Exploring the Structural and Electronic Properties of Niobium Carbide Clusters: A Density Functional...
Exploring the Structural and Electronic Properties of Niobium Carbide Clusters: A Density Functional Theory Study
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Publisher
Switzerland: MDPI AG
Journal title
Language
English
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Publisher
Switzerland: MDPI AG
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Scope and Contents
Contents
This paper systematically investigates the structure, stability, and electronic properties of niobium carbide clusters, Nb
C
(m = 5, 6; n = 1-7), using density functional theory. Nb
C
and Nb
C
possess higher dissociation energies and second-order difference energies, indicating that they have higher thermodynamic stability. Moreov...
Alternative Titles
Full title
Exploring the Structural and Electronic Properties of Niobium Carbide Clusters: A Density Functional Theory Study
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Author / Creator
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TN_cdi_doaj_primary_oai_doaj_org_article_b6578573851c4451ae54a3457c812969
Permalink
https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_doaj_primary_oai_doaj_org_article_b6578573851c4451ae54a3457c812969
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ISSN
1420-3049
E-ISSN
1420-3049
DOI
10.3390/molecules29133238
