Understanding the Optimal Adsorption Energies for Catalyst Screening in Heterogeneous Catalysis

Bo Yang; Robbie Burch; Christopher Hardacre; Gareth Headdock; P. Hu

doi:10.1021/cs400727f

Understanding the Optimal Adsorption Energies for Catalyst Screening in Heterogeneous Catalysis

Bo Yang
, Robbie Burch
, Christopher Hardacre^*
, Gareth Headdock
, P. Hu

^*Corresponding author for this work

School of Chemistry and Chemical Engineering

Research output: Contribution to journal › Article › peer-review

83 Citations (Scopus)

2354 Downloads (Pure)

Abstract

The fundamental understanding of the activity in heterogeneous catalysis has long been the major subject in chemistry. This paper shows the development of a two-step model to understand this activity. Using the theory of chemical potential kinetics with Bronsted-Evans-Polanyi relations, the general adsorption energy window is determined from volcano curves, using which the best catalysts can be searched. Significant insights into the reasons for catalytic activity are obtained.

Original language	English
Pages (from-to)	182-186
Number of pages	5
Journal	ACS Catalysis
Volume	4
Issue number	1
DOIs	https://doi.org/10.1021/cs400727f
Publication status	Published - 03 Jan 2014

Keywords

heterogeneous catalysis
Bronsted-Evans-Polanyi relation
volcano curve
two-step model
adsorption energy window
catalyst design
chemical potential
EVANS-POLANYI RELATION
TRANSITION-METAL SURFACES
VOLCANO CURVE
HYDROGENATION
DEHYDROGENATION
IDENTIFICATION
ACETYLENE

ASJC Scopus subject areas

Catalysis

Access to Document

10.1021/cs400727f

Understanding the Optimal Adsorption Energies for Catalyst Screening in Heterogeneous Catalysis
Copyright © 2013 American Chemical Society. This document is the Accepted Manuscript version of a Published Work that appeared in final form in ACS Catalysis, copyright American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see http://dx.doi.org/10.1021/cs400727f.
Accepted author manuscript, 474 KB

R1967CHM: Castech <CHEM/MATHS>
Goguet, A. (CoI), Hardacre, C. (CoI), Hu, P. (CoI), James, S. (CoI), Kohanoff, J. (CoI), Lagunas-Castedo, C. (CoI), Marr, A. (CoI), Paxton, A. (CoI), Rooney, D. (CoI), Shekhtman, S. (CoI), Sheldrake, G. (CoI) & Thompson, J. (CoI)
01/08/2008 → 31/12/2014
Project: Research

Cite this

@article{8098a76def8e437bb2681531fcdd1c53,

title = "Understanding the Optimal Adsorption Energies for Catalyst Screening in Heterogeneous Catalysis",

abstract = "The fundamental understanding of the activity in heterogeneous catalysis has long been the major subject in chemistry. This paper shows the development of a two-step model to understand this activity. Using the theory of chemical potential kinetics with Bronsted-Evans-Polanyi relations, the general adsorption energy window is determined from volcano curves, using which the best catalysts can be searched. Significant insights into the reasons for catalytic activity are obtained. ",

keywords = "heterogeneous catalysis, Bronsted-Evans-Polanyi relation, volcano curve, two-step model, adsorption energy window, catalyst design, chemical potential, EVANS-POLANYI RELATION, TRANSITION-METAL SURFACES, VOLCANO CURVE, HYDROGENATION, DEHYDROGENATION, IDENTIFICATION, ACETYLENE",

author = "Bo Yang and Robbie Burch and Christopher Hardacre and Gareth Headdock and P. Hu",

year = "2014",

month = jan,

day = "3",

doi = "10.1021/cs400727f",

language = "English",

volume = "4",

pages = "182--186",

journal = "ACS Catalysis",

issn = "2155-5435",

publisher = "American Chemical Society",

number = "1",

}

TY - JOUR

T1 - Understanding the Optimal Adsorption Energies for Catalyst Screening in Heterogeneous Catalysis

AU - Yang, Bo

AU - Burch, Robbie

AU - Hardacre, Christopher

AU - Headdock, Gareth

AU - Hu, P.

PY - 2014/1/3

Y1 - 2014/1/3

N2 - The fundamental understanding of the activity in heterogeneous catalysis has long been the major subject in chemistry. This paper shows the development of a two-step model to understand this activity. Using the theory of chemical potential kinetics with Bronsted-Evans-Polanyi relations, the general adsorption energy window is determined from volcano curves, using which the best catalysts can be searched. Significant insights into the reasons for catalytic activity are obtained.

AB - The fundamental understanding of the activity in heterogeneous catalysis has long been the major subject in chemistry. This paper shows the development of a two-step model to understand this activity. Using the theory of chemical potential kinetics with Bronsted-Evans-Polanyi relations, the general adsorption energy window is determined from volcano curves, using which the best catalysts can be searched. Significant insights into the reasons for catalytic activity are obtained.

KW - heterogeneous catalysis

KW - Bronsted-Evans-Polanyi relation

KW - volcano curve

KW - two-step model

KW - adsorption energy window

KW - catalyst design

KW - chemical potential

KW - EVANS-POLANYI RELATION

KW - TRANSITION-METAL SURFACES

KW - VOLCANO CURVE

KW - HYDROGENATION

KW - DEHYDROGENATION

KW - IDENTIFICATION

KW - ACETYLENE

U2 - 10.1021/cs400727f

DO - 10.1021/cs400727f

M3 - Article

SN - 2155-5435

VL - 4

SP - 182

EP - 186

JO - ACS Catalysis

JF - ACS Catalysis

IS - 1

ER -

Understanding the Optimal Adsorption Energies for Catalyst Screening in Heterogeneous Catalysis

Abstract

Keywords

ASJC Scopus subject areas

Access to Document

Fingerprint

Projects

R1967CHM: Castech <CHEM/MATHS>

Cite this