Density Functional Theory (DFT) and Kinetic Monte Carlo (KMC) Study of the Reaction Mechanism of Hydrogen Production from Methanol on ZnCu(111)-Reference-Cited by-同舟云学术

Density Functional Theory (DFT) and Kinetic Monte Carlo (KMC) Study of the Reaction Mechanism of Hydrogen Production from Methanol on ZnCu(111)

Published:2016-11-23 Issue:48 Volume:120 Page:27500-27508
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Zuo Zhi-Jun¹,Gao Xiao-Yu¹,Han Pei-De²,Liu Shi-Zhong³,Huang Wei¹

Affiliation:

1. Key Laboratory of Coal Science and Technology of Ministry of Education and Shanxi Province, Taiyuan University of Technology, Taiyuan 030024, Shanxi, China

2. College of Materials Science and Engineering, Taiyuan University of Technology, Taiyuan 030024, Shanxi, China

3. Department of Chemistry, Stony Brook University, Stony Brook, New York 11794, United States

Funder

the key project of the National Natural Science Foundation of China

the key project of Basic Industrial Research of ShanXi

The National Natural Science Foundation of China

Program for the Outstanding Innovative Teams of Higher Learning Institutions of Shanxi

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.6b10261

Reference75 articles.

1. Steam Reforming of Formaldehyde on Cu(100) Surface: A Density Functional Study

2. Methanol Steam Reforming for Hydrogen Production

3. Review of methanol reforming-Cu-based catalysts, surface reaction mechanisms, and reaction schemes

4. Insights into the reaction mechanisms of methanol decomposition, methanol oxidation and steam reforming of methanol on Cu(111): A density functional theory study

5. Ni/TiO2: A promising low-cost photocatalytic system for solar H2 production from ethanol–water mixtures

Cited by 28 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Comparative simulations of methanol steam reforming on PdZn alloy using kinetic Monte Carlo and mean-field microkinetic model;The Journal of Chemical Physics;2024-07-09

2. Renewable hydrogen production from biomass derivatives or water on trimetallic based catalysts;Renewable and Sustainable Energy Reviews;2024-01

3. Inhibitory effect of trace impurities on methanol reforming by Cu/ZnO/Al2O3 catalyst: Steam reforming and autothermal reforming of model bio-methanol;Applied Catalysis B: Environmental;2023-05

4. Understanding Trends in Electrochemical Methanol Oxidation Reaction Activity on a Single Transition-Metal Atom Embedded in N-Coordinated Graphene Catalysts;The Journal of Physical Chemistry Letters;2023-03-30

5. Hydrogen adsorption and diffusion through a two dimensional sheet of lithium: a first principles study;Physical Chemistry Chemical Physics;2023