Mechanical Stress Combined with Alloying May Allow Continuous Control Over Reactivity: Strain Effects on CO Dissociation and Subsequent Methanation Catalysis over Ni(211), Ni3Fe(211), and NiFe(112)
Francis, Michael F.; Curtin, William A.
2017

Abstract

Mechanical stress combined with alloying as controlled by CO dissociation is investigated for the control of methanation activity. CO dissociation over strained Ni(211), Ni3Fe(211), and NiFe(112) is investigated. A continuous 0.62 eV range of CO reaction energy is achievable considering the examined alloys and strains. The CO dissociation energy spanned by the strained NixFey surfaces includes that of elemental Ni, Ru, Co, Rh, and Ir. The linear relationship between activation energy and reaction energy is found to be the same under strain as under alloying, suggesting strain as a similar alchemical tool. Peak activity is achievable for each alloy depending on the selection of strain.

Details

Title Mechanical Stress Combined with Alloying May Allow Continuous Control Over Reactivity: Strain Effects on CO Dissociation and Subsequent Methanation Catalysis over Ni(211), Ni3Fe(211), and NiFe(112)
Author(s) Francis, Michael F. ; Curtin, William A.
Published in Journal Of Physical Chemistry C
Pagination 7
Volume 121
Issue 11
Pages 6113-6119
Date 2017
Publisher Washington, Amer Chemical Soc
ISSN 1932-7447
DOI https://doi.org/10.1021/acsjpcc.6b12329
Other identifier(s) View record in Web of Science
Laboratories LAMMM
SCI-STI-JVH
Record Appears in Scientific production and competences > STI - School of Engineering > IGM - Institute of Mechanical Engineering > LAMMM - Laboratory for Multiscale Mechanics Modeling
Scientific production and competences > STI - School of Engineering > IGM - Institute of Mechanical Engineering > SCI-STI-JVH - SCI-STI-JVH Group
Peer-reviewed publications
Work produced at EPFL
Journal Articles
Published
Record creation date 2017-05-01

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