Effect of anion reorientation on proton mobility in the solid acids family CsHyXO4(X = S, P, Se,y= 1, 2) fromab initiomolecular dynamics simulations-Reference-Cited by-同舟云学术

Effect of anion reorientation on proton mobility in the solid acids family CsHyXO4(X = S, P, Se,y= 1, 2) fromab initiomolecular dynamics simulations

Published:2020 Issue:19 Volume:22 Page:10738-10752
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Dreßler Christian¹²³⁴^ORCID,Sebastiani Daniel¹²³⁴^ORCID

Affiliation:

1. Institute of Chemistry

2. Martin Luther University Halle-Wittenberg

3. 06120 Halle (Saale)

4. Germany

Abstract

The high temperature phases of the solid acids CsHSeO₄, CsHSO₄and CsH₂PO₄show extraordinary high proton conductivities, which are enabled by the interplay of high proton transfer rates and frequent anion reorientation.

Funder

Deutsche Forschungsgemeinschaft

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/C9CP06473G

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