{"title":"Au5金团簇催化CO氧化的机理研究","authors":"S. Saini, J. Yadav, J. Parkash","doi":"10.1063/1.5122634","DOIUrl":null,"url":null,"abstract":"The most studied reaction catalyzed by gold nanostructures is CO oxidation. The majority of the studies report Langmuir-Hinshelwood mechanism for CO oxidation. In this report, we present density functional theory results of CO oxidation catalyzed by Au5 gold nanocluster. Our results suggest that CO oxidation reaction proceeds via both mechanisms; Langmuir-Hinshelwood as well as Eley-Rideal mechanism.The most studied reaction catalyzed by gold nanostructures is CO oxidation. The majority of the studies report Langmuir-Hinshelwood mechanism for CO oxidation. In this report, we present density functional theory results of CO oxidation catalyzed by Au5 gold nanocluster. Our results suggest that CO oxidation reaction proceeds via both mechanisms; Langmuir-Hinshelwood as well as Eley-Rideal mechanism.","PeriodicalId":7262,"journal":{"name":"ADVANCES IN BASIC SCIENCE (ICABS 2019)","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2019-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"2","resultStr":"{\"title\":\"Mechanistic investigation into CO oxidation catalyzed by Au5 gold cluster\",\"authors\":\"S. Saini, J. Yadav, J. Parkash\",\"doi\":\"10.1063/1.5122634\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The most studied reaction catalyzed by gold nanostructures is CO oxidation. The majority of the studies report Langmuir-Hinshelwood mechanism for CO oxidation. In this report, we present density functional theory results of CO oxidation catalyzed by Au5 gold nanocluster. Our results suggest that CO oxidation reaction proceeds via both mechanisms; Langmuir-Hinshelwood as well as Eley-Rideal mechanism.The most studied reaction catalyzed by gold nanostructures is CO oxidation. The majority of the studies report Langmuir-Hinshelwood mechanism for CO oxidation. In this report, we present density functional theory results of CO oxidation catalyzed by Au5 gold nanocluster. Our results suggest that CO oxidation reaction proceeds via both mechanisms; Langmuir-Hinshelwood as well as Eley-Rideal mechanism.\",\"PeriodicalId\":7262,\"journal\":{\"name\":\"ADVANCES IN BASIC SCIENCE (ICABS 2019)\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2019-08-29\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"2\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"ADVANCES IN BASIC SCIENCE (ICABS 2019)\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1063/1.5122634\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"ADVANCES IN BASIC SCIENCE (ICABS 2019)","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1063/1.5122634","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Mechanistic investigation into CO oxidation catalyzed by Au5 gold cluster
The most studied reaction catalyzed by gold nanostructures is CO oxidation. The majority of the studies report Langmuir-Hinshelwood mechanism for CO oxidation. In this report, we present density functional theory results of CO oxidation catalyzed by Au5 gold nanocluster. Our results suggest that CO oxidation reaction proceeds via both mechanisms; Langmuir-Hinshelwood as well as Eley-Rideal mechanism.The most studied reaction catalyzed by gold nanostructures is CO oxidation. The majority of the studies report Langmuir-Hinshelwood mechanism for CO oxidation. In this report, we present density functional theory results of CO oxidation catalyzed by Au5 gold nanocluster. Our results suggest that CO oxidation reaction proceeds via both mechanisms; Langmuir-Hinshelwood as well as Eley-Rideal mechanism.
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