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科研机构
金属研究所 [411]
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期刊论文 [411]
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2022 [6]
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Influence of different temperatures on morphology and chemical state of the surface-active layer of scandium-tungsten cathode
期刊论文
INTERNATIONAL JOURNAL OF REFRACTORY METALS & HARD MATERIALS, 2022, 卷号: 108, 页码: 9
作者:
Cheng, Yin
;
Wang, ShiYang
;
Sun, Yuan
;
Yang, YanHong
;
Zhou, YiZhou
收藏
  |  
浏览/下载:39/0
  |  
提交时间:2022/09/16
Electronic materials
Active layer
Valence states
Work function
Scandium-tungsten (Sc-W) cathodes
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
作者:
Zhang, Kangyu
;
Yin, Lichang
;
Liu, Gang
;
Cheng, Hui-Ming
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2022/07/01
Structural descriptor
Bandgap narrowing
Doping
Machine learning
Density functional theory
TiO2
First-principles study of the structural, electronic, dynamical, and mechanical properties of Pd-Nb binary systems
期刊论文
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2022, 卷号: 78, 页码: 12
作者:
Liu, Mingfeng
;
Wang, Lei
;
Wang, Jiantao
;
Zhu, Heyu
;
Ma, Hui
收藏
  |  
浏览/下载:34/0
  |  
提交时间:2022/09/16
First-principles calculations
Variable-composition evolutionary structure search
Pd-Nb binary system
Intermetallics
Electronic structures
Elastic properties
Deciphering the phase transition-induced ultrahigh piezoresponse in (K,Na)NbO3-based piezoceramics
期刊论文
NATURE COMMUNICATIONS, 2022, 卷号: 13, 期号: 1, 页码: 10
作者:
Zhang, Mao-Hua
;
Shen, Chen
;
Zhao, Changhao
;
Dai, Mian
;
Yao, Fang-Zhou
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  |  
浏览/下载:33/0
  |  
提交时间:2022/07/14
Uncovering the crystal defects within aragonite CaCO3
期刊论文
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2022, 卷号: 119, 期号: 14, 页码: 9
作者:
San, Xingyuan
;
Gong, Mingyu
;
Wang, Jian
;
Ma, Xiuliang
;
dos Reis, Roberto
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2022/07/01
biological material
aragonite
crystal defects
organics
Monolayer MoSi (2) N4-x as promising electrocatalyst for hydrogen evolution reaction: A DFT prediction
期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2022, 卷号: 99, 页码: 215-222
作者:
Qian, Wangwang
;
Chen, Zhe
;
Zhang, Jinfeng
;
Yin, Lichang
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2022/07/01
Hydrogen evolution reaction
Electrocatalyst
2D material
MoSi 2 N 4
Surface nitrogen vacancy
Magnetic Doping Induced Superconductivity-to-Incommensurate Density Waves Transition in a 2D Ultrathin Cr-Doped Mo2C Crystal
期刊论文
ACS NANO, 2021, 卷号: 15, 期号: 9, 页码: 14938-14946
作者:
Li, Shaojian
;
Zhang, Zongyuan
;
Xu, Chuan
;
Liu, Zhen
;
Chen, Xiaorui
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  |  
浏览/下载:42/0
  |  
提交时间:2021/11/22
2D material
transition-metal carbide
magnetic doping
incommensurate density wave
superconductivity
Understanding charge storage in Nb2CTx MXene as an anode material for lithium ion batteries
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2021, 页码: 11
作者:
Cheng, Renfei
;
Hu, Tao
;
Wang, Zuohua
;
Yang, Jinxing
;
Dai, Ruqiao
收藏
  |  
浏览/下载:34/0
  |  
提交时间:2021/11/22
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
作者:
Cao, Shuo
;
Zhang, Shang-Zhou
;
Liu, Jian-Rong
;
Li, Shu-Jun
;
Sun, Tao
收藏
  |  
浏览/下载:119/0
  |  
提交时间:2021/10/15
Titanium alloys
Thermal strength
Thermal stability
Interaction energy
First principles calculations
Twinning pathways in Fe and Fe-Cr alloys from first-principles theory
期刊论文
ACTA MATERIALIA, 2021, 卷号: 215, 页码: 14
作者:
Wang, Ci
;
Schonecker, Stephan
;
Li, Wei
;
Yang, Yaochun
;
Hu, Qing-Miao
收藏
  |  
浏览/下载:69/0
  |  
提交时间:2021/10/15
Deformation twinning
Generalized stacking fault energy
Ferrite
Fe-Cr alloys
First-principles calculations
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