Structure of small Ni clusters on SiO2

A. Jentys; D. H. Gay; A. L. Rohl

doi:10.1007/BF00813674

Structure of small Ni clusters on SiO₂

A. Jentys, D. H. Gay, A. L. Rohl

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

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Abstract

The geometry of small, silica supported Ni clusters has been studied using quantum mechanical cluster calculations and energy minimization techniques. A strong distortion from a spherical particle shape was found when the metal was in contact with the support. This resulted in a smaller average coordination number compared with isolated metal particles and in an increase of the interatomic distance for small particles.

Original language	English
Pages (from-to)	77-85
Number of pages	9
Journal	Catalysis Letters
Volume	30
Issue number	1-4
DOIs	https://doi.org/10.1007/BF00813674
State	Published - Mar 1994
Externally published	Yes

Keywords

Ni/SiO
clusters on surfaces
particle shape

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10.1007/BF00813674

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@article{1ee92b7bf89543548e08201abc52824c,

title = "Structure of small Ni clusters on SiO2",

abstract = "The geometry of small, silica supported Ni clusters has been studied using quantum mechanical cluster calculations and energy minimization techniques. A strong distortion from a spherical particle shape was found when the metal was in contact with the support. This resulted in a smaller average coordination number compared with isolated metal particles and in an increase of the interatomic distance for small particles.",

keywords = "Ni/SiO, clusters on surfaces, particle shape",

author = "A. Jentys and Gay, {D. H.} and Rohl, {A. L.}",

year = "1994",

month = mar,

doi = "10.1007/BF00813674",

language = "English",

volume = "30",

pages = "77--85",

journal = "Catalysis Letters",

issn = "1011-372X",

publisher = "Kluwer Academic Publishers",

number = "1-4",

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TY - JOUR

T1 - Structure of small Ni clusters on SiO2

AU - Jentys, A.

AU - Gay, D. H.

AU - Rohl, A. L.

PY - 1994/3

Y1 - 1994/3

N2 - The geometry of small, silica supported Ni clusters has been studied using quantum mechanical cluster calculations and energy minimization techniques. A strong distortion from a spherical particle shape was found when the metal was in contact with the support. This resulted in a smaller average coordination number compared with isolated metal particles and in an increase of the interatomic distance for small particles.

AB - The geometry of small, silica supported Ni clusters has been studied using quantum mechanical cluster calculations and energy minimization techniques. A strong distortion from a spherical particle shape was found when the metal was in contact with the support. This resulted in a smaller average coordination number compared with isolated metal particles and in an increase of the interatomic distance for small particles.

KW - Ni/SiO

KW - clusters on surfaces

KW - particle shape

UR - http://www.scopus.com/inward/record.url?scp=34249755214&partnerID=8YFLogxK

U2 - 10.1007/BF00813674

DO - 10.1007/BF00813674

M3 - Article

AN - SCOPUS:34249755214

SN - 1011-372X

VL - 30

SP - 77

EP - 85

JO - Catalysis Letters

JF - Catalysis Letters

IS - 1-4

ER -

Structure of small Ni clusters on SiO₂

Abstract

Keywords

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