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2016 | 129 | 1a | A-41-A-43
Article title

Study of the Clusterization of CdO Phase in ZnCdO Alloys by Modeling Fullerene-Like Zn₄₄Cd₄O₄₈ Cluster

Content
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EN
Abstracts
EN
The structural, cohesive and electronic properties of fullerene-like isolated Zn₄₄Cd₄O₄₈ cluster with consideration of CdO phase clusterization are studied in the frames of density functional theory B3LYP/3-21G(d). It is revealed that an enlargement of CdO phase content in Zn₄₄Cd₄O₄₈ cluster leads to nonlinear rapid increase in cohesive energy and cluster stability, as well as band-gap energy shrinkage.
Keywords
Year
Volume
129
Issue
1a
Pages
A-41-A-43
Physical description
Dates
published
2016-01
References
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Document Type
Publication order reference
YADDA identifier
bwmeta1.element.bwnjournal-article-appv129n1a06kz
Identifiers
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