ABOUT INDEXING BOARD ARCHIVES AUTHOR GUIDELINES SUBMIT PAPER AUTHOR'S PAGE NEWS, EVENTS CONTACT
REVISTA DE CHIMIE
Cite as: Rev. Chim.
https://doi.org/10.37358/Rev.Chim.1949

OSIM Nr. R102355
ISSN Print 0034-7752
ISSN Online 2668-8212
Journal Metrics
* Impact Factor 2019: 1.755
* 5-Year IF: 1.351
* CiteScore: 2.2
* H index: 28
(InCites Journal Citation Reports)

REVISTA DE CHIMIE Latest Issue

LATEST ISSUE >>>

   Volume 72, 2021
   Volume 71, 2020
   Volume 70, 2019
   Volume 69, 2018
   Volume 68, 2017
   Volume 67, 2016
   Volume 66, 2015
   Volume 65, 2014
   Volume 64, 2013
   Volume 63, 2012
   Volume 62, 2011
   Volume 61, 2010
   Volume 60, 2009
   Volume 59, 2008
   Volume 58, 2007
 
<<<< back

Revista de Chimie (Rev. Chim.), Year 2021, Volume 72, Issue 3, 22-32

https://doi.org/10.37358/RC.21.3.8434

Fei Wu, Haigang Li, Chen Cheng, Hao Zhang, Shunxin Fei

Synergistic Effect of FeNi Bimetallic Clusters for the Catalytic of Hydrogen Dissociation and Desorption: A Density Functional Theory Study



Abstract:

Cognition to the metal-metal interactions is of vital importance for the catalytic process and would help exploring novel catalysts. In the present study, the model system of FexNiy (x + y = 6) bimetallic clusters was utilized to study how metal-metal interactions influence the catalytic performance. The formation energies of different FeNi clusters, the hydrogen chemisorption energies together with the maximum hydrogen capacity and the saturated hydrogen atoms desorption energies were calculated. Bimetallic clusters exhibit a superior performance than pure clusters. Especially, Fe2Ni4 cluster has the highest hydrogen loading capacity, the most facile hydrogen molecule dissociation activation energy barrier and the lowest hydrogen atom desorption energy, suggesting that it is easier to dissociate H2 and release the H atoms. As a consequence, by adjusting appropriate metal/metal ratios, it is possible to design bimetallic catalysts with excellent catalytic performance.
Keywords:
Fe-Ni bimetal; catalysis; metal-metal interactions; activity promotion

Issue: 2021, Volume 72, Issue 3
Pages: 22-32
Publication date: 2021/7/29
https://doi.org/10.37358/RC.21.3.8434
download pdf   Download Pdf Article
Creative Commons License
This article is published under the Creative Commons Attribution 4.0 International License
Citation Styles
Cite this article as:
WU, F., LI, H., CHENG, C., ZHANG, H., FEI, S., Synergistic Effect of FeNi Bimetallic Clusters for the Catalytic of Hydrogen Dissociation and Desorption: A Density Functional Theory Study

, Rev. Chim., 72(3), 2021, 22-32.

Vancouver
Wu F, Li H, Cheng C, Zhang H, Fei S. Synergistic Effect of FeNi Bimetallic Clusters for the Catalytic of Hydrogen Dissociation and Desorption: A Density Functional Theory Study

. Rev. Chim.[internet]. 2021 Mar;72(3):22-32. Available from: https://doi.org/10.37358/RC.21.3.8434


APA 6th edition
Wu, F., Li, H., Cheng, C., Zhang, H. & Fei, S. (2021). Synergistic Effect of FeNi Bimetallic Clusters for the Catalytic of Hydrogen Dissociation and Desorption: A Density Functional Theory Study

. Revista de Chimie, 72(3), 22-32. https://doi.org/10.37358/RC.21.3.8434


Harvard
Wu, F., Li, H., Cheng, C., Zhang, H., Fei, S. (2021). 'Synergistic Effect of FeNi Bimetallic Clusters for the Catalytic of Hydrogen Dissociation and Desorption: A Density Functional Theory Study

', Revista de Chimie, 72(3), pp. 22-32. https://doi.org/10.37358/RC.21.3.8434


IEEE
F. Wu, H. Li, C. Cheng, H. Zhang, S. Fei, "Synergistic Effect of FeNi Bimetallic Clusters for the Catalytic of Hydrogen Dissociation and Desorption: A Density Functional Theory Study

". Revista de Chimie, vol. 72, no. 3, pp. 22-32, 2021. [online]. https://doi.org/10.37358/RC.21.3.8434


Text
Fei Wu, Haigang Li, Chen Cheng, Hao Zhang, Shunxin Fei,
Synergistic Effect of FeNi Bimetallic Clusters for the Catalytic of Hydrogen Dissociation and Desorption: A Density Functional Theory Study

,
Revista de Chimie,
Volume 72, Issue 3,
2021,
Pages 22-32,
ISSN 2668-8212,
https://doi.org/10.37358/RC.21.3.8434.
(https://revistadechimie.ro/Articles.asp?ID=8434)
Keywords: Fe-Ni bimetal; catalysis; metal-metal interactions; activity promotion


RIS
TY - JOUR
T1 - Synergistic Effect of FeNi Bimetallic Clusters for the Catalytic of Hydrogen Dissociation and Desorption: A Density Functional Theory Study


A1 - Wu, Fei
A2 - Li, Haigang
A3 - Cheng, Chen
A4 - Zhang, Hao
A5 - Fei, Shunxin
JF - Revista de Chimie
JO - Rev. Chim.
PB - Revista de Chimie SRL
SN - 2668-8212
Y1 - 2021
VL - 72
IS - 3
SP - 22
EP - 32
UR - https://doi.org/10.37358/RC.21.3.8434
KW - Fe-Ni bimetal
KW - catalysis
KW - metal-metal interactions
KW - activity promotion
ER -


BibTex
@article{RevCh2021P22,
author = {Wu Fei and Li Haigang and Cheng Chen and Zhang Hao and Fei Shunxin},
title = {Synergistic Effect of FeNi Bimetallic Clusters for the Catalytic of Hydrogen Dissociation and Desorption: A Density Functional Theory Study

},
journal = {Revista de Chimie},
volume = {72},
number = {3},
pages = {22-32},
year = {2021},
issn = {2668-8212},
doi = {https://doi.org/10.37358/RC.21.3.8434},
url = {https://revistadechimie.ro/Articles.asp?ID=8434}
}
 
<<<< back
 
PUBLISHING SECTION
Author Guidelines
 * Paper Drafting
 * Paper Template
 * Ethical Statement
 * Paper Submission
Ghidul Autorului (ro)
Submit Paper
Author's Page
Publishing Ethics
Peer Review Process
Open Access & Archiving Policy
 Search Authors
 LATEST NEWS
REvista de Chimie NUMAR OMAGIAL PETRU PONI.. detalii
REvista de Chimie Revista de Chimie - 70 de ani de aparitie neintrerupta.. detalii
dictionar English-Romanian Dictionary for Mechanical Engineering
(download pdf)
  News, Events
Crossref Member Badge
 DOI  logo
 Gold Open Access | Source=http://www.plos.org/  | Author=art designer at PLoS
Creative Commons License
 Conferences of Contemporary
 Chemistry
 Biblioteca Chimiei
 Materiale Plastice