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Chinese Academy of Sciences Institutional Repositories Grid
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期刊论文 [27]
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Accurate prediction of vacancy cluster structures and energetics in bcc transition metals
期刊论文
OAI收割
ACTA MATERIALIA, 2021, 卷号: 211
作者:
Hou, Jie
;
You, Yu-Wei
;
Kong, Xiang-Shan
;
Song, Jun
;
Liu, C. S.
  |  
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2021/08/30
Nanovoid
bcc Metal
Multi-scale modelling
Crystal defects
Unexpected structural complexity of thorium coordination polymers and polyoxo cluster built from simple formate ligands
期刊论文
OAI收割
INORGANIC CHEMISTRY FRONTIERS, 2020, 卷号: 7, 期号: 1, 页码: 260-269
作者:
Li, ZJ
;
Guo, SY
;
Lu, HJ
  |  
收藏
  |  
浏览/下载:43/0
  |  
提交时间:2021/09/06
METAL-ORGANIC FRAMEWORKS
OXO CLUSTER
HEXANUCLEAR
HYDROLYSIS
PLUTONIUM
DEFECTS
UIO-66
SEPARATION
MOLECULES
CHEMISTRY
Emergent Ferroelectricity in Otherwise Nonferroelectric Oxides by Oxygen Vacancy Design at Heterointerfaces
期刊论文
OAI收割
ACS APPLIED MATERIALS & INTERFACES, 2020, 卷号: 12, 期号: 40, 页码: 45602-45610
作者:
He, Ri
;
Lin, Jun Liang
;
Liu, Qing
;
Liao, Zhaoliang
;
Shui, Lingling
  |  
收藏
  |  
浏览/下载:47/0
  |  
提交时间:2020/12/16
METAL-INSULATOR-TRANSITION
TOTAL-ENERGY CALCULATIONS
ELECTRIC-FIELD CONTROL
INDUCED POLARIZATION
CRITICAL THICKNESS
THIN-FILM
SRTIO3
SYMMETRY
DEFECTS
SUPERCONDUCTIVITY
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
OAI收割
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:25/0
  |  
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
OAI收割
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:17/0
  |  
提交时间:2021/02/02
Defects
Single atom catalysis
Metal-support interaction
Zr-Metal-Organic Frameworks Featuring TEMPO Radicals: Synergistic Effect between TEMPO and Hydrophilic Zr-Node Defects Boosting Aerobic Oxidation of Alcohols
期刊论文
OAI收割
ACS APPLIED MATERIALS & INTERFACES, 2019, 卷号: 11, 期号: 3, 页码: 3034-3043
作者:
Zhuang, Jin-Liang
;
Liu, Xiang-Yue
;
Zhang, Yu
;
Wang, Chen
;
Mao, Hui-Ling
  |  
收藏
  |  
浏览/下载:65/0
  |  
提交时间:2019/04/03
metal-organic frameworks
TEMPO radical
alcohol oxidation
synergistic effect
defects
Metal-free catalytic ozonation on surface-engineered graphene: Microwave reduction and heteroatom doping
期刊论文
OAI收割
CHEMICAL ENGINEERING JOURNAL, 2019, 卷号: 355, 页码: 118-129
作者:
Wang, Yuxian
;
Cao, Hongbin
;
Chen, Chunmao
;
Xie, Yongbing
;
Sun, Hongqi
  |  
收藏
  |  
浏览/下载:60/0
  |  
提交时间:2018/11/02
Metal-free oxidation
N-doping
Microwave
Defects
Catalytic ozonation
ROS
Adsorption and desorption of hydrogen on/from single-vacancy and double-vacancy graphenes
期刊论文
OAI收割
NUCLEAR SCIENCE AND TECHNIQUES, 2019, 卷号: 30, 期号: 4, 页码: —
作者:
Wu, XJ
;
Fei, ZJ
;
Liu, WG
;
Tan, J
;
Wang, GH
  |  
收藏
  |  
浏览/下载:69/0
  |  
提交时间:2019/12/30
METAL-FREE CATALYST
STORAGE
ATOM
CO
GRAPHITE
MOLECULES
EXCHANGE
HYDRIDES
DEFECTS
GAS
First-principles study on the mechanical properties of M2CT2 (M = Ti, Zr, Hf; T = O, F, OH) MXenes
期刊论文
OAI收割
NUCLEAR SCIENCE AND TECHNIQUES, 2019, 卷号: 30, 期号: 11, 页码: -
作者:
Lu, YC
;
Ren, CL
  |  
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2020/10/16
Transition-metal Carbide
Electronic-properties
Elastic Properties
Strength
Defects
Anode
Controllable oxygen vacancies, orbital occupancy and magnetic ordering in SrCoO3-delta films
期刊论文
OAI收割
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2018, 卷号: 454, 页码: 228-236
作者:
Gu, YD
;
Song, C
;
Zhang, HR
;
Wang, ZC
;
Cui, B
  |  
收藏
  |  
浏览/下载:37/0
  |  
提交时间:2018/06/05
Transition-metal Oxides
Phase-transformation
Redox Reactions
Ground-state
Nanoscale
Srcoo2.5
Defects
Physics