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Recolector de Ciencia Abierta, RECOLECTA
Article . 2008
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Recolector de Ciencia Abierta, RECOLECTA
Article . 2022
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DFT calculations of Cun Om 0 / + clusters: Evidence for Cu2O building blocks

descriptionPublicationkeyboard_double_arrow_right Article 01 Jan 2008 English Publisher:Elsevier BV
Authors: Jadraque, María; Martín Muñoz, Margarita;

handle: 10261/258514

DFT calculations of Cun Om 0 / + clusters: Evidence for Cu2O building blocks

Abstract

The structures of Cun Om + / 0 and Cun Om Hl + / 0 clusters are obtained by DFT calculations. Clusters with even and odd number of copper atoms can be, respectively represented as (Cu2 O)n + and [(Cu2O)nCu]+. The latter are highly symmetrical and show positive charge uniformly distributed on the Cu atoms, whereas in the former, one of the Cu2O subunits exhibits a higher positive charge. It is found that the divalent oxygen of Cu2O is the reactive site involved in cluster growing. The structures of Cun Om H2 + / 0 and Cu2nOnH+/0, correspond, respectively to hydrated and hydrogenated clusters.

Financial support by Spanish DGI, MEC (BQU2006-15583-CO2-01-PPQ) is acknowledged.

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
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Average
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