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Density functional cluster studies on the (010) surface of vanadium pentoxide

✍ Scribed by A. Michalak; M. Witko; K. Hermann


Book ID
117217006
Publisher
Elsevier Science
Year
1997
Tongue
English
Weight
819 KB
Volume
375
Category
Article
ISSN
0039-6028

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## Abstract NO molecule adsorption on (010) surface of gold selenide (AuSe) has been studied with a periodic slab model by means of the GGA‐PW91 exchange‐correlation functional within the framework of density functional theory (DFT). Four different on‐top adsorption sites Au(1), Au(2), Se(1) and Se