{"title":"分子氧在 N-石墨烯上的吸附作用","authors":"K. A. Bokai, O. Yu. Vilkov, D. Yu. Usachov","doi":"10.1134/S1063774523601314","DOIUrl":null,"url":null,"abstract":"<p>The adsorption and dissociation of molecular oxygen on the surface of N-graphene/Au/Ni(111) epitaxial system with high crystalline quality of N-graphene have been investigated. The system is formed in such a way that nitrogen impurities in it are exclusively represented by graphitic and pyridinic configurations in equal concentrations. Using X-ray photoelectron spectroscopy and density functional theory calculations, the relationship between the chemical shift of the N 1<i>s</i> core level caused by the adsorption of molecular oxygen and the atomic position of individual oxygen atoms after molecular dissociation has been established.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"69 1","pages":"102 - 108"},"PeriodicalIF":0.6000,"publicationDate":"2024-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Adsorption of Molecular Oxygen on N-graphene\",\"authors\":\"K. A. Bokai, O. Yu. Vilkov, D. Yu. Usachov\",\"doi\":\"10.1134/S1063774523601314\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>The adsorption and dissociation of molecular oxygen on the surface of N-graphene/Au/Ni(111) epitaxial system with high crystalline quality of N-graphene have been investigated. The system is formed in such a way that nitrogen impurities in it are exclusively represented by graphitic and pyridinic configurations in equal concentrations. Using X-ray photoelectron spectroscopy and density functional theory calculations, the relationship between the chemical shift of the N 1<i>s</i> core level caused by the adsorption of molecular oxygen and the atomic position of individual oxygen atoms after molecular dissociation has been established.</p>\",\"PeriodicalId\":527,\"journal\":{\"name\":\"Crystallography Reports\",\"volume\":\"69 1\",\"pages\":\"102 - 108\"},\"PeriodicalIF\":0.6000,\"publicationDate\":\"2024-04-16\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Crystallography Reports\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://link.springer.com/article/10.1134/S1063774523601314\",\"RegionNum\":4,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CRYSTALLOGRAPHY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Crystallography Reports","FirstCategoryId":"88","ListUrlMain":"https://link.springer.com/article/10.1134/S1063774523601314","RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
引用次数: 0
摘要
摘要 研究了分子氧在具有高结晶质量的氮石墨烯/金/氮（111）外延体系表面的吸附和解离情况。该体系的形成过程中，氮杂质完全以等浓度的石墨和吡啶构型存在。利用 X 射线光电子能谱和密度泛函理论计算，确定了分子氧吸附引起的 N 1s 核心电平化学位移与分子解离后单个氧原子的原子位置之间的关系。
The adsorption and dissociation of molecular oxygen on the surface of N-graphene/Au/Ni(111) epitaxial system with high crystalline quality of N-graphene have been investigated. The system is formed in such a way that nitrogen impurities in it are exclusively represented by graphitic and pyridinic configurations in equal concentrations. Using X-ray photoelectron spectroscopy and density functional theory calculations, the relationship between the chemical shift of the N 1s core level caused by the adsorption of molecular oxygen and the atomic position of individual oxygen atoms after molecular dissociation has been established.
期刊介绍：
Crystallography Reports is a journal that publishes original articles short communications, and reviews on various aspects of crystallography: diffraction and scattering of X-rays, electrons, and neutrons, determination of crystal structure of inorganic and organic substances, including proteins and other biological substances; UV-VIS and IR spectroscopy; growth, imperfect structure and physical properties of crystals; thin films, liquid crystals, nanomaterials, partially disordered systems, and the methods of studies.
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