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Long-term behavior of vacancy defects in Pu-Ga alloy: Effects of temperature and Ga concentration
期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2021, 卷号: 1204, 页码: 10
作者:
Xu, Lei
;
Wang, Li-Fang
;
Chen, Xin
;
Gao, Xing-Yu
;
Shang, Hong-Hui
收藏
  |  
浏览/下载:53/0
  |  
提交时间:2021/12/01
Vacancy defects
Dynamical evolution
Pu-Ga alloy
Actinide metals
Atomistic kinetic Monte Carlo
Molecular dynamics
Materials selection for nuclear applications in view of divacancy energies by comprehensive first-principles calculations
期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2020, 卷号: 538
作者:
Zhang, Pengbo
;
Li, Yonggang
;
Zhao, Jijun
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  |  
浏览/下载:12/0
  |  
提交时间:2020/10/26
Metals
Di-vacancy formation energy
Vacancy binding energy
Irradiation performance
First-principles calculations
First principles investigations of hydrogen interaction with vacancy-oxygen complexes in vanadium alloys
期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2019, 卷号: 44, 期号: 48, 页码: 26637-26645
作者:
Zhang, Pengbo
;
Zou, Tingting
;
Feng, Shaobo
;
Zhao, Jijun
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2021/02/02
Hydrogen
Vacancy-oxygen
Vanadium alloys
First principles calculations
The stability and reactivity of transition metal atoms supported mono and di vacancies defected carbon based materials revealed from first principles study
期刊论文
APPLIED SURFACE SCIENCE, 2019, 卷号: 473, 页码: 777-784
作者:
Ali, Sajjad
;
Liu, Tianfu
;
Lian, Zan
;
Su, Dang Sheng
;
Li, Bo
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  |  
浏览/下载:7/0
  |  
提交时间:2021/02/02
Defects
Single atom catalysis
Metal-support interaction
The stability and reactivity of transition metal atoms supported mono and di vacancies defected carbon based materials revealed from first principles study
期刊论文
APPLIED SURFACE SCIENCE, 2019, 卷号: 473, 页码: 777-784
作者:
Ali, Sajjad
;
Liu, Tianfu
;
Lian, Zan
;
Su, Dang Sheng
;
Li, Bo
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2021/02/02
Defects
Single atom catalysis
Metal-support interaction
Defects coupling impacts on mono-layer wse2 tunneling field-effect transistors
期刊论文
Applied physics express, 2019, 卷号: 12, 期号: 3
作者:
Wu,Jixuan
;
Ma,Xiaolei
;
Chen,Jiezhi
;
Jiang,Xiangwei
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  |  
浏览/下载:236/0
  |  
提交时间:2019/05/12
Defect analysis of TiO2 doped with ytterbium and nitrogen by ab initio calculations
期刊论文
THEORETICAL CHEMISTRY ACCOUNTS, 2019, 卷号: 138, 期号: 2
作者:
Khan, Matiullah
;
Zeng, Yi
;
Zhenghua, Lan
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浏览/下载:50/0
  |  
提交时间:2019/12/26
Point defects
Ytterbium
Doping concentration
Charge compensation
First principles investigation of mono-vacancy defective properties of Cr2AlC
期刊论文
PHYSICA B-CONDENSED MATTER, 2019, 卷号: 552, 页码: 178-183
作者:
Ling, Wei Dong
;
Wei, Pan
;
Zhao, Da Qiang
;
Shao, Ya Ping
;
Duan, Ji Zheng
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  |  
浏览/下载:81/0
  |  
提交时间:2019/03/27
First-principle
Mono-vacancy
Migration
Conductivity
Hardness
Carbon vacancy defect-activated Pt cluster for hydrogen generation
期刊论文
JOURNAL OF MATERIALS CHEMISTRY A, 2019, 卷号: 7, 期号: 25, 页码: 15364-15370
作者:
Bao, XB
;
Gong, YT
;
Chen, YZ
;
Zhang, H
;
Wang, Z
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2020/10/16
OXYGEN REDUCTION REACTION
SINGLE-ATOM
CATALYSIS
NANOPARTICLES
EVOLUTION
NANOTUBES
GRAPHENE
SUPPORT
SITES
WATER
The stability of graphene-based Mobius strip with vacancy and at high-temperature
期刊论文
INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 2018, 卷号: 32, 期号: 31, 页码: 9
作者:
Yang, Kaishuai
;
Zhang, Chuanguo
;
Zheng, Xiaohong
;
Wang, Xianlong
;
Zeng, Zhi
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2020/03/31
Graphene-based Mobius strip
mono-vacancy defect
melting temperature
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