Conversion of La<sub>2</sub>Ti<sub>2</sub>O<sub>7</sub> to LaTiO<sub>2</sub>N <i>via</i> ammonolysis: a first-principles investigation-Reference-Cited by-同舟云学术

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Conversion of La₂Ti₂O₇ to LaTiO₂N via ammonolysis: a first-principles investigation

Published:2023 Issue:30 Volume:25 Page:20575-20584
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Ricca Chiara¹²,Blandenier Tristan¹,Werner Valérie³^ORCID,Wang Xing¹,Pokrant Simone³^ORCID,Aschauer Ulrich¹²³^ORCID

Affiliation:

1. Department of Chemistry and Biochemistry, University of Bern, Freiestrasse 3, CH-3012 Bern, Switzerland

2. National Centre for Computational Design and Discovery of Novel Materials (MARVEL), 1015 Lausanne, Switzerland

3. Department of Chemistry and Physics of Materials, University of Salzburg, Jakob-Haringer-Str. 2A, A-5020 Salzburg, Austria

Abstract

Density functional theory shows oxynitride synthesis by thermal ammonolysis to be strongly affected by defects in the oxide precursor.

Funder

Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung

National Center of Competence in Research Materials’ Revolution: Computational Design and Discovery of Novel Materials

University of Bern

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP02159A

Reference52 articles.

1. Perovskite-related oxynitrides – Recent developments in synthesis, characterisation and investigations of physical properties

2. Chemistry and applications of oxynitride perovskites

3. Optical Properties of (Oxy)Nitride Materials: A Review

4. Perovskite Oxide Based Electrodes for High‐Performance Photoelectrochemical Water Splitting

5. New cubic perovskites for one- and two-photon water splitting using the computational materials repository

Cited by 2 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Morphological design of LaTiO2N particles by topotactic growth mechanisms for photocatalytic applications;Progress in Solid State Chemistry;2024-03

2. Unleashing Photocarrier Transport in Mesoporous Single‐Crystalline LaTiO₂N for High‐Efficiency Photocatalytic Water Splitting;Advanced Energy Materials;2023-12-26

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