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Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
上海应用物理研究所 [10]
宁波材料技术与工程研... [8]
金属研究所 [3]
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新疆理化技术研究所 [1]
过程工程研究所 [1]
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OAI收割 [26]
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期刊论文 [26]
发表日期
2020 [26]
学科主题
Materials ... [4]
Chemistry [3]
Physics [3]
Nuclear Sc... [1]
Science & ... [1]
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发表日期:2020
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Modulating Electronic Structure of Monolayer Transition Metal Dichalcogenides by Substitutional Nb-Doping
期刊论文
OAI收割
ADVANCED FUNCTIONAL MATERIALS, 2020, 页码: 7
作者:
Tang, Lei
;
Xu, Runzhang
;
Tan, Junyang
;
Luo, Yuting
;
Zou, Jingyun
  |  
收藏
  |  
浏览/下载:33/0
  |  
提交时间:2021/02/02
2D materials
bandgap
doping
electronic structure
TMDCs
AN AB INITIO INVESTIGATION OF THE EFFECT OF Co, Ru, W, Ta ON THE STABILITY AND ELECTRONIC PROPERTIES OF Ni-BASE SINGLE CRYSTAL SUPERALLOYS
期刊论文
OAI收割
DIGEST JOURNAL OF NANOMATERIALS AND BIOSTRUCTURES, 2020, 卷号: 15, 期号: 4, 页码: 1215-1226
作者:
Liu, J.
;
Du, X.
;
Li, J.
  |  
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2021/03/15
Site occupancy
Ab initio calculations
Ni-based single crystal superalloys
Electronic structure
General synthesis of carbon and oxygen dual-doped graphitic carbon nitride via copolymerization for non-photochemical oxidation of organic pollutant
期刊论文
OAI收割
JOURNAL OF HAZARDOUS MATERIALS, 2020, 卷号: 394, 页码: 1-8
作者:
Zhu, Yue
;
Chen, Zhenhuan
;
Gao, Yaowen
;
Hu, Chun
  |  
收藏
  |  
浏览/下载:44/0
  |  
提交时间:2021/09/15
Graphitic carbon nitride
Nonmetal dual doping
Electronic structure
Persulfate
Electron transfer
Topological evolution of correlated band structures and heavy-fermion-like behavior in a molybdenum-based metal organic framework C48S36Mo6
期刊论文
OAI收割
JOURNAL OF PHYSICS-CONDENSED MATTER, 2020, 卷号: 32
作者:
Wu, Gang
;
Yang, Xiaoping
  |  
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2020/11/26
electronic structure
metal organic framework materials
electronic correlation
The differences and cooperativity between Ge (Sn)center dot center dot center dot O tetrel bonds and X (X = F, Cl, Br, and I)center dot center dot center dot O halogen bonds
期刊论文
OAI收割
CHEMICAL PHYSICS, 2020, 卷号: 534, 页码: 6
作者:
Li, Yuchun
;
Wang, Xiaoting
;
Wang, Hui
;
Lu, Yunxiang
;
Zhu, Zhengdan
  |  
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2020/07/01
Noncovalent bond
First-principles
Molecular structure
Electronic properties
Cooperative effect
First-principles comprehensive study of electronic and mechanical properties of novel uranium hydrides at different pressures
期刊论文
OAI收割
PROGRESS IN NATURAL SCIENCE-MATERIALS INTERNATIONAL, 2020, 卷号: 30, 期号: 2, 页码: 251-259
作者:
Liu, Min
;
Shi, Yongpeng
;
Liu, Mingfeng
;
Li, Dianzhong
;
Mo, Wenlin
  |  
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2021/02/02
Uranium hydrides
Structure search
Electronic properties
Mechanical properties
First-principles calculations
A Promising Fluorooxoborate Framework with Flexibile Capability for Diverse Cations to Enhance the Second Harmonic Generation
期刊论文
OAI收割
CHEMISTRY-A EUROPEAN JOURNAL, 2020, 卷号: 26, 期号: 17, 页码: 3723-3728
作者:
Cheng, SC (Cheng, Shichao)[ 1,2 ]
;
Mutailipu, M (Mutailipu, Miriding)[ 1,2 ]
;
Yang, ZH (Yang, Zhihua)[ 1,2 ]
;
Pan, SL (Pan, Shilie)[ 1,2 ]
  |  
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2020/04/21
d(10) metal cations
electronic structures
fluorooxoborates
nonlinear optical materials
second harmonic generation
structure-property relationships
Influences of MgO(001) and TiO2(101) Supports on the Structures and Properties of Au Nanoclusters
期刊论文
OAI收割
CATALYSTS, 2020, 卷号: 10, 期号: 1, 页码: 11
作者:
Gao, Jinhua
;
Ren, Yuehong
;
Han, Qingzhen
;
Wen, Hao
;
Jiang, Zhaotan
  |  
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2020/05/21
Au nanoclusters
adsorption
binding energy
electronic structure
catalytic activity
Gold catalysts containing interstitial carbon atoms boost hydrogenation activity
期刊论文
OAI收割
NATURE COMMUNICATIONS, 2020, 卷号: 11, 期号: 1, 页码: -
作者:
Sun, YF
;
Cao, YQ
;
Wang, LL
;
Mu, XT
;
Zhao, QF
  |  
收藏
  |  
浏览/下载:40/0
  |  
提交时间:2021/09/06
CHEMOSELECTIVE HYDROGENATION
ELECTRONIC-STRUCTURE
SUBSURFACE CARBON
AU NANOPARTICLES
CHARGE-TRANSFER
SURFACE
SIZE
DISSOCIATION
MECHANISM
OXIDE
An oxygen vacancy-rich two-dimensional Au/TiO2 hybrid for synergistically enhanced electrochemical N2 activation and reduction
期刊论文
OAI收割
Journal of Materials Chemistry A, 2020, 卷号: 8, 期号: 14, 页码: 6586-6596
作者:
Zhao, Sen
;
Liu, Han-Xuan
;
Qiu, Yu
;
Liu, Shuang-Quan
;
Diao, Jin-Xiang
  |  
收藏
  |  
浏览/下载:47/0
  |  
提交时间:2021/09/06
Gold compounds
Ammonia
Catalyst selectivity
Chemical activation
Electrocatalysts
Electronic structure
Nitrogen
Oxide minerals
Oxygen
Oxygen vacancies
Reduction
Titanium dioxide
Electrocatalytic activity
Electron
donating effects
Faradaic efficiencies
Nitrogen reduction
Rate
limiting steps
Reversible hydrogen electrodes
Technical challenges
Theoretical calculations