Published in

Royal Society of Chemistry, Chemical Science, 9(11), p. 2335-2341, 2020

DOI: 10.1039/c9sc05116c

Links

Tools

Export citation

Search in Google Scholar

Free energy of proton transfer at the water–TiO2 interface from ab initio deep potential molecular dynamics

Journal article published in 2020 by Marcos F. Calegari Andrade ORCID, Hsin-Yu Ko ORCID, Linfeng Zhang, Roberto Car, Annabella Selloni ORCID
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

Full text: Download

Red circle
Preprint: archiving forbidden
Green circle
Postprint: archiving allowed
Upload
Green circle
Published version: archiving allowed
Upload
Policy details
Data provided by SHERPA/RoMEO

Abstract

TiO2 is a widely used photocatalyst in science and technology and its interface with water is important in fields ranging from geochemistry to biomedicine.