DFT+U Study of Molecular and Dissociative Water Adsorptions on the Fe3O4(110) Surface
Author:
Affiliation:
1. State Key laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan, Shanxi 030001, China
2. Leibniz-Institut für Katalyse eV. an der Universität Rostock, Albert-Einstein-Strasse 29a, 18059 Rostock, Germany
Publisher
American Chemical Society (ACS)
Subject
Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials
Link
https://pubs.acs.org/doi/pdf/10.1021/jp400349c
Reference50 articles.
1. The Iron Oxides
2. The renaissance of iron-based Fischer–Tropsch synthesis: on the multifaceted catalyst deactivation behaviour
3. Water Gas Shift Catalysis
4. Removal of Cr(VI) by magnetite
5. Pu(V)O2+ Adsorption and Reduction by Synthetic Magnetite (Fe3O4)
Cited by 44 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. Density Functional Theory (DFT) Simulation of Microsurface Properties of FeO;The Minerals, Metals & Materials Series;2024
2. First-principles study on the corrosion resistance of iron oxide surface and grain boundary in austenitic steel to lead–bismuth eutectic;Applied Surface Science;2023-12
3. Multiple redox mechanisms for water-gas shift reaction on Fe3O4 (1 1 1) surface: A density functional theory and mean-field microkinetic modeling study;Applied Surface Science;2023-09
4. Surface morphology of Fe3C catalyst under different CO coverage from DFT and thermodynamics;Computational and Theoretical Chemistry;2023-08
5. Role of BaTiO3 crystal surfaces on the electronic properties, charge separation and visible light–response of the most active (001) surface of LaAlO3: A hybrid density functional study;Chemical Physics Impact;2023-06
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