Stable anchoring of gold nanoclusters on negatively curved graphene

Abstract

The stability of metal nanoclusters (NCs) on graphene supports is crucial for their applications in catalysis. Here, we report on the preparation of a composite material comprising Au NCs on graphene support with multi-curvature defects through the vapor deposition of porous Au and in situ heating, followed by a preliminary exploration of its structural stability. Transmission electron microscopy revealed dense encapsulation of Au NCs within the spatial folds of the graphene support, with their structure and position remaining stable over 1 min at 800 °C, indicating exceptional structural stability. X-ray photoelectron spectroscopy (XPS) characterization and density-functional theory (DFT) calculations demonstrate that this stabilizing effect is attributed to the unique electronic properties of the graphene surface, particularly its spatial curvature and topology with defects. Graphene surfaces with multi-curvature defects exhibit a stronger anchoring effect toward Au NCs compared to planar graphene. This work provides a theoretical basis for advancing the design and optimization of graphene-supported metal cluster catalysts.

Keywords

• Au nanoclusters
• electronic structure
• negatively curved graphene
• catalysis