分子氧在 N-石墨烯上的吸附作用

IF 0.6 4区材料科学 Q4 CRYSTALLOGRAPHY

Crystallography Reports Pub Date : 2024-04-16 DOI:10.1134/s1063774523601314

K. A. Bokai, O. Yu. Vilkov, D. Yu. Usachov

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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。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Adsorption of Molecular Oxygen on N-graphene

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Adsorption of Molecular Oxygen on N-graphene

Abstract

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.

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来源期刊

Crystallography Reports 化学-晶体学

CiteScore

1.10

自引率

28.60%

发文量

审稿时长

4-8 weeks

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.