Kinetic Monte Carlo simulations of the water gas shift reaction on Cu(1 1 1) from density functional theory based calculations-Reference-Cited by-同舟云学术

Kinetic Monte Carlo simulations of the water gas shift reaction on Cu(1 1 1) from density functional theory based calculations

Published:2016-01 Issue: Volume:333 Page:217-226
ISSN:0021-9517
Container-title:Journal of Catalysis
language:en
Short-container-title:Journal of Catalysis

Author:

Prats Hèctor,Álvarez Leny,Illas Francesc,Sayós Ramón^ORCID

Funder

Spanish MINECO

Generalitat de Catalunya

Secretaría de Ciencia y Tecnología e Innovación del Distrito Federal de la Ciudad de México

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Catalysis

Reference57 articles.

1. Gold atoms stabilized on various supports catalyze the water–gas shift reaction;Flytzani-Stephanopoulos;Acc. Chem. Res.,2014

2. The water–gas shift reaction;Newsome;Catal. Rev. Sci. Eng.,1980

3. Low-temperature water–gas shift reaction over supported Cu catalysts;Jeong;Renew. Energy,2014

4. Determination of kinetic parameters for the water–gas shift reaction on copper catalysts under realistic conditions for fuel cell applications;Koryabkina;J. Catal.,2003

Cited by 54 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. Synergistic effect of zirconia oxygen vacancies and Cu nanoparticles on catalytic conversion of CO2 to CO at low temperatures;International Journal of Hydrogen Energy;2024-07

2. Structure Sensitivity of the Water–Gas Shift Reaction over Cu/CeO₂: A Combination of DFT, MF-MKM, and kMC;The Journal of Physical Chemistry C;2024-06-06

3. Efficient hydrodeoxygenation of tetrahydrofuran 2,5-dicarboxylic acid to adipic acid over Pt-MOx catalysts: An experimental and computational study;Catalysis Today;2024-06

4. CeO_x/TiO₂-Supported Copper Cluster for the Water–Gas Shift Reaction: Active Site Identification Based on MF-MKM Modeling;The Journal of Physical Chemistry C;2024-05-31

5. The carbon deposition process on NiFe catalyst in CO methanation: A combined DFT and KMC study;Applied Surface Science;2024-05