Energy characteristics of carbon clusters with passivated bonds

V. V. Rotkin; R. A. Suris

doi:10.1134/1.1130859

Energy characteristics of carbon clusters with passivated bonds

V. V. Rotkin, R. A. Suris

Engineering Science and Mechanics

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

5 Scopus citations

Abstract

A modified phenomenological model is proposed for calculating the formation energy of carbon nanoclusters which makes it possible to analyze the regions of existence of clusters of various forms. A new parameter of the model, which corresponds to passivation of broken carbon bonds, affects the shape of the equilibrium optimum clusters, i.e., those having a minimum energy for a fixed number of atoms. Analytic dependences of equilibrium-configuration states determining the existence of spheroidal closed clusters, nanopipes, and fragments of a graphite plane, on the broken-bond energy parameter obtained in this model are presented.

Original language	English (US)
Pages (from-to)	729-732
Number of pages	4
Journal	Physics of the Solid State
Volume	41
Issue number	5
DOIs	https://doi.org/10.1134/1.1130859
State	Published - May 1999

All Science Journal Classification (ASJC) codes

Electronic, Optical and Magnetic Materials
Condensed Matter Physics

Access to Document

10.1134/1.1130859

Cite this

@article{21be7deba58f410e9231854430758eec,

title = "Energy characteristics of carbon clusters with passivated bonds",

abstract = "A modified phenomenological model is proposed for calculating the formation energy of carbon nanoclusters which makes it possible to analyze the regions of existence of clusters of various forms. A new parameter of the model, which corresponds to passivation of broken carbon bonds, affects the shape of the equilibrium optimum clusters, i.e., those having a minimum energy for a fixed number of atoms. Analytic dependences of equilibrium-configuration states determining the existence of spheroidal closed clusters, nanopipes, and fragments of a graphite plane, on the broken-bond energy parameter obtained in this model are presented.",

author = "Rotkin, {V. V.} and Suris, {R. A.}",

note = "Funding Information: This work was partially supported by Grants No. 98602 of the Program on Fullerenes and Atomic Clusters, No. 1-001 of the Russian Program on the Physics of Solid Nano-structures, and No. 96-15-96348 of the Russian Fund for Fundamental Research",

year = "1999",

month = may,

doi = "10.1134/1.1130859",

language = "English (US)",

volume = "41",

pages = "729--732",

journal = "Physics of the Solid State",

issn = "1063-7834",

publisher = "Pleiades Publishing",

number = "5",

}

TY - JOUR

T1 - Energy characteristics of carbon clusters with passivated bonds

AU - Rotkin, V. V.

AU - Suris, R. A.

N1 - Funding Information: This work was partially supported by Grants No. 98602 of the Program on Fullerenes and Atomic Clusters, No. 1-001 of the Russian Program on the Physics of Solid Nano-structures, and No. 96-15-96348 of the Russian Fund for Fundamental Research

PY - 1999/5

Y1 - 1999/5

N2 - A modified phenomenological model is proposed for calculating the formation energy of carbon nanoclusters which makes it possible to analyze the regions of existence of clusters of various forms. A new parameter of the model, which corresponds to passivation of broken carbon bonds, affects the shape of the equilibrium optimum clusters, i.e., those having a minimum energy for a fixed number of atoms. Analytic dependences of equilibrium-configuration states determining the existence of spheroidal closed clusters, nanopipes, and fragments of a graphite plane, on the broken-bond energy parameter obtained in this model are presented.

AB - A modified phenomenological model is proposed for calculating the formation energy of carbon nanoclusters which makes it possible to analyze the regions of existence of clusters of various forms. A new parameter of the model, which corresponds to passivation of broken carbon bonds, affects the shape of the equilibrium optimum clusters, i.e., those having a minimum energy for a fixed number of atoms. Analytic dependences of equilibrium-configuration states determining the existence of spheroidal closed clusters, nanopipes, and fragments of a graphite plane, on the broken-bond energy parameter obtained in this model are presented.

UR - http://www.scopus.com/inward/record.url?scp=0033239342&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0033239342&partnerID=8YFLogxK

U2 - 10.1134/1.1130859

DO - 10.1134/1.1130859

M3 - Article

AN - SCOPUS:0033239342

SN - 1063-7834

VL - 41

SP - 729

EP - 732

JO - Physics of the Solid State

JF - Physics of the Solid State

IS - 5

ER -

Energy characteristics of carbon clusters with passivated bonds

Abstract

All Science Journal Classification (ASJC) codes

Access to Document

Other files and links

Fingerprint

Cite this