Hydrogenation of HOPG-supported Gold Nanoparticles: Features of Initial Stages

Andrey K Gatin,Sergey Yu Sarvadii,Maxim V Grishin,Nadezhda V Dokhlikova,Boris R Shub

doi:10.3390/cryst9070350

Abstract

The features of deuterium adsorption on the surface of gold nanoparticles deposited on highly oriented pyrolytic graphite (HOPG) were determined. The results showed that deuterium adsorption on gold nanoparticles takes place at room temperature. The results also showed that the filling of the nanoparticles’ surfaces with the adsorbate occurs from the graphite–gold interface until the entire surface is covered by deuterium. The results of quantum chemical simulations are used to explain the experimental data. A simple model of the observed effects is proposed.

Highlights

Many modern catalysts are composed of nanomaterials
This work includes scanning tunneling microscopy (STM) experiments on molecular deuterium interaction with the surface of gold nanoparticles, and quantum chemical simulation of atomic deuterium adsorption onto the gold cluster in contact with two graphene nanocells modeling the edge of the highly oriented pyrolytic graphite (HOPG) terrace
We consider the causes of hydrogen dissociative adsorption on the surface of gold nanoparticles and the influence of hydrogen chemisorption on the STM tunneling spectra

Summary

Introduction

Many modern catalysts are composed of nanomaterials. In particular, gold nanoparticles are used to catalyze the low-temperature oxidation of CO [1] and selective oxidative coupling of methanol to methyl formate [2]. Gold nanoparticles are used as catalysts for selective isomerization of epoxides to allylic alcohols [3], benzylation of aromatics [4], and production of vinyl chloride and vinyl acetate monomers [5], among other substances. Gold nanoparticles are used in catalytic reactions of alkene hydrogenation [6], in the chemoselective hydrogenation of crotonaldehyde to crotyl alcohol [7], in the chemoselective hydrogenation of nitro compounds [8], and in the heterogeneous hydroformylation of olefins [9]. Catalysts based on gold nanoparticles are used in hydrogenation reactions assisted by hydrogen transfer, including the reduction of carbonyl compounds [10,11] and the hydrochlorination of amines [12] and alkynes [13]. TEM and XRD, direct synthesis of water from O2 and

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