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Revealing the Tunable Effects of Single Metal Atoms Supported on Nitrogen-Doped Carbon Nanotubes during NO Oxidation from Microkinetic Simulation
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2022, 页码: 7
Authors:
Si, Chaowei
;
Yang, Min
;
Li, Bo
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View/Download:5/0
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Submit date:2023/05/09
Theoretical design of BAs/WX2 (X = S, Se) heterostructures for high-performance photovoltaic applications from DFT calculations
期刊论文
APPLIED SURFACE SCIENCE, 2022, 卷号: 599, 页码: 11
Authors:
Guan, Yue
;
Li, Xiaodan
;
Hu, Qingmiao
;
Zhao, Dandan
;
Zhang, Lin
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View/Download:59/0
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Submit date:2022/09/16
First principle calculations
2D materials
Heterojunction
Electronic structure
Electric field
Photovoltaic applications
Dynamic control and increase of working temperature range in Ni-Mn-In-Co MCE materials by hydrostatic pressure or biaxial stress
期刊论文
MATERIALS TODAY COMMUNICATIONS, 2022, 卷号: 32, 页码: 8
Authors:
Ma, Tianyou
;
Zhang, Kun
;
Han, Binglun
;
Zhao, Lei
;
Zhao, Wenbin
;
Wang, Cheng
;
Tian, Xiaohua
;
Tan, Changlong
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View/Download:96/0
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Submit date:2022/09/16
Martensitic transformation
Magnetic shape memory alloy
First Principle Calculations
Ni-Mn-In-Co
alloys
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:48/0
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Submit date:2022/07/14
Thermoelectric materials
Crystal structure
Electronic structure
Density functional theory
First-principle calculations
Interaction between Al and other alloying atoms in alpha-Ti for designing high temperature titanium alloy
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 197, 页码: 11
Authors:
Cao, Shuo
;
Zhang, Shang-Zhou
;
Liu, Jian-Rong
;
Li, Shu-Jun
;
Sun, Tao
;
Li, Jian-Ping
;
Gao, Yang
;
Yang, Rui
;
Hu, Qing-Miao
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View/Download:166/0
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Submit date:2021/10/15
Titanium alloys
Thermal strength
Thermal stability
Interaction energy
First principles calculations
Site-directed reduction engineering within bimetal-organic frameworks for efficient size-selective catalysis
期刊论文
MATTER, 2021, 卷号: 4, 期号: 9, 页码: 2919-2935
Authors:
Bai, Xiao-Jue
;
Zhai, Xu
;
Zhang, Li-Ying
;
Fu, Yu
;
Qi, Wei
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View/Download:97/0
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Submit date:2021/11/22
Inspired by "quenching-cracking" strategy: Structure-based design of sulfur-doped graphite felts for ultrahigh-rate vanadium redox flow batteries
期刊论文
ENERGY STORAGE MATERIALS, 2021, 卷号: 39, 页码: 166-175
Authors:
Xu, Zeyu
;
Zhu, Mingdong
;
Zhang, Kaiyue
;
Zhang, Xihao
;
Xu, Lixin
;
Liu, Jianguo
;
Liu, Tao
;
Yan, Chuanwei
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View/Download:86/0
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Submit date:2021/10/15
Vanadium redox flow battery
Structural modulation
Flow channels
Hierarchical fibers
Charge-discharge performance
Theoretical and experimental investigations on mechanical properties of (Fe,Ni)Sn2 intermetallic compounds formed in SnAgCu/Fe-Ni solder joints
期刊论文
MATERIALS CHARACTERIZATION, 2021, 卷号: 178, 页码: 8
Authors:
Gao, Li-Yin
;
Luo, Yi-Xiu
;
Wan, Peng
;
Liu, Zhi-Quan
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View/Download:196/0
  |  
Submit date:2021/10/15
Solder joint
Intermetallic compound
Mechanical property
Nano-indentation
First principle calculation
Oxygen-induced electrode activation and modulation essence towards enhanced anode redox chemistry for vanadium flow batteries
期刊论文
ENERGY STORAGE MATERIALS, 2021, 卷号: 34, 页码: 301-310
Authors:
Zhang, Kaiyue
;
Yan, Chuanwei
;
Tang, Ao
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View/Download:134/0
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Submit date:2021/03/15
Vanadium flow battery
Anode kinetics
Oxygen functional group
Carbon felt
p-band center
Effects of Al on the precipitation of B2 Cu-rich particles in Fe-Cu ferritic alloy: Experimental and theoretical study
期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2020, 卷号: 846, 页码: 12
Authors:
Wang, Haiyan
;
Gao, Xueyun
;
Chen, Shuming
;
Li, Yiming
;
Wu, Zhongwang
;
Ren, Huiping
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View/Download:101/0
  |  
Submit date:2021/02/02
Cu precipitate
Aging experiment
Mixing energy
Interatomic potential
Molecular dynamics