Designing an active Ta3N5 photocatalyst for H2 and O2 evolution reactions by specific exposed facet engineering: a first-principles study
Author:
Affiliation:
1. KAUST Catalysis Center (KCC)
2. Physical Sciences and Engineering Division (PSE)
3. King Abdullah University of Science and Technology (KAUST)
4. Thuwal 23955-6900
5. Saudi Arabia
Abstract
The effects of native defects and exposed facets on the thermodynamic stability and photocatalytic characteristics of Ta3N5 for water splitting are studied by applying accurate quantum computations on the basis of density functional theory (DFT) with the range-separated hybrid functional (HSE06).
Funder
King Abdullah University of Science and Technology
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/D0CP01394C
Reference60 articles.
1. New Non-Oxide Photocatalysts Designed for Overall Water Splitting under Visible Light
2. Hydrogen Production by Molecular Photocatalysis
3. Heterogeneous photocatalyst materials for water splitting
4. Photocatalytic Water Splitting: Recent Progress and Future Challenges
5. Nano-photocatalytic Materials: Possibilities and Challenges
Cited by 10 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. Role of oxygen vacancies on surface reaction of water oxidation in WO3 studied by density functional theory (DFT) and experiment;Molecular Catalysis;2023-03
2. Physicochemical insights into semiconductor properties of a semitransparent tantalum nitride photoanode for solar water splitting;Physical Chemistry Chemical Physics;2023
3. Enhancement of the Photocatalytic Oxygen Production by Tantalum Nitride Supported Fe Atom Embedded N‐Doped Graphene Oxide †;Chinese Journal of Chemistry;2022-12-14
4. Facet-Engineering of Materials for Photocatalytic Application: Status and Future Prospects;EnergyChem;2022-09
5. Scope and prospect of transition metal-based cocatalysts for visible light-driven photocatalytic hydrogen evolution with graphitic carbon nitride;Coordination Chemistry Reviews;2022-08
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3