负载在 Ce0.875Zr0.125O2 (110) 表面的贵金属(M = Pt、Pd、Ag 和 Au)的一氧化碳和丙烯催化氧化活性

IF 3.8 3区 化学 Q2 CHEMISTRY, PHYSICAL
Catalysts Pub Date : 2023-12-11 DOI:10.3390/catal13121505
Chenxi Zhang, X. Cao, Lili Guo, Zhihao Fang, Di Feng, Xiaomin Sun
{"title":"负载在 Ce0.875Zr0.125O2 (110) 表面的贵金属(M = Pt、Pd、Ag 和 Au)的一氧化碳和丙烯催化氧化活性","authors":"Chenxi Zhang, X. Cao, Lili Guo, Zhihao Fang, Di Feng, Xiaomin Sun","doi":"10.3390/catal13121505","DOIUrl":null,"url":null,"abstract":"With the advances in engine technology, the exhaust gas temperature of automobiles has further reduced, which in turn leads to an increase in the emissions of carbon monoxide (CO) and hydrocarbons (HCs). In order to understand the influence of CeO2-based catalysts loaded with different noble metals on the catalytic oxidation activity of CO and HCs, this study constructed catalyst models of Ce0.875Zr0.125O2 (100) surfaces loaded with Pt, Pd, Ag, and Au. The electronic density and state density structures of the catalysts were analyzed, and the reaction energy barriers for CO oxidation and C3H6 dehydrogenation oxidation on the catalyst surfaces were also calculated. Furthermore, the activity sequences of the catalysts were explored. The results revealed that after loading Pt, Pd, Ag, and Au atoms onto the catalyst surfaces, these noble metal atoms exhibited strong interactions with the catalyst surfaces, and electron transfer occurred between the noble metal atoms and the catalyst surfaces. Loading with noble metals can enhance the catalytic activity of CO oxidation, but it has little effect on the dehydrogenation oxidation of C3H6. Of the different noble metals, loading with Pd exhibits the best catalytic activity for both CO and C3H6 oxidation. This study elucidated the influence of noble metal doping on the catalytic activity of catalysts at the molecular level, providing theoretical guidance for the design of a new generation of green and efficient catalysts.","PeriodicalId":9794,"journal":{"name":"Catalysts","volume":"17 1","pages":""},"PeriodicalIF":3.8000,"publicationDate":"2023-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Carbon Monoxide and Propylene Catalytic Oxidation Activity of Noble Metals (M = Pt, Pd, Ag, and Au) Loaded on the Surface of Ce0.875Zr0.125O2 (110)\",\"authors\":\"Chenxi Zhang, X. Cao, Lili Guo, Zhihao Fang, Di Feng, Xiaomin Sun\",\"doi\":\"10.3390/catal13121505\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"With the advances in engine technology, the exhaust gas temperature of automobiles has further reduced, which in turn leads to an increase in the emissions of carbon monoxide (CO) and hydrocarbons (HCs). In order to understand the influence of CeO2-based catalysts loaded with different noble metals on the catalytic oxidation activity of CO and HCs, this study constructed catalyst models of Ce0.875Zr0.125O2 (100) surfaces loaded with Pt, Pd, Ag, and Au. The electronic density and state density structures of the catalysts were analyzed, and the reaction energy barriers for CO oxidation and C3H6 dehydrogenation oxidation on the catalyst surfaces were also calculated. Furthermore, the activity sequences of the catalysts were explored. The results revealed that after loading Pt, Pd, Ag, and Au atoms onto the catalyst surfaces, these noble metal atoms exhibited strong interactions with the catalyst surfaces, and electron transfer occurred between the noble metal atoms and the catalyst surfaces. Loading with noble metals can enhance the catalytic activity of CO oxidation, but it has little effect on the dehydrogenation oxidation of C3H6. Of the different noble metals, loading with Pd exhibits the best catalytic activity for both CO and C3H6 oxidation. This study elucidated the influence of noble metal doping on the catalytic activity of catalysts at the molecular level, providing theoretical guidance for the design of a new generation of green and efficient catalysts.\",\"PeriodicalId\":9794,\"journal\":{\"name\":\"Catalysts\",\"volume\":\"17 1\",\"pages\":\"\"},\"PeriodicalIF\":3.8000,\"publicationDate\":\"2023-12-11\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Catalysts\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.3390/catal13121505\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Catalysts","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.3390/catal13121505","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0

摘要

随着发动机技术的进步,汽车的废气温度进一步降低,从而导致一氧化碳(CO)和碳氢化合物(hc)的排放量增加。为了了解负载不同贵金属的ceo2基催化剂对CO和hc催化氧化活性的影响,本研究构建了负载Pt、Pd、Ag和Au的Ce0.875Zr0.125O2(100)表面催化剂模型。分析了催化剂的电子密度和态密度结构,计算了催化剂表面CO氧化和C3H6脱氢氧化的反应能垒。此外,还研究了催化剂的活性序列。结果表明,在催化剂表面加载Pt、Pd、Ag和Au原子后,这些贵金属原子与催化剂表面发生了强烈的相互作用,并在贵金属原子与催化剂表面之间发生了电子转移。贵金属负载可以提高CO氧化的催化活性,但对C3H6脱氢氧化的影响不大。在不同的贵金属中,负载Pd对CO和C3H6的氧化都表现出最好的催化活性。本研究在分子水平上阐明了贵金属掺杂对催化剂催化活性的影响,为设计新一代绿色高效催化剂提供理论指导。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Carbon Monoxide and Propylene Catalytic Oxidation Activity of Noble Metals (M = Pt, Pd, Ag, and Au) Loaded on the Surface of Ce0.875Zr0.125O2 (110)
With the advances in engine technology, the exhaust gas temperature of automobiles has further reduced, which in turn leads to an increase in the emissions of carbon monoxide (CO) and hydrocarbons (HCs). In order to understand the influence of CeO2-based catalysts loaded with different noble metals on the catalytic oxidation activity of CO and HCs, this study constructed catalyst models of Ce0.875Zr0.125O2 (100) surfaces loaded with Pt, Pd, Ag, and Au. The electronic density and state density structures of the catalysts were analyzed, and the reaction energy barriers for CO oxidation and C3H6 dehydrogenation oxidation on the catalyst surfaces were also calculated. Furthermore, the activity sequences of the catalysts were explored. The results revealed that after loading Pt, Pd, Ag, and Au atoms onto the catalyst surfaces, these noble metal atoms exhibited strong interactions with the catalyst surfaces, and electron transfer occurred between the noble metal atoms and the catalyst surfaces. Loading with noble metals can enhance the catalytic activity of CO oxidation, but it has little effect on the dehydrogenation oxidation of C3H6. Of the different noble metals, loading with Pd exhibits the best catalytic activity for both CO and C3H6 oxidation. This study elucidated the influence of noble metal doping on the catalytic activity of catalysts at the molecular level, providing theoretical guidance for the design of a new generation of green and efficient catalysts.
求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
Catalysts
Catalysts CHEMISTRY, PHYSICAL-
CiteScore
6.80
自引率
7.70%
发文量
1330
审稿时长
3 months
期刊介绍: Catalysts (ISSN 2073-4344) is an international open access journal of catalysts and catalyzed reactions. Catalysts publishes reviews, regular research papers (articles) and short communications. Our aim is to encourage scientists to publish their experimental and theoretical results in as much detail as possible. Therefore, there is no restriction on the length of the papers. The full experimental details must be provided so that the results can be reproduced.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信