Tampere University of Technology

TUTCRIS Research Portal

Growth behavior and magnetic properties of spherical uranium oxide nanoclusters

Research output: Contribution to journalArticleScientificpeer-review

Standard

Growth behavior and magnetic properties of spherical uranium oxide nanoclusters. / Ma, Li; Ray, Asok K.

In: Journal of Computational and Theoretical Nanoscience, Vol. 10, No. 2, 02.2013, p. 334-340.

Research output: Contribution to journalArticleScientificpeer-review

Harvard

Ma, L & Ray, AK 2013, 'Growth behavior and magnetic properties of spherical uranium oxide nanoclusters', Journal of Computational and Theoretical Nanoscience, vol. 10, no. 2, pp. 334-340. https://doi.org/10.1166/jctn.2013.2701

APA

Ma, L., & Ray, A. K. (2013). Growth behavior and magnetic properties of spherical uranium oxide nanoclusters. Journal of Computational and Theoretical Nanoscience, 10(2), 334-340. https://doi.org/10.1166/jctn.2013.2701

Vancouver

Ma L, Ray AK. Growth behavior and magnetic properties of spherical uranium oxide nanoclusters. Journal of Computational and Theoretical Nanoscience. 2013 Feb;10(2):334-340. https://doi.org/10.1166/jctn.2013.2701

Author

Ma, Li ; Ray, Asok K. / Growth behavior and magnetic properties of spherical uranium oxide nanoclusters. In: Journal of Computational and Theoretical Nanoscience. 2013 ; Vol. 10, No. 2. pp. 334-340.

Bibtex - Download

@article{cdc8b10aa65a4ee8988a86ea7db43f95,
title = "Growth behavior and magnetic properties of spherical uranium oxide nanoclusters",
abstract = "The growth behavior and magnetic properties of spherical uranium oxide nanoclusters have been investigated using the generalized gradient approximation (GGA) to density functional theory (DFT). The geometries of UnO m clusters remain the Oh symmetry after DFT relaxation. The largest binding energy corresponds to the cluster with the smallest deviation from the bulk (UO2) ratio. The electronic structures and magnetic properties of these nanoclusters are presented. We find the chemical bonding between the U and O atoms has a significant ionic character. The reduction of magnetism in the inner positions can be understood by the charge transfer and the hybridization between U atoms and the neighboring O atoms.",
keywords = "Growth behavior, Magnetism, Nanoclusters, Uranium oxide",
author = "Li Ma and Ray, {Asok K.}",
year = "2013",
month = "2",
doi = "10.1166/jctn.2013.2701",
language = "English",
volume = "10",
pages = "334--340",
journal = "Journal of Computational and Theoretical Nanoscience",
issn = "1546-1955",
publisher = "American Scientific Publishers",
number = "2",

}

RIS (suitable for import to EndNote) - Download

TY - JOUR

T1 - Growth behavior and magnetic properties of spherical uranium oxide nanoclusters

AU - Ma, Li

AU - Ray, Asok K.

PY - 2013/2

Y1 - 2013/2

N2 - The growth behavior and magnetic properties of spherical uranium oxide nanoclusters have been investigated using the generalized gradient approximation (GGA) to density functional theory (DFT). The geometries of UnO m clusters remain the Oh symmetry after DFT relaxation. The largest binding energy corresponds to the cluster with the smallest deviation from the bulk (UO2) ratio. The electronic structures and magnetic properties of these nanoclusters are presented. We find the chemical bonding between the U and O atoms has a significant ionic character. The reduction of magnetism in the inner positions can be understood by the charge transfer and the hybridization between U atoms and the neighboring O atoms.

AB - The growth behavior and magnetic properties of spherical uranium oxide nanoclusters have been investigated using the generalized gradient approximation (GGA) to density functional theory (DFT). The geometries of UnO m clusters remain the Oh symmetry after DFT relaxation. The largest binding energy corresponds to the cluster with the smallest deviation from the bulk (UO2) ratio. The electronic structures and magnetic properties of these nanoclusters are presented. We find the chemical bonding between the U and O atoms has a significant ionic character. The reduction of magnetism in the inner positions can be understood by the charge transfer and the hybridization between U atoms and the neighboring O atoms.

KW - Growth behavior

KW - Magnetism

KW - Nanoclusters

KW - Uranium oxide

UR - http://www.scopus.com/inward/record.url?scp=84876525693&partnerID=8YFLogxK

U2 - 10.1166/jctn.2013.2701

DO - 10.1166/jctn.2013.2701

M3 - Article

VL - 10

SP - 334

EP - 340

JO - Journal of Computational and Theoretical Nanoscience

JF - Journal of Computational and Theoretical Nanoscience

SN - 1546-1955

IS - 2

ER -