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First-principles-based microkinetic modeling of methanol steam reforming over Cu(111) and Cu(211): structure sensitive activity and selectivity
期刊论文
DALTON TRANSACTIONS, 2024, 卷号: 53, 期号: 42, 页码: 17190-17199
作者:
Zhang, Xinyi
;
Yang, Bo
Adobe PDF(2058Kb)
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浏览/下载:246/6
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提交时间:2024/10/14
Dehydrogenation
Carbon emissions
Cu(1 1 1)
Density-functional theory calculations
Energy emissions
First principles
Hydrogen Energy
Methanol-steam reforming
Microkinetic modeling
Reaction mechanism
Structure-sensitive
Enhanced metal−promoter interaction over Na modified Co2C nanoprisms for high-efficiency hydrogen production from methanol steam reforming
期刊论文
CHEMICAL ENGINEERING JOURNAL, 2023, 卷号: 473
作者:
Shao, Zilong
;
Zhang, Shunan
;
Huang, Chaojie
;
Zhou, Haozhi
;
Chen, Junjun
Adobe PDF(13313Kb)
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浏览/下载:383/0
|
提交时间:2023/09/08
Carbides
Catalyst activity
Catalytic reforming
Dehydrogenation
Density functional theory
Fuel cells
Hydrogen storage
Methanol
Nanostructures
Sodium
Steam reforming
Transition metals
Co2C catalyst
Cu-based
Higher efficiency
Methanol-steam reforming
Na promoter
Na-modified
Nanoprisms
Reaction mechanism
Storage systems
]+ catalyst
Construction of Pt & delta;+-O(H)-Ti3+ Species for Efficient Catalytic Production of Hydrogen
期刊论文
ACS CATALYSIS, 2023, 卷号: 13, 期号: 15, 页码: 10500-10510
作者:
Wang, Hai
;
Hui, Yu
;
Niu, Yiming
;
He, Kai
;
Vovk, Evgeny I.
Adobe PDF(4956Kb)
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|
浏览/下载:334/0
|
提交时间:2023/08/21
hydrogen production
strong metal-support interaction
methanol steam reforming
water-gas shift reaction
interfaces
Structure sensitivity of ethanol steam reforming over the Rh catalyst: Reaction kinetics and deactivation mechanisms
期刊论文
APPLIED SURFACE SCIENCE, 2023, 卷号: 614
作者:
Wu, Huanyang
;
Yang, Bo
Adobe PDF(3315Kb)
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浏览/下载:529/0
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提交时间:2023/03/10
Association reactions
Carbon
Carbon dioxide
Catalyst activity
Catalyst deactivation
Catalyst selectivity
Complex networks
Density functional theory
Ethanol
Hydrogen production
Steam
Steam reforming
Deactivation mechanism
Density-functional theory calculations
Ethanol steam reforming
High activity
High selectivity
Kinetics mechanism
Rate-controlling
Rh catalysts
Rhodium catalysts
Structure sensitivity
Microkinetic modeling with machine learning predicted binding energies of reaction intermediates of ethanol steam reforming: The limitations
期刊论文
MOLECULAR CATALYSIS;, 2023, 卷号: 537
作者:
Xu, Wei
;
Yang, Bo
Adobe PDF(1925Kb)
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浏览/下载:368/0
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提交时间:2023/03/24
Binding energy
Error propagation
Ethanol steam reforming
Machine learning
Microkinetic modeling
Maximizing the synergistic effect between Pt0 and Ptδ+ in a confined Pt-based catalyst for durable hydrogen production
期刊论文
APPLIED CATALYSIS B: ENVIRONMENTAL, 2022, 卷号: 316
作者:
Shao, Zilong
;
Zhang, Shunan
;
Liu, Xiaofang
;
Luo, Hu
;
Huang, Chaojie
Adobe PDF(7875Kb)
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浏览/下载:445/0
|
提交时间:2022/07/15
Binary alloys
Catalysts
Hydrogen storage
Methanol
Platinum compounds
Sintering
Steam
Steam reforming
Zeolites
Hydrogen generations
K promoters
Metal@zeolite catalyst
Methanol-steam reforming
Pt-based catalyst
Safe storage
Situ hydrogens
Synergistic effect
Zeolite catalyst
]+ catalyst
Highly controlled structured catalysts for on-board methanol reforming
期刊论文
JOURNAL OF ENERGY CHEMISTRY, 2022, 卷号: 68, 页码: 19-26
作者:
Liang, Zhuangdian
;
Wang, Gang
;
Zeng, Gaofeng
;
Zhang, Jie
;
Tang, Zhiyong
Adobe PDF(2153Kb)
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浏览/下载:448/0
|
提交时间:2021/12/27
3D printing
In-situ heterogeneous crystallization
Magnetic Resonance Imaging
Methanol steam reforming
Structured catalyst
Ethanol steam reforming on Rh: Microkinetic analyses on the complex reaction network
期刊论文
CATALYSIS SCIENCE & TECHNOLOGY, 2021, 卷号: 11, 期号: 21, 页码: 7009-7017
作者:
Gu, Tangjie
;
Zhu, Wen
;
Yang, Bo
Adobe PDF(2556Kb)
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浏览/下载:353/2
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提交时间:2021/12/03
Complex networks
Density functional theory
Ethanol
Group theory
Hydrogen production
Molar ratio
Rhodium compounds
Steam reforming
Calculation models
Complex reactions
Condition
Density
functional theory calculations
Ethanol steam reforming
Larger networks
Microkinetic analysis
Network
based
Reaction network
Reaction pathways
CO2Hydrogenation to Methanol over PdZnZr Solid Solution: Effects of the PdZn Alloy and Oxygen Vacancy
期刊论文
ACS APPLIED ENERGY MATERIALS, 2021, 卷号: 4, 期号: 9, 页码: 9258-9266
作者:
Huang, Chaojie
;
Wu, Zhaoxuan
Adobe PDF(5610Kb)
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收藏
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浏览/下载:459/1
|
提交时间:2021/12/03
Aromatic hydrocarbons
Binary alloys
Carbon dioxide
Catalyst selectivity
Ethanol
Fossil fuels
Hydrogen production
Methanol
Methanol fuels
Oxygen vacancies
Palladium alloys
Steam reforming
Zinc alloys
Zirconia
CO2hydrogenation
Highest temperature
Hydrocarbon product
Methanol selectivity
PdZn alloys
Renewable hydrogens
Solid solution catalyst
Solution effects
Value
added chemicals
]+ catalyst
CO2 hydrogenation
methanol
solid solution catalyst
PdZn alloy
oxygen vacancy
Investigation of the role of Nb on Pd-Zr-Zn catalyst in methanol steam reforming for hydrogen
期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2019, 卷号: 44, 期号: 23, 页码: 11717-11733
作者:
Cai, Fufeng
;
Lu, Peijing
;
Ibrahim, Jessica Juweriah
;
Fu, Yu
;
Zhang, Jun
Adobe PDF(5136Kb)
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浏览/下载:583/2
|
提交时间:2019/06/12
Methanol steam reforming
Hydrogen production
Nb-modified Pd-Zr-Zn catalysts
Pd-Zn alloy
Oxygen vacancies
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