Physical chemistry chemical physics : PCCP
Room temperature dynamics of atomic clusters adsorbed on graphene: a machine-learning force field molecular dynamics study.
Ramasamy Murugesan, Ewald Janssens, Joris Van de Vondel, Michel Houssa
Published: 202610.1039/d5cp03493k
Abstract
Clusters adsorbed on graphene can alter the electronic and spin-based properties of this two-dimensional material by proximity interactions. However, at room temperature, the adsorbed clusters tend to move freely over the surface. First-principles mo…
Preview only. Read the full abstract at the source