Search
Now showing items 1-1 of 1
Computational studies of gases adsorbed on graphene-like materials
(University of Missouri--Columbia, 2022)
Functional Theory. We observe a monotonic increase of the interlayer spacing consistent with experiments only for a model of benzene-1,4-diboronic acid (DBA) molecules bonded covalently to graphene on both sides of the pore at random orientations...