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Unveiling Cu Nanoparticles Formed During Li Deposition in Anode-Free Batteries
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2024, 卷号: 15, 期号: 39, 页码: 9954-9959
作者:
Zhai, Wenbo
;
Fu, Minghui
;
Wu, Xiaoyan
;
Wang, Hung-Ta
;
Liu, Wei
Adobe PDF(5914Kb)
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浏览/下载：316/1
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提交时间：2024/10/08
Copper
Copper compounds
High resolution transmission electron microscopy
Lithium batteries
Battery performance
Cu impurity
Cu nano-particles
Formation mechanism
Higher energy density
In-depth study
Li deposition
Li metal
Metallics
Structural characteristics
Computational Screening of Single-Atom Doped In2O3 Catalysts for the Reverse Water Gas Shift Reaction
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2023, 卷号: 26, 期号: 1, 页码: 381-389
作者:
Yuchen Wang
;
Shenggang Li
Adobe PDF(2176Kb)
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浏览/下载：317/1
|
提交时间：2023/12/01
Adsorption
Atoms
Catalyst activity
Chemical shift
Computation theory
Density functional theory
Dissociation
Energy barriers
Indium compounds
Iridium compounds
Nickel oxide
Oxygen vacancies
Water gas shift
Cubic phase
Density-functional theory calculations
Metal sites
Metal-doped
Oxygen vacancy formation energies
Reverse water-gas shift reaction
Single-atoms
Site screening
Valuable chemicals
]+ catalyst
Strain effect on the defect formation and diffusion in Ti2AlC and Ti3AlC2: A first-principles study
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2023, 卷号: 218
作者:
Wang, Changying
;
Ren, Cuilan
;
Guo, Yongliang
;
Wan, Zhilong
;
Qin, Sai
Adobe PDF(1890Kb)
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浏览/下载：307/0
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提交时间：2023/02/24
MAX phase materials
Defects
Formation energy
Diffusion
Strain effect
Construction of High-Density Binuclear Site Catalysts from Double Framework Interfaces at the Cooling Stage
期刊论文
ANGEWANDTE CHEMIE - INTERNATIONAL EDITION, 2023, 卷号: 62, 期号: 47
作者:
Yang, Shuai
;
Wei, Yao
;
Li, Xuewen
;
Mao, Jianing
;
Mei, Bingbao
Adobe PDF(3735Kb)
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浏览/下载：77/0
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提交时间：2023/11/10
Atoms
Catalyst activity
Catalyst selectivity
Electrolytic reduction
Oxygen
Synchrotron radiation
X ray absorption spectroscopy
Binuclear site
Cooling stage
Energy
Formation mechanism
Nuclear sites
Oxygen reduction reaction
Single atom catalyse
Single-atoms
X-ray absorption spectrum
]+ catalyst
Strain Relaxation in Metal Alloy Catalysts Steers the Product Selectivity of Electrocatalytic CO2 Reduction
期刊论文
ACS NANO, 2022, 卷号: 16, 期号: 2, 页码: 3251-3263
作者:
Hao, Jican
;
Zhuang, Zechao
;
Hao, Jiace
;
Cao, Kecheng
;
Hu, Yuxiong
Adobe PDF(13125Kb)
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浏览/下载：278/1
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提交时间：2022/03/18
Activation energy
Binary alloys
Binding energy
Catalyst activity
Catalyst selectivity
Density functional theory
Design for testability
Electrolytic reduction
Manganese alloys
Molecular dynamics
Reaction intermediates
Reaction kinetics
Tensile strain
Zinc alloys
CO 2 reduction
CO2 electroreduction reaction
Electro reduction
Electrospinning
Formation energies
Lattice strain
Nanofiber reactor
PdNi alloys
Product selectivities
Reduction reaction
Doping rh into tio2as a visible-light-responsive photocatalyst: The difference between rutile and anatase
期刊论文
APPLIED PHYSICS LETTERS, 2021, 卷号: 119, 期号: 21
作者:
Wang, Jiaming
;
Liu, Kaiwei
;
Zhang, Boyang
;
Qiu, Yaru
;
Xiang, Yao
Adobe PDF(3940Kb)
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浏览/下载：543/1
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提交时间：2021/12/17
Ascorbic acid
Crystal structure
Density functional theory
Doping (additives)
Light
Light absorption
Oxide minerals
Photocatalytic activity
Solar energy
Absorption edges
Calcinations process
Crystals structures
Density functional theory simulations
Formation energies
Rutile and anatase
Rutile samples
TiO 2
Visible-light irradiation
Visible-light responsive photocatalysts
Understanding the structure-performance relationship of cubic In2O3catalysts for CO2hydrogenation
期刊论文
JOURNAL OF CO2 UTILIZATION, 2021, 卷号: 49
作者:
Qin, Bin
;
Zhou, Zhimin
Adobe PDF(1983Kb)
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浏览/下载：265/1
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提交时间：2021/12/03
Activation energy
Carboxylation
Catalyst activity
Catalyst selectivity
Coordination reactions
Data Science
Decision trees
Density functional theory
Hydrogenation
Indium compounds
Methanol
Oxygen vacancies
Reaction intermediates
Activation barriers
CO formation
Data science analyse
Density
functional
theory
Indium oxide catalyst
Methanol synthesis
Rate determining step
Structure performance
Vacancy sites
]+ catalyst
Carbon dioxide
Indium oxide catalysts
Data science analysis
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