Work

Electronic and geometric effects in an Au@NiO core–shell nanocatalyst on the oxidative esterification of aldehydes

Year: 2024

Type: article

Abstract: Density functional theory and microkinetic modeling show that an Au@NiO core–shell nanostructure enhances the oxidative esterification of aldehydes by electron transfer from NiO to Au, stabilizing intermediates and lowering activation energies.

Source: Nanoscale

DOI: 10.1039/d4nr03302g

Authors: Shaoqi Zhan, Haohong Song, Zili Wu, De-en Jiang

Institutions: Uppsala University, Vanderbilt University, Oak Ridge National Laboratory, Center for Nanophase Materials Sciences

Language: English

Topic: Catalytic Processes in Materials Science

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: hybrid

Funders: U.S. Department of Energy, Office of Science, Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division