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Electronic changes at the Pt(1 1 1) interface induced by the adsorption of OH species

Paper ID Volume ID Publish Year Pages File Format Full-Text
55004 47036 2013 8 PDF Available
Title
Electronic changes at the Pt(1 1 1) interface induced by the adsorption of OH species
Abstract

We perform a detailed analysis of the modifications in the electronic properties when an OH radical adsorbs on Pt(1 1 1). On the basis of first principle calculations, we provide an overview of the interface at the atomic level at low coverages (1/9 of a monolayer). The electronic factors that govern the adsorption phenomenon are discussed. The interaction of the electronic states involved in the bond formation is investigated. In this context, we examine the charge redistribution and the projected density of states onto the different participating atoms and orbitals. We establish a comprehensive picture which provides a valuable guideline to understand the complicated interplay of the electronic states in the formation of bonds.

Graphical abstractFigure optionsDownload full-size imageDownload high-quality image (256 K)Download as PowerPoint slideHighlights► The interaction of an hydroxyl layer with platinum substrates occurs through a complicated interplay between the different electronic states. ► An interband flow occurs between the 5d and 6sp states of platinum and between the adlayer and the substrate. ► An increase of the platinum work function occurs as a consequence of the dipole caused by the OH layer. ► Our quantitative theory goes beyond the qualitative approach of the d band centres.

Keywords
Hydroxyl; Platinum; Density functional calculations; Density of states; Chemisorption
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Electronic changes at the Pt(1 1 1) interface induced by the adsorption of OH species
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Publisher
Database: Elsevier - ScienceDirect
Journal: Catalysis Today - Volume 202, 15 March 2013, Pages 120–127
Authors
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Subjects
Physical Sciences and Engineering Chemical Engineering Catalysis
Get Full-Text Now
Don't Miss Today's Special Offer
Price was $35.95
You save - $31
Price after discount Only $4.95
100% Money Back Guarantee
Full-text PDF Download
Online Support
Any Questions? feel free to contact us