |  
提交时间:2020/11/14
Defects
High resolution transmission electron microscopy
Superalloys
Transmission electron microscopy
First principle calculations
Interfacial features
Long term ageing
Micro-structural characterization
Microstructural features
Ni-based superalloys
Nickel- based superalloys
Orientation relationship
First principle study of electronic structures and optical absorption properties of O and S doped graphite phase carbon nitride (g-C3N4)(6) quantum dots
期刊论文
ACTA PHYSICA SINICA, 2017, 卷号: 66, 页码: 11
作者:
Zhai Shun-Cheng
;
Guo Ping
;
Zheng Ji-Ming
;
Zhao Pu-Ju
;
Suo Bing-Bing
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  |  
浏览/下载:30/0
  |  
提交时间:2018/05/31
(g-C3N4)(6) quantum dots
energy gap
doped
optical absorption
Dopant Induced Impurity Bands and Carrier Concentration Control for Thermoelectric Enhancement in p-Type Cr2Ge2Te6
期刊论文
CHEMISTRY OF MATERIALS, 2017, 卷号: 29, 期号: 17, 页码: 7401-7407
作者:
Tang, Xiaodan
;
Fang, Dengdong
;
Peng, Kunling
;
Yang, Dingfeng
;
Guo, Lijie
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  |  
浏览/下载:34/0
  |  
提交时间:2018/03/05
Migrating and clustering of He atoms in Ti3SiC2: First-principles calculations
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2017, 卷号: 137, 页码: 327-331
作者:
Song, Quan
;
Zhang, Peng
;
Zhuang, Jun
;
Ning, Xi-Jing
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2018/05/31
Density functional theory
Max phase
He clusters
Vacancy
New insights into a first principle calculation and experimental study of SnPb-Ge ternary-metal perovskites for potential photovoltaic application
期刊论文
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING, 2017, 卷号: 68, 页码: 159-164
作者:
Wang, Junxia
;
Yu, Dingshan
;
Xu, Xueqing
;
Shen, Honglie
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  |  
浏览/下载:21/0
  |  
提交时间:2017/10/13
Ternary-metal Perovskites
First Principle Calculations
Electronic Structure
How active sites facilitate charge-transfer interactions of silver and gold clusters with TCNQ?
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 卷号: 19, 期号: 32, 页码: 21777-21782
作者:
Chen, Jing
;
Luo, Zhixun
;
Yao, Jiannian
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  |  
浏览/下载:11/0
  |  
提交时间:2018/05/02
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