Quantum-chemical studies of the interaction of partially oxidized graphene-like planes with each other
Фізика і хімія твердого тіла(2023)
Abstract
Using the methods of quantum chemistry, the energy effects of the interaction of partially oxidized graphene-like planes with each other and the effect on this characteristic of the nature of the functional groups present in the oxidized graphene-like planes, as well as the dimensions of the graphene-like planes themselves, were clarified. It was established that the reaction between the hydroxyl and aldehyde groups of two interacting graphene-like planes is the most thermodynamically probable, regardless of the dimensions of the graphene-like planes. The reaction between two carboxyl groups of different graphene-like planes is the least thermodynamically probable. To create nanocomposites by interacting graphene-like planes with each other, it is necessary that the graphene-like planes contain hydroxyl and aldehyde groups.
MoreTranslated text
Key words
quantum-chemical,graphene-like
AI Read Science
Must-Reading Tree
Example
Generate MRT to find the research sequence of this paper
Chat Paper
Summary is being generated by the instructions you defined