Simulation of the interaction of NiO with a graphene layer in a NiOx/CNT composite based on XANES Spectroscopy (ФизикА.СПб)

Viktor Dmitriev; Valentina Shmatko; Elena Stebletsova; Igor Ershov; Galina Yalovega

Viktor Dmitriev Southern Federal University
Valentina Shmatko Southern Federal University https://orcid.org/0000-0002-7191-7970
Elena Stebletsova Southern Federal University
Igor Ershov Don State Technical University https://orcid.org/0000-0003-4813-7463
Galina Yalovega Southern Federal University https://orcid.org/0000-0002-0157-6955

Аннотация

The interaction of NiO clusters with a graphene layer of a nanotube in NiOx/CNT composites is simulated based on a theoretical analysis of Ni K-edge XANES spectra. Various cases of orientation of crystallographic planes relative to the nanotube wall are considered. It was determined that Ni in the composite is predominantly in the 2+ state, nickel cations have a distorted octahedral environment, NiO particles are oriented towards the tube wall predominantly by the (200) plane.