Literature DB >> 24712809

Density functional theory study of adsorption of H2O, H, O, and OH on stepped platinum surfaces.

Manuel J Kolb1, Federico Calle-Vallejo1, Ludo B F Juurlink1, Marc T M Koper1.   

Abstract

We report on density functional theory (DFT)-GGA (generalized gradient approximation) computed adsorption energetics of water and the water-related fragments OH, O, and H on stepped Pt surfaces in the low coverage limit. The Pt(100) step edge as encountered on Pt(533) shows increased binding for all species studied, while the Pt(110) step edge, as found on Pt(553) shows only significantly enhanced binding for O and OH. Comparing these results to ultra high vacuum experiments reveals that DFT can explain the main experimental trends semiquantitatively.

Entities:  

Year:  2014        PMID： 24712809     DOI： 10.1063/1.4869749

Source DB:  PubMed          Journal:  J Chem Phys        ISSN： 0021-9606            Impact factor:   3.488


  7 in total

1.  Electrochemical Stripping of Atomic Oxygen on Single-Crystalline Platinum: Bridging Gas-Phase and Electrochemical Oxidation.

Authors:  Yi-Fan Huang; Marc T M Koper
Journal:  J Phys Chem Lett       Date:  2017-02-27       Impact factor: 6.475

2.  Why conclusions from platinum model surfaces do not necessarily lead to enhanced nanoparticle catalysts for the oxygen reduction reaction.

Authors:  Federico Calle-Vallejo; Marcus D Pohl; David Reinisch; David Loffreda; Philippe Sautet; Aliaksandr S Bandarenka
Journal:  Chem Sci       Date:  2016-12-06       Impact factor: 9.825

3.  Finding Key Factors for Efficient Water and Methanol Activation at Metals, Oxides, MXenes, and Metal/Oxide Interfaces.

Authors:  Hai-Yan Su; Keju Sun; Xiang-Kui Gu; Sha-Sha Wang; Jing Zhu; Wei-Xue Li; Chenghua Sun; Federico Calle-Vallejo
Journal:  ACS Catal       Date:  2022-01-05       Impact factor: 13.084

4.  Investigating the presence of adsorbed species on Pt steps at low potentials.

Authors:  Rubén Rizo; Julia Fernández-Vidal; Laurence J Hardwick; Gary A Attard; Francisco J Vidal-Iglesias; Victor Climent; Enrique Herrero; Juan M Feliu
Journal:  Nat Commun       Date:  2022-05-10       Impact factor: 17.694

5.  First-principles study of the structure of water layers on flat and stepped Pb electrodes.

Authors:  Xiaohang Lin; Ferdinand Evers; Axel Groß
Journal:  Beilstein J Nanotechnol       Date:  2016-04-11       Impact factor: 3.649

6.  Intermediate stages of electrochemical oxidation of single-crystalline platinum revealed by in situ Raman spectroscopy.

Authors:  Yi-Fan Huang; Patricia J Kooyman; Marc T M Koper
Journal:  Nat Commun       Date:  2016-08-12       Impact factor: 14.919

7.  Effect of Step Density and Orientation on the Apparent pH Dependence of Hydrogen and Hydroxide Adsorption on Stepped Platinum Surfaces.

Authors:  Ian T McCrum; Xiaoting Chen; Kathleen A Schwarz; Michael J Janik; Marc T M Koper
Journal:  J Phys Chem C Nanomater Interfaces       Date:  2018-07-03       Impact factor: 4.126
  7 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.