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Transition metal alloying effect on the phosphoric acid adsorption strength of Pt nanoparticles: an experimental and density functional theory study

The effect of alloying with transition metals (Ni, Co, Fe) on the adsorption strength of phosphoric acid on Pt alloy surfaces was investigated using electrochemical analysis and first-principles calculations. Cyclic voltammograms of carbon-supported Pt(3)M/C (M = Ni, Co, and Fe) electrocatalysts in...

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Autores principales: Park, Hee-Young, Lim, Dong-Hee, Yoo, Sung Jong, Kim, Hyoung-Juhn, Henkensmeier, Dirk, Kim, Jin Young, Ham, Hyung Chul, Jang, Jong Hyun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5543171/
https://www.ncbi.nlm.nih.gov/pubmed/28775296
http://dx.doi.org/10.1038/s41598-017-06812-w
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author Park, Hee-Young
Lim, Dong-Hee
Yoo, Sung Jong
Kim, Hyoung-Juhn
Henkensmeier, Dirk
Kim, Jin Young
Ham, Hyung Chul
Jang, Jong Hyun
author_facet Park, Hee-Young
Lim, Dong-Hee
Yoo, Sung Jong
Kim, Hyoung-Juhn
Henkensmeier, Dirk
Kim, Jin Young
Ham, Hyung Chul
Jang, Jong Hyun
author_sort Park, Hee-Young
collection PubMed
description The effect of alloying with transition metals (Ni, Co, Fe) on the adsorption strength of phosphoric acid on Pt alloy surfaces was investigated using electrochemical analysis and first-principles calculations. Cyclic voltammograms of carbon-supported Pt(3)M/C (M = Ni, Co, and Fe) electrocatalysts in 0.1 M HClO(4) with and without 0.01 M H(3)PO(4) revealed that the phosphoric acid adsorption charge density near the onset potential on the nanoparticle surfaces was decreased by alloying with transition metals in the order Co, Fe, Ni. First-principles calculations based on density functional theory confirmed that the adsorption strength of phosphoric acid was weakened by alloying with transition metals, in the same order as that observed in the electrochemical analysis. The simulation suggested that the weaker phosphoric acid adsorption can be attributed to a lowered density of states near the Fermi level due to alloying with transition metals.
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spelling pubmed-55431712017-08-07 Transition metal alloying effect on the phosphoric acid adsorption strength of Pt nanoparticles: an experimental and density functional theory study Park, Hee-Young Lim, Dong-Hee Yoo, Sung Jong Kim, Hyoung-Juhn Henkensmeier, Dirk Kim, Jin Young Ham, Hyung Chul Jang, Jong Hyun Sci Rep Article The effect of alloying with transition metals (Ni, Co, Fe) on the adsorption strength of phosphoric acid on Pt alloy surfaces was investigated using electrochemical analysis and first-principles calculations. Cyclic voltammograms of carbon-supported Pt(3)M/C (M = Ni, Co, and Fe) electrocatalysts in 0.1 M HClO(4) with and without 0.01 M H(3)PO(4) revealed that the phosphoric acid adsorption charge density near the onset potential on the nanoparticle surfaces was decreased by alloying with transition metals in the order Co, Fe, Ni. First-principles calculations based on density functional theory confirmed that the adsorption strength of phosphoric acid was weakened by alloying with transition metals, in the same order as that observed in the electrochemical analysis. The simulation suggested that the weaker phosphoric acid adsorption can be attributed to a lowered density of states near the Fermi level due to alloying with transition metals. Nature Publishing Group UK 2017-08-03 /pmc/articles/PMC5543171/ /pubmed/28775296 http://dx.doi.org/10.1038/s41598-017-06812-w Text en © The Author(s) 2017 Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.
spellingShingle Article
Park, Hee-Young
Lim, Dong-Hee
Yoo, Sung Jong
Kim, Hyoung-Juhn
Henkensmeier, Dirk
Kim, Jin Young
Ham, Hyung Chul
Jang, Jong Hyun
Transition metal alloying effect on the phosphoric acid adsorption strength of Pt nanoparticles: an experimental and density functional theory study
title Transition metal alloying effect on the phosphoric acid adsorption strength of Pt nanoparticles: an experimental and density functional theory study
title_full Transition metal alloying effect on the phosphoric acid adsorption strength of Pt nanoparticles: an experimental and density functional theory study
title_fullStr Transition metal alloying effect on the phosphoric acid adsorption strength of Pt nanoparticles: an experimental and density functional theory study
title_full_unstemmed Transition metal alloying effect on the phosphoric acid adsorption strength of Pt nanoparticles: an experimental and density functional theory study
title_short Transition metal alloying effect on the phosphoric acid adsorption strength of Pt nanoparticles: an experimental and density functional theory study
title_sort transition metal alloying effect on the phosphoric acid adsorption strength of pt nanoparticles: an experimental and density functional theory study
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5543171/
https://www.ncbi.nlm.nih.gov/pubmed/28775296
http://dx.doi.org/10.1038/s41598-017-06812-w
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