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Chiral Nanostructured Ag Films for Multicarbon Products from CO
2
Electroreduction
期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2024, 卷号: 146, 期号: 41, 页码: 28214-28221
作者:
Zhang, Wanning
;
Ai, Jing
;
Ouyang, Tianwei
;
Yu, Lu
;
Liu, Aokun
Adobe PDF(6622Kb)
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浏览/下载:355/6
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提交时间:2024/10/14
Carbon films
Chirality
Electrolysis
Electrolytes
Electrolytic reduction
Electron spin resonance spectroscopy
Hydrogenation
Nanoclay
Reaction intermediates
Ag films
Barrier energy
Carbon-carbon coupling
Cu-based catalyst
Electro reduction
Electron spins
Metal catalyst
Nanostructured Ag
Reaction barriers
Spin-polarization
Activating lattice oxygen based on energy band engineering in oxides for industrial water/saline oxidation
期刊论文
ENERGY AND ENVIRONMENTAL SCIENCE, 2024, 卷号: 17, 期号: 10
作者:
Zhang, Yijie
;
Zhang, Weiyi
;
Zhang, Xiaowen
;
Wang, Xin
;
Wang, Jiajun
Adobe PDF(2512Kb)
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浏览/下载:241/0
|
提交时间:2024/04/12
Band structure
Binary alloys
Chemical activation
Electrocatalysts
Energy barriers
Ion exchange membranes
Oxidation
Oxygen vacancies
Band levels
Energy
Energy band engineering
Evolution mechanism
Ex situ
In-situ spectroscopy
Industrial water
Lattice oxygen
Oxidation mechanisms
Theoretical calculations
Strain-tuned full spin polarization and ndoping of phosphorene via the phosphorene/Co3Sn3S2 heterojunction
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2024, 卷号: 233
作者:
Adobe PDF(2394Kb)
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浏览/下载:373/0
|
提交时间:2023/12/22
Energy gap
Heterojunctions
Schottky barrier diodes
Semiconductor doping
Spin polarization
Tin compounds
Van der Waals forces
Electronic.structure
First principle method
Half metals
High carrier mobility
N-Doping
Phosphorene
Schottky barriers
Spin channels
Spin-orbit couplings
Spin-polarization
Metal-Free 1,3-Boronate Rearrangement to Ketones Driven by Visible Light
期刊论文
ANGEWANDTE CHEMIE - INTERNATIONAL EDITION, 2024, 卷号: 63, 期号: 4
作者:
Hao, Kejia
;
Li, Defang
;
Fu, Dongmin
;
Zou, Peng
;
Xie, Shasha
Adobe PDF(4832Kb)
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收藏
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浏览/下载:411/0
|
提交时间:2024/02/02
Energy barriers
Excited states
Free radicals
Ground state
Ketones
Boronates
Electrophilic site
High-energy barriers
Higher-energy barriers
Metal free
Metal-free reactions
Reaction mechanism
Rearrangement
Valuable metals
Visible light
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:328/1
|
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
Beyond Duality: Rationalizing Repulsive Coulomb Barriers in Host-Guest Cyclodextrin-Dodecaborate Complexes
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2023, 卷号: 14, 期号: 30, 页码: 6736-6742
作者:
Jiang, Yanrong
;
Hu, Zhubin
;
Yang, Yan
;
Peng, Peng
Adobe PDF(2773Kb)
|
收藏
|
浏览/下载:309/0
|
提交时间:2023/08/18
Negative ions
Photoelectron spectroscopy
Potential energy
Charge-separation
Coulomb repulsions
Dynamics stability
Electron charge
Electron detachments
Host:guest
Intrinsic potential
Multiply charged anions
Potential energy barrier
Repulsive coulomb barriers
Tunable activity of electrocatalytic CO dimerization on strained Cu surfaces: Insights from ab initio molecular dynamics simulations
期刊论文
CHINESE JOURNAL OF CATALYSIS, 2022, 卷号: 43, 期号: 11, 页码: 2898-2905
作者:
Liu, Hong
;
Liu, Jian
;
Yang, Bo
Adobe PDF(7141Kb)
|
收藏
|
浏览/下载:398/0
|
提交时间:2022/11/11
Atoms
Catalyst activity
Copper
Dimerization
Electrocatalysis
Energy barriers
Free energy
Molecular dynamics
Surface reconstruction
Ab initio molecular dynamics
Compressive strain
Cu
Cu atoms
Dimerizations
Electrocatalytic
Electrocatalytic CO dimerization
Free energy barrier
Surface strains
Surfaces reconstruction
Radical umpolung chemistry enabled by dual catalysis: concept and recent advances
期刊论文
CATALYSIS SCIENCE AND TECHNOLOGY, 2022
作者:
Chen, Jun-Jie
;
Zhang, Ying
;
Huang, Huan-Ming
Adobe PDF(4679Kb)
|
收藏
|
浏览/下载:219/3
|
提交时间:2022/08/12
Positive ions
Discovery science
Drug discovery
Drug materials
Dual catalysis
Higher-energy barriers
Material science
Organic Chemistry
Radical chemistry
Synthetic chemistry
Umpolung
Theoretical insight into adsorption and dissociation of water on NiCr binary alloy surfaces: Early-stage oxidation mechanism
期刊论文
JOURNAL OF APPLIED PHYSICS, 2021, 卷号: 130, 期号: 11
作者:
Yin, Ya-Ru
;
Ren, Cui-Lan
;
Liang, Zhao-Feng
;
Dai, Jian-Xing
;
Huang, He-Fei
Adobe PDF(6720Kb)
|
收藏
|
浏览/下载:760/1
|
提交时间:2021/12/03
Adsorption
Binary alloys
Dissociation
Nickel alloys
Oxygen
Dissociation pathways
Early stage oxidations
Enhancement effects
First principles method
Higher
energy barriers
Nickel based alloy
Nickel substrates
Surface reactivity
A review on GaN-based two-terminal devices grown on Si substrates
期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2021, 卷号: 869, 期号: 15, 页码: 159214
作者:
Zhang, Yu
;
Liu, Chao
;
Zhu, Min
;
Zhang, Yuliang
;
Zou, Xinbo
Adobe PDF(36302Kb)
|
收藏
|
浏览/下载:327/0
|
提交时间:2021/12/03
Energy gap
III
V semiconductors
Light emitting diodes
Schottky barrier diodes
Silicon
Substrates
Barrier diodes
Design technologies
Device design
Lightemitting diode
Optoelectronic applications
PiN diode
Power conversion
Schottky barriers
Si substrates
Two
terminal devices
GaN
Two-terminal devices
SBDs
p-i-n diodes
LEDs
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