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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
Favorite  |  View/Download：3/0  |  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
Favorite  |  View/Download：56/0  |  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
Favorite  |  View/Download：92/0  |  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
Favorite  |  View/Download：44/0  |  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
Favorite  |  View/Download：163/0  |  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
Favorite  |  View/Download：92/0  |  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
Favorite  |  View/Download：84/0  |  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
Favorite  |  View/Download：194/0  |  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
Favorite  |  View/Download：130/0  |  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
Favorite  |  View/Download：97/0  |  Submit date：2021/02/02
Cu precipitate  Aging experiment  Mixing energy  Interatomic potential  Molecular dynamics