{"title":"4,4′-联吡啶分子在石墨烯表面增强拉曼散射的理论与实验研究","authors":"Yong Ma, Sheng-Yu Wang, Zhen Li, Wei Hu, Shouzhen Jiang, Xiu-Neng Song, Chuan-Kui Wang","doi":"10.4208/jams.112317.122817a","DOIUrl":null,"url":null,"abstract":"In present work, we investigated the surface-enhanced raman scattering(SERS) of 4,4’-bipyridine on Graphene surface with a quasi-analytical approach based on density functional perturbation theory(DFPT). Three different configurations were considered to simulate the adsorption structures on the Graphene surface. The interaction between 4,4’-bipyridine molecule and Graphene surface depends on the adsorption structure, which also results in the distinct spectroscopy. The relationship between the configurations and SERS spectroscopy were interpreted. We also performed the experimental SERS spectroscopy of 4,4’bipyridine molecule on Graphene. Comparing with the experimental SERS spectroscopy, the landscape of 4,4’-bipyridine on Graphene has been revealed.","PeriodicalId":15131,"journal":{"name":"Journal of Atomic and Molecular Sciences","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2018-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"3","resultStr":"{\"title\":\"Theoretical and experimental study of surface-enhanced raman scattering of 4,4'-bipyridine molecule on graphene\",\"authors\":\"Yong Ma, Sheng-Yu Wang, Zhen Li, Wei Hu, Shouzhen Jiang, Xiu-Neng Song, Chuan-Kui Wang\",\"doi\":\"10.4208/jams.112317.122817a\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"In present work, we investigated the surface-enhanced raman scattering(SERS) of 4,4’-bipyridine on Graphene surface with a quasi-analytical approach based on density functional perturbation theory(DFPT). Three different configurations were considered to simulate the adsorption structures on the Graphene surface. The interaction between 4,4’-bipyridine molecule and Graphene surface depends on the adsorption structure, which also results in the distinct spectroscopy. The relationship between the configurations and SERS spectroscopy were interpreted. We also performed the experimental SERS spectroscopy of 4,4’bipyridine molecule on Graphene. Comparing with the experimental SERS spectroscopy, the landscape of 4,4’-bipyridine on Graphene has been revealed.\",\"PeriodicalId\":15131,\"journal\":{\"name\":\"Journal of Atomic and Molecular Sciences\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2018-02-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"3\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Atomic and Molecular Sciences\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.4208/jams.112317.122817a\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Atomic and Molecular Sciences","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.4208/jams.112317.122817a","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Theoretical and experimental study of surface-enhanced raman scattering of 4,4'-bipyridine molecule on graphene
In present work, we investigated the surface-enhanced raman scattering(SERS) of 4,4’-bipyridine on Graphene surface with a quasi-analytical approach based on density functional perturbation theory(DFPT). Three different configurations were considered to simulate the adsorption structures on the Graphene surface. The interaction between 4,4’-bipyridine molecule and Graphene surface depends on the adsorption structure, which also results in the distinct spectroscopy. The relationship between the configurations and SERS spectroscopy were interpreted. We also performed the experimental SERS spectroscopy of 4,4’bipyridine molecule on Graphene. Comparing with the experimental SERS spectroscopy, the landscape of 4,4’-bipyridine on Graphene has been revealed.
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