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
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金属研究所 [12]
高能物理研究所 [3]
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期刊论文 [22]
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2022 [3]
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Theoretical design of BAs/WX2 (X = S, Se) heterostructures for high-performance photovoltaic applications from DFT calculations
期刊论文
OAI收割
APPLIED SURFACE SCIENCE, 2022, 卷号: 599, 页码: 11
作者:
Guan, Yue
;
Li, Xiaodan
;
Hu, Qingmiao
;
Zhao, Dandan
;
Zhang, Lin
  |  
收藏
  |  
浏览/下载:58/0
  |  
提交时间:2022/09/16
First principle calculations
2D materials
Heterojunction
Electronic structure
Electric field
Photovoltaic applications
Dynamic control and increase of working temperature range in Ni-Mn-In-Co MCE materials by hydrostatic pressure or biaxial stress
期刊论文
OAI收割
MATERIALS TODAY COMMUNICATIONS, 2022, 卷号: 32, 页码: 8
作者:
Ma, Tianyou
;
Zhang, Kun
;
Han, Binglun
;
Zhao, Lei
;
Zhao, Wenbin
  |  
收藏
  |  
浏览/下载:38/0
  |  
提交时间:2022/09/16
Martensitic transformation
Magnetic shape memory alloy
First Principle Calculations
Ni-Mn-In-Co
alloys
Electron emission mechanism of scandium-tungsten cathodes
期刊论文
OAI收割
INTERNATIONAL JOURNAL OF REFRACTORY METALS & HARD MATERIALS, 2022, 卷号: 105, 页码: 5
作者:
Cheng, Yin
;
Sun, Yuan
;
Zhou, Yizhou
;
Wang, Shiyang
;
Meng, Jie
  |  
收藏
  |  
浏览/下载:40/0
  |  
提交时间:2022/07/14
Thermoelectric materials
Crystal structure
Electronic structure
Density functional theory
First-principle calculations
The effect of Co and Cr substitutions for Ni on mechanical properties and plastic deformation mechanism of FeMnCoCrNi high entropy alloys
期刊论文
OAI收割
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2020, 卷号: 48, 页码: 146-155
作者:
Zhang, H. F.
;
Yan, H. L.
;
Yu, H.
;
Ji, Z. W.
;
Hu, Q. M.
  |  
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2021/02/02
High entropy alloys
First-principle calculations
Elastic constants
Ideal tensile strength
Stacking fault energy
The effect of Co and Cr substitutions for Ni on mechanical properties and plastic deformation mechanism of FeMnCoCrNi high entropy alloys
期刊论文
OAI收割
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2020, 卷号: 48, 页码: 146-155
作者:
Zhang, H. F.
;
Yan, H. L.
;
Yu, H.
;
Ji, Z. W.
;
Hu, Q. M.
  |  
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2021/02/02
High entropy alloys
First-principle calculations
Elastic constants
Ideal tensile strength
Stacking fault energy
Nitro-Group-Doped Fully Conjugated 2D Covalent Organic Polymers for Enhanced Oxygen Reduction Reaction
期刊论文
OAI收割
ACS SUSTAINABLE CHEMISTRY & ENGINEERING, 2020, 卷号: 8, 期号: 9, 页码: 3728-3733
作者:
Li, Yang
;
Peng, Peng
;
Liao, Zhijian
;
Huo, Feng
;
Liu, Yujia
  |  
收藏
  |  
浏览/下载:37/0
  |  
提交时间:2020/05/21
covalent organic polymers
oxygen reduction reaction
heteroatom doping
nitrogen doping
first-principle calculations
Equilibrium inter-mineral titanium isotope fractionation: Implication for high-temperature titanium isotope geochemistry
期刊论文
OAI收割
GEOCHIMICA ET COSMOCHIMICA ACTA, 2020, 卷号: 269, 页码: 540-553
作者:
Wang, Wenzhong
;
Huang, Shichun
;
Huang, Fang
;
Zhao, Xinmiao
;
Wu, Zhongqing
  |  
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2020/05/19
Ti isotopes
First-principle calculations
Fe-Ti oxides
Silicate minerals
Equilibrium fractionation factors
Magma differentiation
Ba-3(BO3)(CO3)F: The First Borate Carbonate Fluoride Synthesized by the High-Temperature Solution Method
期刊论文
OAI收割
CHEMISTRY-A EUROPEAN JOURNAL, 2020, 卷号: 26, 期号: 70, 页码: 16628-16632
作者:
Huang, CM (Huang, Chunmei)[ 1,2 ]
;
Zhang, FF (Zhang, Fangfang)[ 1,2 ]
;
Cheng, SC (Cheng, Shichao)[ 1 ]
;
Yang, ZH (Yang, Zhihua)[ 1,2 ]
;
Li, H (Li, Hao)[ 1,2 ]
  |  
收藏
  |  
浏览/下载:47/0
  |  
提交时间:2021/01/05
borate carbonate
borate fluoride
first-principle calculations
synthesis
Iron-incorporated chalcopyrite of an intermediate band for improving solar wide-spectrum absorption
期刊论文
OAI收割
JOURNAL OF SOLID STATE CHEMISTRY, 2019, 卷号: 277, 页码: 388
作者:
Hu, Keyan
;
Zhao, Yu
;
Wang, Dong
;
Zhang, Shaoning
;
Zheng, Chong
  |  
收藏
  |  
浏览/下载:90/0
  |  
提交时间:2019/12/26
Intermediate bands
Fe-doped chalcopyrite
First principle calculations
Solar thermal collection
Photocatalytic degradation
Manipulating the Structural and Electronic Properties of Epitaxial SrCoO2.5 Thin Films by Tuning the Epitaxial Strain
期刊论文
OAI收割
ACS APPLIED MATERIALS & INTERFACES, 2018, 卷号: 10, 期号: 12, 页码: 10211-10219
作者:
Ge, C
;
He, M
;
Long, YW
;
Wang, JO
;
Qian, HJ
  |  
收藏
  |  
浏览/下载:84/0
  |  
提交时间:2019/09/24
SrCoO2.5 thin films
epitaxial strain
electronic structure
Raman scattering
first-principle calculations