Towards accurate prediction of catalytic activity in IrO2 nanoclusters via first principles-based variable charge force field
Author:
Affiliation:
1. Center for Nanoscale Materials
2. Argonne National Laboratory
3. Lemont
4. USA
5. Computation Institute
6. Chemical Sciences Division
Abstract
DFT-based variable-charge force field (MS-Q) developed to accurately predicted bulk and nanoscale properties of IrO2. Catalytic properties pertaining to oxygen reduction reaction found to depend on the coordination and charge transfer at the IrO2 nanocluster surface.
Funder
U.S. Department of Energy
Publisher
Royal Society of Chemistry (RSC)
Subject
General Materials Science,Renewable Energy, Sustainability and the Environment,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2015/TA/C5TA04678E
Reference88 articles.
1. Preparation of Pb(Zr,Ti)O3thin films on electrodes including IrO2
2. A comparative study on the electrical conduction mechanisms of (Ba0.5Sr0.5)TiO3 thin films on Pt and IrO2 electrodes
3. Characterization of DSA�-type oxygen evolving electrodes: Choice of a coating
4. Improvement of resistive memory switching in NiO using IrO2
5. 5d iridium oxide as a material for spin-current detection
Cited by 61 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. Enhancing the electrocatalytic oxygen evolution performance of iridium oxide in acidic media by inducing a lower valence state using CeO2 support;Applied Surface Science;2024-02
2. Benchmarking Stability of Iridium Oxide in Acidic Media under Oxygen Evolution Conditions: A Review: Part I;Johnson Matthey Technology Review;2024-01-01
3. Modulation of coordination environment on atomically dispersed Ir catalysts for highly-efficient reductive amination;Journal of Catalysis;2023-12
4. Synergic Effects of Surface Chemistry and Applied Potentials on the Kinetics of the Electrocatalytic Oxygen Evolution Reaction in IrO2;ACS Applied Energy Materials;2023-11-20
5. Iron-Doped Monoclinic Strontium Iridate as a Highly Efficient Oxygen Evolution Electrocatalyst in Acidic Media;Nanomaterials;2023-02-22
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