Determination of graphene's edge energy using hexagonal graphene quantum dots and PM7 method

AV Vorontsov, EV Tretyakov - Physical Chemistry Chemical Physics, 2018 - pubs.rsc.org
Graphene quantum dots (GQDs) are important for a variety of applications and designs, and
the shapes of GQDs rely on the energy of their boundaries. Presently, many methods have …

Interaction between Graphene-Based Materials and Small Ag, Cu, and CuO Clusters: A Molecular Dynamics Study

I Lado-Touriño, A Páez-Pavón - Nanomaterials, 2021 - mdpi.com
The excessive use of antibiotics has contributed to the rise in antibiotic-resistant bacteria,
and thus, new antibacterial compounds must be developed. Composite materials based on …