中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
金属研究所 [8]
近代物理研究所 [3]
合肥物质科学研究院 [2]
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期刊论文 [17]
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2025 [1]
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2019 [3]
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Materials ... [1]
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Influence of atomic coordination on the activity of lattice oxygen and catalytic oxidation of toluene over regular Cu2O crystalline
期刊论文
OAI收割
JOURNAL OF HAZARDOUS MATERIALS, 2025, 卷号: 484, 页码: 12
作者:
Deng, Linlin
;
Li, Mingtai
;
Gao X(高鑫)
;
Yi XK(衣晓坤)
;
Zhao, Yang
  |  
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2025/01/13
Toluene oxidation
Cu 2 O catalyst
Lattice oxygen
Oxygen vacancy formation energy
Atomic coordination
Prediction of vacancy formation energies at tungsten grain boundaries from local structure via machine learning method
期刊论文
OAI收割
JOURNAL OF NUCLEAR MATERIALS, 2022, 卷号: 559
作者:
Wang, Yuxuan
;
Li, Xiaolin
;
Li, Xiangyan
;
Zhang, Yuxiang
;
Zhang, Yange
  |  
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2022/12/23
Vacancy formation energy
Machine learning
Tungsten
Symmetry tilt grain boundary
Support vector machine
Cross validation
Materials selection for nuclear applications in view of divacancy energies by comprehensive first-principles calculations
期刊论文
OAI收割
JOURNAL OF NUCLEAR MATERIALS, 2020, 卷号: 538
作者:
Zhang, Pengbo
;
Li, Yonggang
;
Zhao, Jijun
  |  
收藏
  |  
浏览/下载:41/0
  |  
提交时间:2020/10/26
Metals
Di-vacancy formation energy
Vacancy binding energy
Irradiation performance
First-principles calculations
Improving Syngas Selectivity of Fe2O3/Al2O3 with Yttrium Modification in Chemical Looping Methane Conversion
期刊论文
OAI收割
ACS CATALYSIS, 2019, 卷号: 9, 期号: 9, 页码: 8373-8382
作者:
Kang, Yu
;
Tian, Ming
;
Huang, Chuande
;
Lin, Jian
;
Hou, Baolin
  |  
收藏
  |  
浏览/下载:96/0
  |  
提交时间:2019/12/02
CH4 conversion
chemical looping reforming
Fe-based OCs
garnet
oxygen vacancy formation energy
First-principles investigation of the vacancy-related properties of Ta2AlC
期刊论文
OAI收割
MODERN PHYSICS LETTERS B, 2019, 卷号: 33, 期号: 18, 页码: 7
作者:
Liu, Jitao
;
Meng, Zhaocang
;
Liu, Jiajia
;
Zhu, Xiaolu
;
Wang, Canglong
  |  
收藏
  |  
浏览/下载:51/0
  |  
提交时间:2019/11/10
Ta2AlC
vacancy formation energy
first-principles calculations
Effect of residual hydrogen on microstructure and magnetic properties of Sm(Co0.647Fe0.28Cu0.053Zr0.02)(7.)(84) magnets
期刊论文
OAI收割
JOURNAL OF ALLOYS AND COMPOUNDS, 2019, 卷号: 795, 页码: 513-518
作者:
Zhang, Chaoyue
;
Liu, Zhuang
;
Wang, Guangqing
;
Yan, Guanghui
;
Chen, Renjie
  |  
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2019/12/18
NUMERICAL-SIMULATION
VACANCY FORMATION
Mechanism of improved electromigration reliability using Fe-Ni UBM in wafer level package
期刊论文
OAI收割
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2018, 卷号: 34, 期号: 8, 页码: 1305-1314
作者:
Gao, LY
;
Zhang, H
;
Li, CF
;
Guo, JD
;
Liu, ZQ
  |  
收藏
  |  
浏览/下载:40/0
  |  
提交时间:2018/12/25
Fe-Ni under bump metallization (UBM)
Intermetallic compounds (IMCs)
Electromigration (EM)
Diffusion
Vacancy formation
First-principles investigation of vacancies in LiTaO3
期刊论文
OAI收割
JOURNAL OF PHYSICS-CONDENSED MATTER, 2016, 卷号: 28, 页码: 8
作者:
Wang, Dong
;
Gao, Ning
;
Wang, Zhiguang
;
He, Wenhao
;
Gao, Xing
  |  
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2018/05/31
lithium tantalate
formation energy
vacancy
light absorption
The monovacancy formation energy and its effect on the electronic property, the lattice parameters and the hardness of the new found MAX phase, Nb2GeC
期刊论文
OAI收割
COMPUTATIONAL MATERIALS SCIENCE, 2014, 卷号: 82, 页码: 521-524
作者:
Chen, Jun-Jun
;
Duan, Ji-Zheng
;
Wang, Cang-Long
;
Duan, Wen-Shan
;
Yang, Lei
  |  
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2018/07/05
Max Phase
First Principle
Vacancy Formation Energy
Structural stability and mechanical properties of phosphorus modified Ni-Fe based superalloy GH984
期刊论文
OAI收割
Materials Research Innovations, 2014, 卷号: 18, 页码: 324-330
C.
;
Zhao Wang, H.
;
Guo, Y.
;
Guo, J.
;
Zhou, L.
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2015/05/08
700 degrees C A-USC
Ni-Fe based superalloy GH984
Phosphorus
Structural stability
Mechanical properties
vacancy formation energies
reducing grain-boundary
coal power-plants
solute segregation
dislocation line
alloy
microstructure
boron