Ag6Cl4: the first silver chloride with rare Ag6 clusters from an ab initio study-Reference-Cited by-同舟云学术

Ag6Cl4: the first silver chloride with rare Ag6 clusters from an ab initio study

Published:2021 Issue:79 Volume:57 Page:10186-10189
ISSN:1359-7345
Container-title:Chemical Communications
language:en
Short-container-title:Chem. Commun.

Author:

Derzsi Mariana¹²^ORCID,Uhliar Matej¹,Tokár Kamil¹³

Affiliation:

1. Advanced Technologies Research Institute, Faculty of Materials Science and Technology in Trnava, Slovak University of Technology in Bratislava, Jána Bottu 8857/25, Trnava 917 24, Slovakia

2. Centre of New Technologies, University of Warsaw, Banacha 2c, 02097 Warsaw, Poland

3. Institute of Physics, Slovak Academy of Sciences, Dúbravská cesta 9, 84511 Bratislava, Slovakia

Abstract

The first diamagnetic semiconducting silver subhalide, Ag6Cl4, containing rare Ag6 clusters and an impressively large insulating bandgap has been predicted employing density functional theory.

Funder

European Regional Development Fund

Agentúra na Podporu Výskumu a Vývoja

Vedecká Grantová Agentúra MŠVVaŠ SR a SAV

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,Metals and Alloys,Surfaces, Coatings and Films,General Chemistry,Ceramics and Composites,Electronic, Optical and Magnetic Materials,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CC/D1CC03426J

Reference40 articles.

1. Homoatomic d10–d10 Interactions: Their Effects on Structure and Chemical and Physical Properties

2. Über die silberteilstrukturen in silberreichen oxiden

3. The Crystal Structures of Ag2PbO2 and Ag5Pb2O6.

4. The bondings in Ag2PbO2 and Ag5Pb2O6

5. Ag5Pb2O6, ein subvalentes oxid

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