Theoretical study of the adsorption of methyl formate on the MgO (100) surface

A density functional theory study was performed to understand the interactions of the methyl formate molecule with the MgO (100) surface. In this context, the adsorption mechanisms of the molecule were investigated, with a focus on its stability on the substrate, the geometric structure of the syste...

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Bibliographic Details

Published in:	Applied Surface Science Advances
Main Authors:	R.E. Ambrusi, J. Juan, J.M. Marchetti
Format:	Article
Language:	English
Published:	Elsevier 2025-08-01
Subjects:	MgO Methyl formate DFT Catalysis Adsorption
Online Access:	http://www.sciencedirect.com/science/article/pii/S2666523925001023