Formation of Nanoclusters and Nanopillars in Nonequilibrium Surface Growth for Catalysis Applications: Growth by Diffusional Transport of Matter in Solution Synthesis

TL;DR

This paper models the growth of nanoclusters and nanopillars on surfaces via diffusional transport in solution, using kinetic Monte Carlo simulations to predict structures with catalytic activity.

Contribution

It introduces a kinetic Monte Carlo model that incorporates surface restructuring and diffusion-driven growth to predict nanostructure morphologies for catalysis.

Findings

Predicted FCC-symmetry surface features in Pt nanostructures.

Evaluated active site fractions with desirable catalytic properties.

Suggested optimal growth regimes for nanostructure synthesis.

Abstract

Growth of nanoclusters and nanopillars is considered in a model of surface deposition of building blocks (atoms) diffusionally transported from solution to the forming surface structure. Processes of surface restructuring are also accounted for in the model, which then yields morphologies of interest in catalysis applications. Kinetic Monte Carlo numerical approach is utilized to explore the emergence of FCC-symmetry surface features in Pt-type metal nanostructures. Available results exemplify evaluation of the fraction of the resulting active sites with desirable properties for catalysis, such as (111)-like coordination, as well as suggest optimal growth regimes.