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Developing General Reactive Element-Based Machine Learning Potentials as the Main Computational Engine for Heterogeneous Catalysis
预印本
2024
作者:
Yang, Changxi
;
Wu, Chenyu
;
Xie, Wenbo
;
Xie, Daiqian
;
Hu, Peijun
Adobe PDF(3074Kb)
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收藏
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浏览/下载:266/58
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提交时间:2024/11/11
Machine learning potential
heterogeneous catalysis
reactions
A Polymeric Phosphorus Ligand for the Synthesis of Herbicide Rinskor
期刊论文
ACTA CHIMICA SINICA, 2024, 卷号: 82, 期号: 9, 页码: 940-953
作者:
Dong, Wenfeng
;
Wang, Nan
;
Yang, He
;
Xu, Guangqing
;
Tang, Wenjun
Adobe PDF(1277Kb)
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收藏
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浏览/下载:166/2
|
提交时间:2024/11/04
polymeric phosphorus ligand
Suzuki-Miyaura coupling
homogeneous catalysis
heterogeneous recycling
Coupling Between Local and Global Oscillations in Palladium-Catalysed Methane Oxidation
预印本
2024
作者:
Hu, Yuxiong
;
Hu, Jianyu
;
Sun, Mengzhao
;
Li, Aowen
;
Shi, Shucheng
Adobe PDF(2089Kb)
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收藏
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浏览/下载:286/2
|
提交时间:2024/08/26
Multi-scale operando characterization
dissipative processes
self-sustained oscillations
heterogeneous catalysis
thermal coupling
Cobalt Phosphide-Supported Single-Atom Pt Catalysts for Efficient and Stable Hydrogen Generation from Ammonia Borane Hydrolysis
期刊论文
SMALL METHODS, 2024
作者:
Wang, Shiqi
;
Li, Songqi
;
Yu, Yicheng
;
Zhang, Tianjun
;
Qu, Jiafu
Adobe PDF(3886Kb)
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|
浏览/下载:204/2
|
提交时间:2024/06/11
ammonia borane
cobalt phosphide
heterogeneous catalysis
hydrogen generation
single-atom catalysts
Adjacent Axial Ligand Enables Secondary Coordination Effects in Metal-Nitrogen-Carbon Towards Improved Scaling Relation of Oxygen Electrocatalysis
预印本
2024
作者:
Ye, Ke
;
Han, Yulan
;
Hu, Min
;
Hu, P
;
Ahlquist, Marten S. G.
Adobe PDF(1640Kb)
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浏览/下载:271/59
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提交时间:2024/05/15
heterogeneous catalysis
scaling relation
secondary coordination effects
DFT calculation
Application of Covalent Organic Framework-Polyoxometalates Composites in Heterogeneous Catalytic Epoxidation of Olefins
期刊论文
CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE, 2023, 卷号: 44, 期号: 12
作者:
Kong, Xiangyu
;
Liao, Li
;
Lu, Canzhong
;
Fang, Qianrong
Adobe PDF(3378Kb)
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浏览/下载:251/0
|
提交时间:2024/03/03
Covalent organic framework
Polyoxometalate
Heterogeneous catalysis
Loading material
Epoxidation of alkene
Catalyst activity
Naphthalene
Oxides
Pore size
Porous materials
Recycling
Adsorption performance
Catalytic epoxidation
Covalent organic frameworks
Electron-deficient
Epoxidation of alkenes
Large pore size
Naphthalene diimide
Polyoxometalates
Synthesised
Heterogeneous Iridium Single-Atom Molecular-like Catalysis for Epoxidation of Ethylene
期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2023, 卷号: 145, 期号: 12, 页码: 6658-6670
作者:
Yang, Hongling
;
Wang, Xiaoxu
;
Liu, Qinggang
;
Huang, Aijian
;
Zhang, Xun
Adobe PDF(11756Kb)
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浏览/下载:469/0
|
提交时间:2023/04/14
Atoms
Catalysis
Catalyst selectivity
Electronic structure
Iridium
Molecular oxygen
Molecules
Coordination environment
Ethylene oxides
Heterogeneous catalyst
Homogeneous catalyst
Molecular catalysts
Scientific issues
Selective epoxidation
Simple++
Single-atoms
]+ catalyst
Li-promoted C3N4 catalyst for efficient isomerization of glucose into fructose at 50 °C in water
期刊论文
GREEN ENERGY AND ENVIRONMENT, 2023, 卷号: 9, 期号: 9, 页码: 1419-1426
作者:
Liu, Wang
;
Zhang, Yanfei
;
Sun, Mengya
;
Zhao, Xinpeng
;
Li, Shenggang
Adobe PDF(1829Kb)
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收藏
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浏览/下载:296/0
|
提交时间:2023/06/02
Catalysis
Catalyst activity
Catalyst selectivity
Density functional theory
Electronic structure
Fructose
Isomerization
Isomers
Condition
Density-functional theory calculations
Enzymatic catalysis
Heterogeneous catalyst
High selectivity
Higher yield
Isomerisation
Lewis Acid
Li–C3N4
]+ catalyst
Direct conversion of CO2 to a jet fuel over CoFe alloy catalysts
期刊论文
INNOVATION, 2021, 卷号: 2, 期号: 4
作者:
Zhang, Lei
;
Dang, Yaru
;
Zhou, Xiaohong
;
Gao, Peng
;
van Bavel, Alexander Petrus
Adobe PDF(3664Kb)
|
收藏
|
浏览/下载:396/0
|
提交时间:2022/11/08
carbon dioxide hydrogenation
C-C coupling
heterogeneous catalysis
jet fuel
CoFe alloys
Effectively Regulating the Microenvironment of Atomically Dispersed Rh through Co and Pi to Promote the Selectivity in Olefin Hydroformylation
期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2021, 卷号: 13, 期号: 13, 页码: 15113-15121
作者:
Wei, Baiyin
;
Liu, Xiaofang
;
Hua, Kaimin
;
Deng, Yuchao
;
Wang, Hui
Adobe PDF(4307Kb)
|
收藏
|
浏览/下载:464/0
|
提交时间:2021/06/04
atomically dispersed catalysts
microenvironment
hydroformylation
heterogeneous catalysis
rhodium
electronic effect
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