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Title: Single atom catalysts on amorphous supports: A quenched disorder perspective

Abstract

Phenomenological models that invoke catalyst sites with different adsorption constants and rate constants are well-established, but computational and experimental methods are just beginning to provide atomically resolved details about amorphous surfaces and their active sites. This letter develops a statistical transformation from the quenched disorder distribution of site structures to the distribution of activation energies for sites on amorphous supports. We show that the overall kinetics are highly sensitive to the precise nature of the low energy tail in the activation energy distribution. Our analysis motivates further development of systematic methods to identify and understand the most reactive members of the active site distribution.

Authors:
;
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1421558
Grant/Contract Number:  
FG02-03ER15467
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 142 Journal Issue: 10; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Peters, Baron, and Scott, Susannah L. Single atom catalysts on amorphous supports: A quenched disorder perspective. United States: N. p., 2015. Web. doi:10.1063/1.4914145.
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Peters, Baron, & Scott, Susannah L. Single atom catalysts on amorphous supports: A quenched disorder perspective. United States. https://doi.org/10.1063/1.4914145
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Peters, Baron, and Scott, Susannah L. Fri . "Single atom catalysts on amorphous supports: A quenched disorder perspective". United States. https://doi.org/10.1063/1.4914145.
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@article{osti_1421558,
title = {Single atom catalysts on amorphous supports: A quenched disorder perspective},
author = {Peters, Baron and Scott, Susannah L.},
abstractNote = {Phenomenological models that invoke catalyst sites with different adsorption constants and rate constants are well-established, but computational and experimental methods are just beginning to provide atomically resolved details about amorphous surfaces and their active sites. This letter develops a statistical transformation from the quenched disorder distribution of site structures to the distribution of activation energies for sites on amorphous supports. We show that the overall kinetics are highly sensitive to the precise nature of the low energy tail in the activation energy distribution. Our analysis motivates further development of systematic methods to identify and understand the most reactive members of the active site distribution.},
doi = {10.1063/1.4914145},
journal = {Journal of Chemical Physics},
number = 10,
volume = 142,
place = {United States},
year = {Fri Mar 13 00:00:00 EDT 2015},
month = {Fri Mar 13 00:00:00 EDT 2015}
}
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https://doi.org/10.1063/1.4914145
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