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Predictions of high-temperature superconducting ternary hydrides under high pressure using density functional calculations
期刊论文
PHYSICAL REVIEW B, 2025, 卷号: 111, 期号: 5
作者:
Zhu, Bangshuai
;
Shao, Dexi
;
Pei, Cuiying
;
Wang, Qi
;
Wu, Juefei
Adobe PDF(3323Kb)
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浏览/下载：53/1
|
提交时间：2025/03/14
Barium compounds - Bond strength (chemical) - Cadmium alloys - Cadmium compounds - Chlorine compounds - Germanium compounds - High pressure effects in solids - Hydrogen bonds - Indium phosphide - Technetium compounds
Chemical compositions - Density-functional calculations - Element substitution - High pressure - High temperature superconducting - High-temperature superconductor - Low pressures - Metal elements - Prototype structures - Ternary hydrides
Effect of physical and chemical pressure on the superconductivity of cage-Type compound Lu5Rh6Sn18
期刊论文
PHYSICAL REVIEW B, 2024, 卷号: 109, 期号: 7
作者:
Xiong, Chao
;
Pei, Cuiying
;
Wang, Qi
;
Wu, Juefei
;
Zhao, Yi
Adobe PDF(1959Kb)
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浏览/下载：510/4
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提交时间：2024/03/22
Crystal structure
High pressure effects
Rhodium alloys
Superconducting transition temperature
Tin alloys
X ray diffraction
Cage-type compounds
Chemical doping
Chemical pressures
Crystals structures
Effect of pressure
Electrical transport
High pressure
Metallicities
Synchrotron x-ray-diffraction
X-ray diffraction measurements
CO2 Activation on Ni(111) and Ni(110) Surfaces in the Presence of Hydrogen
期刊论文
THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2023, 卷号: 14, 期号: 19, 页码: 4381-4387
作者:
Zang, Yijing
;
Cai, Jun
;
Han, Yong
;
Wu, Huanyang
;
Zhu, Wen
Adobe PDF(3057Kb)
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浏览/下载：521/2
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提交时间：2023/05/07
Chemical activation
Hydrogen
Hydrogenation
Nanocatalysts
Nickel oxide
Surface reactions
X ray photoelectron spectroscopy
Activation pathway
Ambient pressures
Elevated temperature
Increasing temperatures
Metallic state
Ni-oxide
Reaction conditions
Reaction paths
Structure sensitivity
Turnover frequency
Origin of the Liquid/Gaseous Water Binding Energy Splitting Measured via X-ray Photoelectron Spectroscopy
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2023, 卷号: 14, 期号: 4, 页码: 863-869
作者:
Liu, Jian
;
Han, Yong
;
Liu, Chiyan
;
Yang, Bo
;
Liu, Zhi
Adobe PDF(3210Kb)
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浏览/下载：435/0
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提交时间：2023/03/10
Binding energy
Electrostatics
Molecules
Photoelectrons
Photons
Polarization
Ambient pressures
Chemical state
Computational modelling
Core-level shift
Electronic polarization
Electrostatic potentials
Energy splittings
Gas-phases
Molecular levels
Water binding
Dynamic chemical processes on ZnO surfaces tuned by physisorption under ambient conditions
期刊论文
JOURNAL OF ENERGY CHEMISTRY, 2022, 卷号: 72, 页码: 258-264
作者:
Ling, Yunjian
;
Luo, Jie
;
Ran, Yihua
;
Cao, Yunjun
;
Huang, Wugen
Adobe PDF(2046Kb)
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浏览/下载：671/1
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提交时间：2022/07/15
Carbon dioxide
Chemical activation
Chemisorption
High temperature applications
II-VI semiconductors
Molecules
Physisorption
Scanning tunneling microscopy
Surface reactions
X ray photoelectron spectroscopy
Zinc oxide
Ambient conditions
Ambient pressures
Ambient-pressure STM
Catalytic properties
Condition
Density-functional-theory
Dynamic chemical process
Non-reducible
Reducible oxides
ZnO surface
Prediction of structural and phase transitions of Th2CN from ambient pressure to 100 GPa: A first-principles study
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2022, 卷号: 210
作者:
Qiu, Qian
;
Liao, Zhiguang
;
Guo, Yongliang
;
Huai, Ping
;
Zhu, Zhiyuan
Adobe PDF(1889Kb)
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收藏
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浏览/下载：638/0
|
提交时间：2021/12/17
Bond strength (chemical)
Electronic structure
Forecasting
Nuclear fuels
Particle swarm optimization (PSO)
Phase diagrams
Thermodynamics
Ambient pressures
First principles
First-principle study
Geometrical structure
Particle swarm optimization method
Physical characteristics
Pressure ranges
Pressure-induced phase transition
Structure characteristic
Structure prediction
A Physical Entangling Strategy for Simultaneous Interior and Exterior Modification of Metal-Organic Framework with Polymers
期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2021, 卷号: 60, 期号: 13, 页码: 7389-7396
作者:
Dai, Dejun
;
Wang, Hongliang
;
Li, Conger
;
Qin, Xuedi
;
Li, Tao
Adobe PDF(2740Kb)
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浏览/下载：476/14
|
提交时间：2021/04/01
gas adsorption
metal–
organic frameworks
mixed matrix membranes
separation
surface modification
Grafting (chemical)
Metal
Organic Frameworks
Organometallics
Polyimides
Aliphatic amines
Common features
Dispersibilities
Functionalized
Low pressures
Methacrylate polymers
Nano channels
Polyimide matrix
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