Mechanistic aspects in the direct synthesis of hydrogen peroxide on PdAu catalyst from first principles

Research output: Contribution to journalReview article

20 Citations (Scopus)

Abstract

The development of green processes for the direct synthesis of H2O2 from H2 and O2 is of environmental and commercial importance. Basic understanding toward the high activity and selectivity of the PdAu bimetallic catalysts will be helpful for its further improvement. In this mini review main results in our previous studies are discussed and summarized. A mechanistic explanation for the origin of the high activity and selectivity achieved on the PdAu catalysts is put forward on the basis of that the effect of the co-adsorbed H atoms on the PdAu surface is taken into account. The role of the catalyst in the direct H2O2 synthesis might be just to supply active H atoms, by cleaving H2 molecule, as the feedstock for the hydrogenation of O2. It is shown from our DFT calculations that on the PdAu bimetallic catalyst the high activity of Pd and the high selectivity of Au are balanced and then high overall performance is accomplished for the synthesis of H2O2.

Original languageEnglish
Pages (from-to)142-148
Number of pages7
JournalCatalysis Today
Volume248
DOIs
Publication statusPublished - Jun 15 2015
Externally publishedYes

Fingerprint

Hydrogen peroxide
Hydrogen Peroxide
Catalysts
Catalyst selectivity
Catalyst activity
Atoms
Discrete Fourier transforms
Feedstocks
Hydrogenation
Molecules

All Science Journal Classification (ASJC) codes

  • Catalysis
  • Chemistry(all)

Cite this

Mechanistic aspects in the direct synthesis of hydrogen peroxide on PdAu catalyst from first principles. / Li, Jun; Yoshizawa, Kazunari.

In: Catalysis Today, Vol. 248, 15.06.2015, p. 142-148.

Research output: Contribution to journalReview article

@article{7b647c3de95f41d29f943ff0d6fa6138,
title = "Mechanistic aspects in the direct synthesis of hydrogen peroxide on PdAu catalyst from first principles",
abstract = "The development of green processes for the direct synthesis of H2O2 from H2 and O2 is of environmental and commercial importance. Basic understanding toward the high activity and selectivity of the PdAu bimetallic catalysts will be helpful for its further improvement. In this mini review main results in our previous studies are discussed and summarized. A mechanistic explanation for the origin of the high activity and selectivity achieved on the PdAu catalysts is put forward on the basis of that the effect of the co-adsorbed H atoms on the PdAu surface is taken into account. The role of the catalyst in the direct H2O2 synthesis might be just to supply active H atoms, by cleaving H2 molecule, as the feedstock for the hydrogenation of O2. It is shown from our DFT calculations that on the PdAu bimetallic catalyst the high activity of Pd and the high selectivity of Au are balanced and then high overall performance is accomplished for the synthesis of H2O2.",
author = "Jun Li and Kazunari Yoshizawa",
year = "2015",
month = "6",
day = "15",
doi = "10.1016/j.cattod.2014.04.009",
language = "English",
volume = "248",
pages = "142--148",
journal = "Catalysis Today",
issn = "0920-5861",
publisher = "Elsevier",

}

TY - JOUR

T1 - Mechanistic aspects in the direct synthesis of hydrogen peroxide on PdAu catalyst from first principles

AU - Li, Jun

AU - Yoshizawa, Kazunari

PY - 2015/6/15

Y1 - 2015/6/15

N2 - The development of green processes for the direct synthesis of H2O2 from H2 and O2 is of environmental and commercial importance. Basic understanding toward the high activity and selectivity of the PdAu bimetallic catalysts will be helpful for its further improvement. In this mini review main results in our previous studies are discussed and summarized. A mechanistic explanation for the origin of the high activity and selectivity achieved on the PdAu catalysts is put forward on the basis of that the effect of the co-adsorbed H atoms on the PdAu surface is taken into account. The role of the catalyst in the direct H2O2 synthesis might be just to supply active H atoms, by cleaving H2 molecule, as the feedstock for the hydrogenation of O2. It is shown from our DFT calculations that on the PdAu bimetallic catalyst the high activity of Pd and the high selectivity of Au are balanced and then high overall performance is accomplished for the synthesis of H2O2.

AB - The development of green processes for the direct synthesis of H2O2 from H2 and O2 is of environmental and commercial importance. Basic understanding toward the high activity and selectivity of the PdAu bimetallic catalysts will be helpful for its further improvement. In this mini review main results in our previous studies are discussed and summarized. A mechanistic explanation for the origin of the high activity and selectivity achieved on the PdAu catalysts is put forward on the basis of that the effect of the co-adsorbed H atoms on the PdAu surface is taken into account. The role of the catalyst in the direct H2O2 synthesis might be just to supply active H atoms, by cleaving H2 molecule, as the feedstock for the hydrogenation of O2. It is shown from our DFT calculations that on the PdAu bimetallic catalyst the high activity of Pd and the high selectivity of Au are balanced and then high overall performance is accomplished for the synthesis of H2O2.

UR - http://www.scopus.com/inward/record.url?scp=85027956220&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85027956220&partnerID=8YFLogxK

U2 - 10.1016/j.cattod.2014.04.009

DO - 10.1016/j.cattod.2014.04.009

M3 - Review article

AN - SCOPUS:85027956220

VL - 248

SP - 142

EP - 148

JO - Catalysis Today

JF - Catalysis Today

SN - 0920-5861

ER -