The effect of sulfur doping on the ZrTiO 4 (111) surface toward the CO 2 RR to chemically valuable products: a density functional theory study

Physical Chemistry Chemical Physics 2026

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Authors: Saifuddin Aziz, Lala Adetia Marlina, Wafa’ Dzofari Hilmy, Nadia Putri Salsa Bila, Patrik Chandra, Karna Wijaya, Aulia Sukma Hutama
DOI: 10.1039/d5cp02096d
Cited by: 1
References: 53

Abstract

CO 2 RR mechanisms were observed for ZrTiO 4 and S-doped ZrTiO 4 . On ZrTiO 4 , CO 2 → CH 3 OH is energetically favorable, while CO 2 → CH 4 is both energetically and kinetically favorable.

Fields of Study & Subjects

Advanced Photocatalysis Techniques TiO2 Photocatalysis and Solar Cells Machine Learning in Materials Science

Publication details

Journal / source
Physical Chemistry Chemical Physics
Publisher
Royal Society of Chemistry (RSC)
Volume
28
Issue
8
Pages
5455–5467
Publication date
1 January 2026
Language
EN