Free energy of proton transfer at the water–TiO2 interface from ab initio deep potential molecular dynamics-Reference-Cited by-同舟云学术

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

Published:2020 Issue:9 Volume:11 Page:2335-2341
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Calegari Andrade Marcos F.¹²³⁴^ORCID,Ko Hsin-Yu¹²³⁴^ORCID,Zhang Linfeng⁵²³⁴,Car Roberto¹²³⁴,Selloni Annabella¹²³⁴^ORCID

Affiliation:

1. Department of Chemistry

2. Princeton University

3. Princeton

4. USA

5. Program in Applied and Computational Mathematics

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.

Funder

Basic Energy Sciences

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2020/SC/C9SC05116C

Reference64 articles.

1. TiO2 photocatalysis and related surface phenomena

2. Photocatalysis on TiO2 Surfaces: Principles, Mechanisms, and Selected Results

3. Understanding TiO2 Photocatalysis: Mechanisms and Materials

4. Electrochemical Photolysis of Water at a Semiconductor Electrode

5. Efficient Photochemical Water Splitting by a Chemically Modified n-TiO 2

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