Please use this identifier to cite or link to this item: https://hdl.handle.net/10356/107128
Title: Chain growth mechanism on bimetallic surfaces for higher alcohol synthesis from syngas
Authors: Wang, Jingbo
Zhang, Xiurong
Sun, Qiang
Chan, Siew Hwa
Su, Haibin
Keywords: DRNTU::Engineering::Mechanical engineering
DRNTU::Engineering::Materials::Mechanical strength of materials
Issue Date: 2014
Source: Wang, J., Zhang, X., Sun, Q., Chan, S., & Su, H. (2015). Chain growth mechanism on bimetallic surfaces for higher alcohol synthesis from syngas. Catalysis communications, 61(10), 57–61.
Series/Report no.: Catalysis communications
Abstract: Density function theory calculations are performed to investigate the chain growth mechanism on bimetallic surfaces during the syngas conversion. The weighted d-band center correlates well with the adsorption energy of two reactants on bimetallic surface. The boundary between Cu and Co domains facilitates the association reaction of chain growth. Particularly, the reduction of barrier for CO insertion step accelerates the formation of acyl intermediate and thus provides paths to higher alcohol synthesis. The present work demonstrates the synergistic effect in the bimetallic surface from the microscopic view.
URI: https://hdl.handle.net/10356/107128
http://hdl.handle.net/10220/25275
DOI: 10.1016/j.catcom.2014.12.010
Rights: © 2014 Elsevier B.V. This is the author created version of a work that has been peer reviewed and accepted for publication by Catalysis Communications, Elsevier B.V. It incorporates referee’s comments but changes resulting from the publishing process, such as copyediting, structural formatting, may not be reflected in this document. The published version is available at: [http://dx.doi.org/10.1016/j.catcom.2014.12.010].
Fulltext Permission: open
Fulltext Availability: With Fulltext
Appears in Collections:MAE Journal Articles
MSE Journal Articles

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