Spontaneous formation of dipolar metal nanoclusters

Sara E. Mason; Elizabeth A. Sokol; Valentino R. Cooper; Andrew M. Rappe

doi:10.1021/jp8105088

Spontaneous formation of dipolar metal nanoclusters

Sara E. Mason
, Elizabeth A. Sokol
, Valentino R. Cooper
, Andrew M. Rappe

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

10 Scopus citations

Abstract

The adsorption of three- and four-atom Ag and Pd clusters on the a-Al2O3 (0001) surface is explored with density functional theory. Within each adsorbed cluster, two different cluster-surface interactions are present. We find that clusters simultaneously form both ionic bonds with surface oxygen and intermetallic bonds with surface aluminum. The simultaneous formation of disparate electronic structure motifs within a single metal nanoparticle is termed a "dipolar nanocluster". This coexistence is ascribed to a balance of geometric constraints and metal electronic structure, and its importance for nanoparticle catalysis is highlighted.

Original language	English
Pages (from-to)	4134-4137
Number of pages	4
Journal	Journal of Physical Chemistry A
Volume	113
Issue number	16
DOIs	https://doi.org/10.1021/jp8105088
State	Published - Apr 23 2009

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title = "Spontaneous formation of dipolar metal nanoclusters",

abstract = "The adsorption of three- and four-atom Ag and Pd clusters on the a-Al2O3 (0001) surface is explored with density functional theory. Within each adsorbed cluster, two different cluster-surface interactions are present. We find that clusters simultaneously form both ionic bonds with surface oxygen and intermetallic bonds with surface aluminum. The simultaneous formation of disparate electronic structure motifs within a single metal nanoparticle is termed a {"}dipolar nanocluster{"}. This coexistence is ascribed to a balance of geometric constraints and metal electronic structure, and its importance for nanoparticle catalysis is highlighted.",

author = "Mason, \{Sara E.\} and Sokol, \{Elizabeth A.\} and Cooper, \{Valentino R.\} and Rappe, \{Andrew M.\}",

year = "2009",

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T1 - Spontaneous formation of dipolar metal nanoclusters

AU - Mason, Sara E.

AU - Sokol, Elizabeth A.

AU - Cooper, Valentino R.

AU - Rappe, Andrew M.

PY - 2009/4/23

Y1 - 2009/4/23

N2 - The adsorption of three- and four-atom Ag and Pd clusters on the a-Al2O3 (0001) surface is explored with density functional theory. Within each adsorbed cluster, two different cluster-surface interactions are present. We find that clusters simultaneously form both ionic bonds with surface oxygen and intermetallic bonds with surface aluminum. The simultaneous formation of disparate electronic structure motifs within a single metal nanoparticle is termed a "dipolar nanocluster". This coexistence is ascribed to a balance of geometric constraints and metal electronic structure, and its importance for nanoparticle catalysis is highlighted.

AB - The adsorption of three- and four-atom Ag and Pd clusters on the a-Al2O3 (0001) surface is explored with density functional theory. Within each adsorbed cluster, two different cluster-surface interactions are present. We find that clusters simultaneously form both ionic bonds with surface oxygen and intermetallic bonds with surface aluminum. The simultaneous formation of disparate electronic structure motifs within a single metal nanoparticle is termed a "dipolar nanocluster". This coexistence is ascribed to a balance of geometric constraints and metal electronic structure, and its importance for nanoparticle catalysis is highlighted.

UR - https://www.scopus.com/pages/publications/65649114351

U2 - 10.1021/jp8105088

DO - 10.1021/jp8105088

M3 - Article

AN - SCOPUS:65649114351

SN - 1089-5639

VL - 113

SP - 4134

EP - 4137

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

IS - 16

ER -

Spontaneous formation of dipolar metal nanoclusters

Abstract

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