Reactivity of Ts and At oxides and oxyhydrides with a gold surface from periodic DFT calculations

Author:

Ryzhkov Anton12ORCID,Pershina Valeria3ORCID,Iliaš Miroslav4ORCID,Shabaev Vladimir12ORCID

Affiliation:

1. Department of Physics, St. Petersburg State University, Universitetskaya 7/9, 199034 St. Petersburg, Russia

2. Joint Institute for Nuclear Research, ul. Joliot-Curie 6, 141980 Dubna, Moscow oblast, Russia

3. Helmholtzzentrum für Schwerionenforschung GmbH, Planckstr. 1, D-64291 Darmstadt, Germany

4. Department of Chemistry, Faculty of Natural Sciences, Matej Bel University, Tajovského 40, 97401 Banská Bystrica, Slovakia

Abstract

DFT periodic calculations of adsorption properties of oxides and oxyhydrides of Ts and At on the surface of gold. Strong interaction of the considered species with the surface. Increasing reactivity of the Ts compounds with respect to the At ones.

Funder

Ministry of Science and Higher Education of the Russian Federation

Publisher

Royal Society of Chemistry (RSC)

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