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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
作者:
Jiang, Jie
;
Yang, Jiawei
;
Hong QZ(洪启臻)
;
Sun QH(孙泉华)
;
Li, Jun
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2024/05/27
Theoretical and experimental investigations about the role of MXene nanosheets covered with ZnO quantum dots on barrier resistance of epoxy coatings
期刊论文
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING, 2024, 卷号: 12, 期号: 1, 页码: 15
作者:
Pourhashem, Sepideh
;
Seif, Abdolvahab
;
Zhou, Ziyang
;
Ji, Xiaohong
;
Sgroi, Mauro Francesco
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2024/04/07
Hybrid of MXene@ZnO QDs
Silane functionalization
Epoxy coating
Corrosion resistance
DFT studies
MXene supported PtCo bimetallic catalyst for hydrogen evolution in acidic conditions
期刊论文
FRONTIERS IN ENERGY, 2024, 页码: 9
作者:
Chen, Guangxun
;
Zhang, Jian-hua
;
Zhou, Kai-Ling
;
Yang, Yang
;
Ma, Haoxiang
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2024/03/04
MXene
PtCo bimetallic
hydrogen evolution reaction (HER)
Half-Full Filled Aerogels with a 348% Increment in Energy Absorption and a Retained High Electromagnetic Shielding Performance
期刊论文
ADVANCED FUNCTIONAL MATERIALS, 2024, 页码: 10
作者:
Kong, Ying
;
Lv, Zhengqiang
;
Li, Changwei
;
Men, Chuanling
;
Wu XQ(吴先前)
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2024/02/19
aerogel
electromagnetic shielding
energy absorption
half-full effect
shear thickening fluid
Prediction of chemical short-range order in high-/medium-entropy alloys
期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2024, 卷号: 169, 页码: 115-123
作者:
Cao, Pei-Yu
;
Wang, Jing
;
Jiang, Ping
;
Wang, Yun-Jiang
;
Yuan, Fu-Ping
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2023/10/10
Short-range order
High-entropy alloy
Microstructure
First-principles calculation
Gibbs free energy
Local electronic density of states
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
作者:
Gong, Huiyong
;
Yuan, Xiaoze
;
Qing, Ming
;
Liu, Jinjia
;
Han, Xiao
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2023/10/16
Transition metals
Electronic effects
Oxygen removal
Electronegativity
Bonding analysis
Structural and electronic properties of Ta
2
O
5
with one formula unit
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2023, 卷号: 230
作者:
Tong, Yangwu
;
Tang, Huimin
;
Yang, Yong
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  |  
浏览/下载:124/0
  |  
提交时间:2023/11/17
Ta2O5
Structure Search
Elementary Building Block
DFT Calculations
A Mo doping WO3/CdZnS heterojunction photoelectrode for boosting electron storage capacity
期刊论文
APPLIED SURFACE SCIENCE, 2023, 卷号: 634, 页码: 12
作者:
Tian, Jing
;
Qian, Feng
;
Cao, Meijing
;
Gong, Jiaqi
;
Li, Jiarun
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2023/12/07
Mo doping
Heterojunction photoelectrode
Electron storage capacity
Persistent photoelectrochemical cathodic
protection
Ruthenium Oxide Clusters Immobilized in Cationic Vacancies of 2D Titanium Oxide for Chlorine Evolution Reaction
期刊论文
SMALL STRUCTURES, 2023
作者:
Ji, Jiapeng
;
Liu, Junxian
;
Shi, Lei
;
Guo, Siqi
;
Cheng, Ningyan
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2023/11/17
cationic vacancies
chlorine evolution reaction
ruthenium oxide clusters
2D titanium oxide
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
作者:
Yin, Jun-Qing
;
Zhang, Yan-Ping
;
You, Yong
;
Wang, Zhen-Hua
;
Zhao, Jian-Qiang
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2023/11/28
iron
Si(111)-(7x7)
iron-silicon interface
CO adsorption
density functional theory
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