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Updated: Jan 11, 2026

Preparation of ZnO Nanorod/Graphene/ZnO Nanorod Epitaxial Double Heterostructure for Piezoelectrical Nanogenerator by Using Preheating Hydrothermal
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Engineering Hydroxyl Functionalization Enables Atomically Precise ZnO Nucleation on Defective Graphene.

Gaddiel Sandoval1, Carlos Antonio Corona-Garcia2, Jonathan Efrain Rodriguez Hueso2,3

  • 1Facultad de Ingeniería, Arquitectura y Diseño, Universidad Autónoma de Baja California, 22860 Ensenada, Baja California , México.

ACS Materials Au
|November 17, 2025
PubMed
Summary
This summary is machine-generated.

Graphene functionalization with hydroxyl groups enhances zinc oxide (ZnO) growth. Quantum mechanical calculations show hydroxyl groups facilitate precursor adsorption and lower energy barriers, boosting ZnO formation on graphene.

Keywords:
ZnOatomic layer depositiondensity functional theorydiethylzincgraphenehydroxyl functionalizationmonovacancy

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Area of Science:

  • Materials Science
  • Nanotechnology
  • Surface Chemistry

Background:

  • Graphene-ZnO hybrid nanomaterials offer novel properties for technological applications.
  • Precise nanoscale production requires understanding atomic and molecular growth mechanisms.
  • Controlling formation steps enhances hybrid nanomaterial efficiency.

Purpose of the Study:

  • Investigate the initial atomic layer growth of ZnO on graphene.
  • Elucidate the role of hydroxyl functionalization on graphene during ZnO deposition.
  • Understand the atomic and molecular mechanisms governing ZnO nucleation on graphene.

Main Methods:

  • Quantum mechanical calculations were employed.
  • A trapping-mediated mechanism was considered.
  • Diethylzinc (DEZ) was used as the precursor for ZnO growth.

Main Results:

  • Hydroxyl groups on graphene facilitate diethylzinc (DEZ) adsorption.
  • Neighboring hydroxyl groups minimize the activation energy for ZnO growth.
  • Increased numbers of hydroxyl groups enhance thermodynamic and kinetic favorability.
  • Noncovalent interactions (van der Waals, C-H···O, O-H···O hydrogen bonds) stabilize the system.

Conclusions:

  • Hydroxyl functionalization of graphene significantly impacts the initial ZnO growth rate.
  • Pretreatment of graphene with hydroxyl groups can accelerate ZnO nucleation.
  • This understanding is crucial for controlled synthesis of graphene-ZnO nanomaterials.