Engineering Hydroxyl Functionalization Enables Atomically Precise ZnO Nucleation on Defective Graphene.

ABSTRACT: The synergy between graphene and ZnO in creating hybrid nanomaterials with novel properties of interest for the technological industry requires the development of processes and techniques that enable their precise production at the nanoscale. Therefore, understanding the atomic and molecular mechanisms that lead to their creation is imperative for controlling each involved step in their formation, enhancing their efficiency. This work sheds light on the first atomic layer half-cycle for the growth of ZnO on graphene with a hydroxyl-functionalized monovacancy. We performed quantum mechanical calculations, considering a trapping-mediated mechanism and diethylzinc (DEZ) as the precursor. The results suggest that neighboring hydroxyl groups facilitate DEZ adsorption and minimize the activation

SUBMITTER: Sandoval G 

PROVIDER: S-EPMC12616442 | biostudies-literature | 2025 Nov

REPOSITORIES: biostudies-literature