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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:11/0
  |  
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
Stable and 7.7 wt% hydrogen storage capacity of Ti decorated Irida-Graphene from first-principles calculations
期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2024, 卷号: 50, 页码: 738-748
作者:
Tan, Yongkang
;
Tao, Xiaoma
;
Ouyang, Yifang
;
Peng Q(彭庆)
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  |  
浏览/下载:2/0
  |  
提交时间:2024/02/05
Irida-graphene
Hydrogen storage
Titanium decoration
First-principles calculation
Thermoelectric Properties of Mg
3
(Bi,Sb)
2
under Finite Temperatures and Pressures: A First-Principles Study
期刊论文
NANOMATERIALS, 2024, 卷号: 14, 期号: 1, 页码: 17
作者:
Peng Q(彭庆)
;
Ma, Xinjie
;
Yang, Xiaoyu
;
Yuan XZ(袁晓泽)
;
Chen, XiaoJia
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  |  
浏览/下载:0/0
  |  
提交时间:2024/02/19
thermoelectric materials
PBE-D3
vdW-DFq
first-principles calculation
Mg3Bi2-vSbv
MatCloud
High-temperature inter-mineral potassium isotope fractionation in ultrapotassic and granitic rocks: Implications for the potassium isotopic compositions of arc magmas
期刊论文
CHEMICAL GEOLOGY, 2023, 卷号: 641, 页码: 15
作者:
Yang, Tinggen
;
Liu, Haiyang
;
Li, Yonghui
;
Xue, Ying-Yu
;
Li, Xiaoqiang
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2024/04/07
Potassium isotopes
Inter-mineral potassium isotope fractionation
First-principles calculation
Amphibole
Arc magma
Assessing Effects of van der Waals Corrections on Elasticity of Mg
3
Bi
2-x
Sb
x
in DFT Calculations
期刊论文
MATERIALS, 2023, 卷号: 16, 期号: 19, 页码: 15
作者:
Peng, Qing
;
Ma, Xinjie
;
Yang, Xiaoyu
;
Zhao, Shuai
;
Yuan, Xiaoze
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  |  
浏览/下载:7/0
  |  
提交时间:2023/11/13
thermoelectric materials
PBE-D3
vdW-DFq
first-principles calculation
Mg3Bi2-xSbx
One-Step Growth of Bilayer 2H-1T?MoTe2 van der Waals Heterostructures with Interlayer-Coupled Resonant Phonon Vibration
期刊论文
ACS NANO, 2022, 卷号: 16, 期号: 7, 页码: 11268-11277
作者:
Guo, Zenglong
;
Wang, Lei
;
Han, Mengjiao
;
Zhao, Erding
;
Zhu, Liang
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  |  
浏览/下载:15/0
  |  
提交时间:2022/09/16
MoTe2
salt-assisted CVD growth
van der Waals heterostructure
polarized Raman spectroscopy
first-principles calculation
One-Step Growth of Bilayer 2H-1T' MoTe2 van der Waals Heterostructures with Interlayer-Coupled Resonant Phonon Vibration
期刊论文
ACS NANO, 2022, 页码: 10
作者:
Guo, Zenglong
;
Wang, Lei
;
Han, Mengjiao
;
Zhao, Erding
;
Zhu, Liang
收藏
  |  
浏览/下载:33/0
  |  
提交时间:2022/09/16
MoTe2
salt-assisted CV D growth
van der Waals heterostructure
polarized Raman spectroscopy
first-principles calculation
Controlling the nucleation of multiple precipitates in precipitation-strengthened steel through Mo partitioning
期刊论文
MATERIALS SCIENCE AND TECHNOLOGY, 2022, 页码: 6
作者:
Qiu, Nianshuang
;
Shen, Zhuang
;
Zuo, Xiaowei
;
Zhou, Gang
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2022/07/01
Nanoparticles
Mo addition
Precipitation-strengthened steel
Atom probe tomography
First-principles calculation
New selection rule of resonant Raman scattering in MoS2 monolayer under circular polarization
期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2022, 卷号: 102, 页码: 132-136
作者:
Huang, Jianqi
;
Liu, Zhiyong
;
Yang, Teng
;
Zhang, Zhidong
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  |  
浏览/下载:17/0
  |  
提交时间:2022/07/01
First principles calculation
Resonant Raman
Helicity selection rule
MoS2 monolayer
Structural, electronic and magnetic properties of TlFeSe2 under high pressure
期刊论文
JOURNAL OF PHYSICS-CONDENSED MATTER, 2021, 卷号: 33
作者:
Zhang, Hanxing
;
Zhao, Jing
;
Niu, Caoping
;
Zou, Liangjian
;
Zeng, Zhi
收藏
  |  
浏览/下载:88/0
  |  
提交时间:2021/08/30
ternary metal selenide
first-principles calculation
high-pressure phases
spin crossover
negative charge transfer
metal-insulator transition
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