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合肥物质科学研究院 [29]
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期刊论文 [339]
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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
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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
Structural, electronic, and thermodynamic properties of curium dioxide: density functional theory calculations
期刊论文
Physical review b, 2017, 卷号: 96, 期号: 23, 页码: 13
作者:
Hou, Ling
;
Li, Wei-Dong
;
Wang, Fangwei
;
Eriksson, Olle
;
Wang, Bao-Tian
收藏
  |  
浏览/下载:33/0
  |  
提交时间:2019/04/23
Carbon vacancies in Ti2CT2 MXenes: defects or a new opportunity?
期刊论文
ROYAL SOC CHEMISTRY, 2017, 卷号: 19, 期号: 47, 页码: 31773-31780
作者:
Hu, Tao
;
Yang, Jinxing
;
Wang, Xiaohui
;
Wang, XH (reprint author), Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, Shenyang 110016, Liaoning, Peoples R China.
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浏览/下载:74/0
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提交时间:2018/01/10
Phase-field modeling and electronic structural analysis of flexoelectric effect at 180 degrees domain walls in ferroelectric PbTiO3
期刊论文
AMER INST PHYSICS, 2017, 卷号: 122, 期号: 22, 页码: -
作者:
Wang, Yu-Jia
;
Li, Jiangyu
;
Zhu, Yin-Lian
;
Ma, Xiu-Liang
;
Ma, XL (reprint author), Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, 72 Wenhua Rd, Shenyang 110016, Liaoning, Peoples R China.
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浏览/下载:9/0
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提交时间:2018/01/10
Phase-field modeling and electronic structural analysis of flexoelectric effect at 180 degrees domain walls in ferroelectric PbTiO3
期刊论文
JOURNAL OF APPLIED PHYSICS, 2017, 卷号: 122, 期号: 22
作者:
Wang, Yu-Jia
;
Li, Jiangyu
;
Zhu, Yin-Lian
;
Ma, Xiu-Liang
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  |  
浏览/下载:0/0
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提交时间:2019/11/15
Phase-field modeling and electronic structural analysis of flexoelectric effect at 180° domain walls in ferroelectric PbTiO3
期刊论文
Journal of Applied Physics, 2017, 卷号: 122, 期号: 22
作者:
Wang, Yu-Jia
;
Li, Jiangyu
;
Zhu, Yin-Lian
;
Ma, Xiu-Liang
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  |  
浏览/下载:14/0
  |  
提交时间:2020/11/14
Calculations
Electric fields
Ferroelectric materials
Ferroelectricity
Lead titanate
Polarization
Structural analysis
Titanium compounds
Electronic charge density
Electronic mechanisms
First-principles calculation
Flexoelectric effects
Nano scale
Phase field models
Phase-field simulation
Spontaneous polarizations
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
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提交时间:2018/01/10
Layered Rare Earth Borocarbide
Electronic Structure
Ideal Strength
First-principle Calculations
Structure-activity relationship of surface hydroxyl groups during NO2 adsorption and transformation on TiO2 nanoparticles
期刊论文
ENVIRONMENTAL SCIENCE-NANO, 2017, 卷号: 4, 期号: 12, 页码: 2388-2394
作者:
Ma, Jinzhu
;
He, Guangzhi
;
Liu, Chang
;
Ma, Qingxin
;
He, Hong
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  |  
浏览/下载:225/0
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提交时间:2018/07/25
Surface Structure
Ceria
Atomic Layer Reversal
Aberration-corrected Tem
First-principles Calculations
Structural, electronic, and elastic properties of equiatomic uzr alloys from first-principles
期刊论文
Journal of nuclear materials, 2017, 卷号: 496, 页码: 333-342
作者:
Zhang, Cheng-Bin
;
Li, Xiu-Ping
;
Li, Wei-Dong
;
Zhang, Ping
;
Yin, Wen
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  |  
浏览/下载:28/0
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提交时间:2019/04/23
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