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Distinct structure-activity relationship and reaction mechanism over BaCoO
3
/CeO
2
catalysts for NO direct decomposition
期刊论文
APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY, 2024, 卷号: 350, 页码: 13
Authors:
Kang, Running
;
Wang, Xuehai
;
Huang, Junqin
;
An, Sufeng
;
Wang, Lu
;
Wang, Gang
;
Chen, Hong
;
Zhang, Cuijuan
;
Bin, Feng
;
Li, Yongdan
Favorite
  |  
View/Download:4/0
  |  
Submit date:2024/06/14
NO direct decomposition
Perovskite
BaCoO3
CeO2 morphology
Reaction mechanism
Global Potential Energy Surfaces by Compressed-State Multistate Pair-Density Functional Theory for Hyperthermal Collisions in the O
2
+O
2
System
期刊论文
CHEMPHYSCHEM, 2024, 页码: 15
Authors:
Jiang, Jie
;
Yang, Jiawei
;
Hong QZ(洪启臻)
;
Sun QH(孙泉华)
;
Li, Jun
Favorite
  |  
View/Download:19/0
  |  
Submit date:2024/05/27
Modulation the reaction paths of oxygen removal by electronic effects for Fe5C2(100) surfaces
期刊论文
APPLIED SURFACE SCIENCE, 2023, 卷号: 640, 页码: 10
Authors:
Gong, Huiyong
;
Yuan XZ(袁晓泽)
;
Qing, Ming
;
Liu, Jinjia
;
Han, Xiao
;
Wang, Hong
;
Wen, XiaoDong
;
Yang, Yong
;
Li, Yongwang
Adobe PDF(9525Kb)
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View/Download:118/7
  |  
Submit date:2023/10/16
Transition metals
Electronic effects
Oxygen removal
Electronegativity
Bonding analysis
Theoretical Exploration of Properties of Iron-Silicon Interface Constructed by Depositing Fe on Si(111)-(7x7)
期刊论文
MOLECULES, 2023, 卷号: 28, 期号: 20, 页码: 13
Authors:
Yin, JunQing
;
Zhang, YanPing
;
You, Yong
;
Wang, ZhenHua
;
Zhao, JianQiang
;
Peng Q(彭庆)
Adobe PDF(5466Kb)
  |  
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View/Download:92/12
  |  
Submit date:2023/11/28
iron
Si(111)-(7x7)
iron-silicon interface
CO adsorption
density functional theory
Assessing Effects of van der Waals Corrections on Elasticity of Mg
3
Bi
2-x
Sb
x
in DFT Calculations
期刊论文
MATERIALS, 2023, 卷号: 16, 期号: 19, 页码: 15
Authors:
Peng Q(彭庆)
;
Ma, Xinjie
;
Yang, Xiaoyu
;
Zhao, Shuai
;
Yuan XZ(袁晓泽)
;
Chen, Xiaojia
Adobe PDF(3669Kb)
  |  
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View/Download:104/5
  |  
Submit date:2023/11/13
thermoelectric materials
PBE-D3
vdW-DFq
first-principles calculation
Mg3Bi2-xSbx
Growth Anisotropy and Morphology Evolution of Line Defects in Monolayer MoS
2
: Atomic-Level Observation, Large-Scale Statistics, and Mechanism Understanding
期刊论文
SMALL, 2023, 页码: 11
Authors:
Li, Shouheng
;
Lin JG(林金国)
;
Chen, Yun
;
Luo, Zheng
;
Cheng, Haifeng
;
Liu F(刘峰)
;
Zhang, Jin
;
Wang, Shanshan
Adobe PDF(3735Kb)
  |  
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  |  
View/Download:107/4
  |  
Submit date:2023/10/23
2D materials
AC-transmission electron microscopy (TEM)
growth anisotropy
line defects
morphology
MoS2
Hydrogen trapping in vanadium carbide alloyed with transition metals
期刊论文
NUCLEAR MATERIALS AND ENERGY, 2023, 卷号: 36, 页码: 11
Authors:
Tang, Shuai
;
Li, Linxian
;
Yan, Haile
;
Jin, Jianfeng
;
Peng Q(彭庆)
;
Cai, Minghui
;
Li, Jianping
;
Liu, Zhenyu
;
Wang, Guodong
Adobe PDF(7779Kb)
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View/Download:84/11
  |  
Submit date:2023/11/28
Hydrogen barrier coating
Vanadium carbide
First-principles calculations
Transition-metal alloying
Short-range order and its impacts on the BCC MoNbTaW multi-principal element alloy by the machine-learning potential
期刊论文
ACTA MATERIALIA, 2023, 卷号: 255, 页码: 119041
Authors:
Santosflorez, Pedro A
;
Dai SC(戴仕诚)
;
Yao, Yi
;
Yanxon, Howard
;
Li, Lin
;
Wang YJ(王云江)
;
Zhu, Qiang
;
Yu, Xiaoxiang
Adobe PDF(6513Kb)
  |  
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View/Download:92/6
  |  
Submit date:2023/07/17
Multi -principal element alloys
Short-range order
Machine -learning potential
Displacement vorticity as the origin of moire potentials in twisted WSe2/MoSe2 bilayers
期刊论文
MATTER, 2023, 卷号: 6, 期号: 2, 页码: 493-505
Authors:
Geng, Wen Tong
;
Lin, Jian Bo
;
Wang, Vei
;
Gu, Qiang
;
Peng Q(彭庆)
;
Ohno, Takahisa
;
Nara, Jun
Adobe PDF(4346Kb)
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View/Download:53/8
  |  
Submit date:2023/07/17
Unusually high corrosion resistance in MoxCrNiCo medium entropy alloy enhanced by acidity in aqueous solution
期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2023, 卷号: 139, 页码: 59-68
Authors:
Shuang S
;
Lyu, GJ
;
Chung D
;
Wang XZ
;
Gao X
;
Mao HH
;
Li WP
;
He QF
;
Guo BS
;
Zhong XY
;
Wang YJ(王云江)
;
Yang Y
Adobe PDF(3744Kb)
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View/Download:177/12
  |  
Submit date:2022/12/20
Corrosion
Passivation
Alloy design
Multi-principal element alloys
Medium-entropy alloys