An investigation of the adsorption properties of water on binary AlSi clusters

The potential of doped aluminium clusters as catalysts for the water splitting reaction has attracted considerable scientific effort, however, the water-cluster interactions, which are a key step in the overall mechanism, are not fully understood. Here, we report an ab initio investigation of water...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2020-11, Vol.22 (42), p.24669-24676
Hauptverfasser:	Gomes, Alexandre C. R, de Souza, Tiago M, Da Silva, Juarez L. F, Galvão, Breno R. L
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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