Adsorption of water and ethanol on noble and transition-metal substrates: a density functional investigation within van der Waals corrections-Reference-Cited by-同舟云学术

Adsorption of water and ethanol on noble and transition-metal substrates: a density functional investigation within van der Waals corrections

Published:2016 Issue:42 Volume:18 Page:29526-29536
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Freire Rafael L. H.¹²³⁴,Kiejna Adam⁵⁶⁷⁸,Da Silva Juarez L. F.⁹²³⁴

Affiliation:

1. São Carlos Institute of Physics

2. University of São Paulo

3. São Carlos

4. Brazil

5. Institute of Experimental Physics

6. University of Wrocław

7. PL-50-204 Wrocław

8. Poland

9. São Carlos Institute of Chemistry

Abstract

We report an extensive density functional theory investigation of water and ethanol adsorption on several Cu-, Pt-, and Au-based substrates including substrates with low-coordinated sites due to intermixing of Pt–Cu and Pt–Au in the topmost surface.

Funder

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP05620B

Reference64 articles.

1. A review on reforming bio-ethanol for hydrogen production

2. Production of Hydrogen from Ethanol: Review of Reaction Mechanism and Catalyst Deactivation

3. Hydrogen from hydrocarbon fuels for fuel cells