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

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

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	A C S Catalysis
Volume	4
Issue number	1
DOIs	https://doi.org/10.1021/cs400727f
Publication status	Published - 3 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

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10.1021/cs400727f

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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.",

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

year = "2014",

month = jan,

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doi = "10.1021/cs400727f",

language = "English",

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AU - Yang, Bo

AU - Burch, Robbie

AU - Hardacre, Christopher

AU - Headdock, Gareth

AU - Hu, P.

PY - 2014/1/3

Y1 - 2014/1/3

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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

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EP - 186

JO - A C S Catalysis

JF - A C S Catalysis

IS - 1

ER -

Understanding the Optimal Adsorption Energies for Catalyst Screening in Heterogeneous Catalysis

Abstract

Keywords

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