Melting phase transitions and catalytic activity of bilayer gold nanoclusters

Yanting Wang, Sergey Rashkeev

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

Recent experiments in oxidation catalysis indicate that bilayer gold nanostructures exhibit exceptional catalytic activity at ambient temperatures. Here we use molecular dynamics simulations to show that an unsupported bilayer gold nanocluster has a melting transition smeared out over a broad temperature range. The transition is characterized by an interplay between the intralayer and interlayer diffusion processes, and the transition temperature region ranges from about 300 to 1200 K. We suggest that surface thermal instabilities of partially melted bilayer gold nanoclusters result in their exceptional catalytic activity at ambient temperatures. For gold nanoclusters with more than two layers, the melting transition temperature range narrows, and the activity of the cluster decreases due to the suppression of surface fluctuations. These results systematically explain experimental observations showing that catalytic ability of gold nanoclusters decreases with size.

Original languageEnglish
Pages (from-to)10517-10520
Number of pages4
JournalJournal of Physical Chemistry C
Volume113
Issue number24
DOIs
Publication statusPublished - 18 Jun 2009
Externally publishedYes

Fingerprint

Nanoclusters
nanoclusters
Gold
catalytic activity
Catalyst activity
Melting
Phase transitions
melting
gold
Superconducting transition temperature
ambient temperature
transition temperature
thermal instability
Temperature
Catalysis
catalysis
Melting point
Molecular dynamics
interlayers
Nanostructures

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Electronic, Optical and Magnetic Materials
  • Surfaces, Coatings and Films
  • Energy(all)

Cite this

Melting phase transitions and catalytic activity of bilayer gold nanoclusters. / Wang, Yanting; Rashkeev, Sergey.

In: Journal of Physical Chemistry C, Vol. 113, No. 24, 18.06.2009, p. 10517-10520.

Research output: Contribution to journalArticle

@article{28b2086099ec4ce886357c51ae882daa,
title = "Melting phase transitions and catalytic activity of bilayer gold nanoclusters",
abstract = "Recent experiments in oxidation catalysis indicate that bilayer gold nanostructures exhibit exceptional catalytic activity at ambient temperatures. Here we use molecular dynamics simulations to show that an unsupported bilayer gold nanocluster has a melting transition smeared out over a broad temperature range. The transition is characterized by an interplay between the intralayer and interlayer diffusion processes, and the transition temperature region ranges from about 300 to 1200 K. We suggest that surface thermal instabilities of partially melted bilayer gold nanoclusters result in their exceptional catalytic activity at ambient temperatures. For gold nanoclusters with more than two layers, the melting transition temperature range narrows, and the activity of the cluster decreases due to the suppression of surface fluctuations. These results systematically explain experimental observations showing that catalytic ability of gold nanoclusters decreases with size.",
author = "Yanting Wang and Sergey Rashkeev",
year = "2009",
month = "6",
day = "18",
doi = "10.1021/jp902995x",
language = "English",
volume = "113",
pages = "10517--10520",
journal = "Journal of Physical Chemistry C",
issn = "1932-7447",
publisher = "American Chemical Society",
number = "24",

}

TY - JOUR

T1 - Melting phase transitions and catalytic activity of bilayer gold nanoclusters

AU - Wang, Yanting

AU - Rashkeev, Sergey

PY - 2009/6/18

Y1 - 2009/6/18

N2 - Recent experiments in oxidation catalysis indicate that bilayer gold nanostructures exhibit exceptional catalytic activity at ambient temperatures. Here we use molecular dynamics simulations to show that an unsupported bilayer gold nanocluster has a melting transition smeared out over a broad temperature range. The transition is characterized by an interplay between the intralayer and interlayer diffusion processes, and the transition temperature region ranges from about 300 to 1200 K. We suggest that surface thermal instabilities of partially melted bilayer gold nanoclusters result in their exceptional catalytic activity at ambient temperatures. For gold nanoclusters with more than two layers, the melting transition temperature range narrows, and the activity of the cluster decreases due to the suppression of surface fluctuations. These results systematically explain experimental observations showing that catalytic ability of gold nanoclusters decreases with size.

AB - Recent experiments in oxidation catalysis indicate that bilayer gold nanostructures exhibit exceptional catalytic activity at ambient temperatures. Here we use molecular dynamics simulations to show that an unsupported bilayer gold nanocluster has a melting transition smeared out over a broad temperature range. The transition is characterized by an interplay between the intralayer and interlayer diffusion processes, and the transition temperature region ranges from about 300 to 1200 K. We suggest that surface thermal instabilities of partially melted bilayer gold nanoclusters result in their exceptional catalytic activity at ambient temperatures. For gold nanoclusters with more than two layers, the melting transition temperature range narrows, and the activity of the cluster decreases due to the suppression of surface fluctuations. These results systematically explain experimental observations showing that catalytic ability of gold nanoclusters decreases with size.

UR - http://www.scopus.com/inward/record.url?scp=67650741805&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=67650741805&partnerID=8YFLogxK

U2 - 10.1021/jp902995x

DO - 10.1021/jp902995x

M3 - Article

VL - 113

SP - 10517

EP - 10520

JO - Journal of Physical Chemistry C

JF - Journal of Physical Chemistry C

SN - 1932-7447

IS - 24

ER -