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Accelerating CO2 reduction on novel double perovskite oxide with sulfur, carbon incorporation: Synergistic electronic and chemical engineering
期刊论文
CHEMICAL ENGINEERING JOURNAL, 2022, 卷号: 446, 页码: 11
Authors:
Raziq, Fazal
;
Khan, Khakemin
;
Ali, Sajjad
;
Ali, Sharafat
;
Xu, Hu
;
Ali, Ijaz
;
Zada, Amir
;
Ismail, Pir Muhammad
;
Ali, Asad
;
Khan, Habib
;
Wu, Xiaoqiang
;
Kong, Qingquan
;
Zahoor, Muhammad
;
Xiao, Haiyan
;
Zu, Xiaotao
;
Li, Sean
;
Qiao, Liang
Favorite
  |  
View/Download:48/0
  |  
Submit date:2022/07/14
CO 2 conversion
Chemical engineering
Electronic engineering
Novel double perovskite
Density functional theory
Accurate structural descriptor enabled screening for nitrogen and oxygen vacancy codoped TiO2 with a large bandgap narrowing
期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2022, 卷号: 122, 页码: 84-90
Authors:
Zhang, Kangyu
;
Yin, Lichang
;
Liu, Gang
;
Cheng, Hui-Ming
Favorite
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View/Download:44/0
  |  
Submit date:2022/07/01
Structural descriptor
Bandgap narrowing
Doping
Machine learning
Density functional theory
TiO2
Effect of hydrostatic pressure on the thermodynamic and kinetic behavior of metal electrode reactions
期刊论文
ELECTROCHIMICA ACTA, 2022, 卷号: 424, 页码: 10
Authors:
Ma, Rongyao
;
Shen, Yufeng
;
Wang, Changgang
;
Dong, Junhua
;
Ke, Wei
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View/Download:68/0
  |  
Submit date:2022/07/14
Hydrostatic pressure
Equilibrium electrode potential
Exchange current density
Thermodynamic
Kinetic
Prediction of Dynamically Recrystallized Microstructure of AZ31 Magnesium Alloys in Hot Rolling Using an Expanded Dislocation Density Model
期刊论文
JOURNAL OF MATERIALS ENGINEERING AND PERFORMANCE, 2022, 页码: 9
Authors:
Wang, Jianqiang
;
Guo, Lili
;
Wang, Changfeng
;
Zhao, Ying
;
Qi, Wei
;
Yun, Xinbing
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  |  
View/Download:35/0
  |  
Submit date:2022/09/16
dislocation density
dynamic recrystallization
magnesium alloys
microstructure simulation
hot rolling
Electron emission mechanism of scandium-tungsten cathodes
期刊论文
INTERNATIONAL JOURNAL OF REFRACTORY METALS & HARD MATERIALS, 2022, 卷号: 105, 页码: 5
Authors:
Cheng, Yin
;
Sun, Yuan
;
Zhou, Yizhou
;
Wang, Shiyang
;
Meng, Jie
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  |  
View/Download:33/0
  |  
Submit date:2022/07/14
Thermoelectric materials
Crystal structure
Electronic structure
Density functional theory
First-principle calculations
Tuning precise numbers of supported nickel clusters on graphdiyne for efficient CO2 electroreduction toward various multi-carbon products
期刊论文
JOURNAL OF ENERGY CHEMISTRY, 2022, 卷号: 69, 页码: 456-465
Authors:
Yang, Meiqi
;
Wang, Zhongxu
;
Jiao, Dongxu
;
Tian, Yu
;
Shang, Yongchen
;
Yin, Lichang
;
Cai, Qinghai
;
Zhao, Jingxiang
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View/Download:28/0
  |  
Submit date:2022/09/16
CO2 reduction
Supported metal clusters
Graphdiyne
Multi-carbon products
Density functional theory
Atomic-Scale Design of Anode Materials for Alkali Metal (Li/Na/K)-Ion Batteries: Progress and Perspectives
期刊论文
ADVANCED ENERGY MATERIALS, 2022, 页码: 29
Authors:
Olsson, Emilia
;
Yu, Jiale
;
Zhang, Haiyan
;
Cheng, Hui-Ming
;
Cai, Qiong
Favorite
  |  
View/Download:37/0
  |  
Submit date:2022/07/14
anodes
density functional theory
lithium-ion batteries
materials design
molecular dynamics
potassium-ion batteries
sodium-ion batteries
Efficient electrochemical reduction of CO to C-2 products on the transition metal and boron co-doped black phosphorene
期刊论文
CHINESE CHEMICAL LETTERS, 2022, 卷号: 33, 期号: 4, 页码: 2183-2187
Authors:
Kong, Lingyi
;
Chen, Zhe
;
Cai, Qinghai
;
Yin, Lichang
;
Zhao, Jingxiang
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View/Download:36/0
  |  
Submit date:2022/07/14
CO reduction
Electrocatalysis
Multi-carbon products
Density functional theory
2D black phosphorene
Achieving efficient N-2 electrochemical reduction by stabilizing the N2H* intermediate with the frustrated Lewis pairs
期刊论文
JOURNAL OF ENERGY CHEMISTRY, 2022, 卷号: 66, 页码: 628-634
Authors:
Chen, Zhe
;
Zhao, Jingxiang
;
Jiao, Yan
;
Wang, Tao
;
Yin, Lichang
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View/Download:32/0
  |  
Submit date:2022/07/01
Nitrogen reduction
Electrocatalysis
Intermediate stabilization strategy
Density functional theory
Effects of Texture Density on the Tribological Properties of Plasma Electrolytic Oxidation/Polytetrafluoroethylene Coatings Formed on Aluminum Alloys
期刊论文
MACROMOLECULAR MATERIALS AND ENGINEERING, 2021, 页码: 10
Authors:
Lu, Cheng
;
Ding, Jinhua
;
Shi, Peiying
;
Jia, Junhong
;
Xie, Erqing
;
Sun, Yuan
Favorite
  |  
View/Download:49/0
  |  
Submit date:2022/01/27
plasma electrolytic oxidation
polytetrafluoroethylene
texture density
tribological properties