Issue 69, 2013

Understanding the topography effects on competitive adsorption on a nanosized anatase crystal: a molecular dynamics study

Abstract

Using Molecular Mechanics and Molecular Dynamics methods, we investigated at the atomistic level the topography effects both on physisorption on different crystalline planes of TiO2 anatase and on the competitive adsorption when three different crystallographic faces were simultaneously present in an idealized nanosized crystal interacting with a simple heteroaromatic molecule experimentally used in sunlight-induced photosynthetic reaction.

Graphical abstract: Understanding the topography effects on competitive adsorption on a nanosized anatase crystal: a molecular dynamics study

Supplementary files

Article information

Article type
Communication
Submitted
09 May 2013
Accepted
18 Jun 2013
First published
19 Jun 2013

Chem. Commun., 2013,49, 7581-7583

Understanding the topography effects on competitive adsorption on a nanosized anatase crystal: a molecular dynamics study

G. Raffaini, L. Melone and C. Punta, Chem. Commun., 2013, 49, 7581 DOI: 10.1039/C3CC43462A

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