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

Abstract 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 Pt3M/C (M = Ni, Co, and Fe) electrocataly...

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Autores principales:	Hee-Young Park, Dong-Hee Lim, Sung Jong Yoo, Hyoung-Juhn Kim, Dirk Henkensmeier, Jin Young Kim, Hyung Chul Ham, Jong Hyun Jang
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/77c3fb5dbdb3430fb23d72031e9e6ad7
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spelling	oai:doaj.org-article:77c3fb5dbdb3430fb23d72031e9e6ad72021-12-02T12:30:24ZTransition metal alloying effect on the phosphoric acid adsorption strength of Pt nanoparticles: an experimental and density functional theory study10.1038/s41598-017-06812-w2045-2322https://doaj.org/article/77c3fb5dbdb3430fb23d72031e9e6ad72017-08-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-06812-whttps://doaj.org/toc/2045-2322Abstract 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 Pt3M/C (M = Ni, Co, and Fe) electrocatalysts in 0.1 M HClO4 with and without 0.01 M H3PO4 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.Hee-Young ParkDong-Hee LimSung Jong YooHyoung-Juhn KimDirk HenkensmeierJin Young KimHyung Chul HamJong Hyun JangNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-9 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Hee-Young Park Dong-Hee Lim Sung Jong Yoo Hyoung-Juhn Kim Dirk Henkensmeier Jin Young Kim Hyung Chul Ham Jong Hyun Jang Transition metal alloying effect on the phosphoric acid adsorption strength of Pt nanoparticles: an experimental and density functional theory study
description	Abstract 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 Pt3M/C (M = Ni, Co, and Fe) electrocatalysts in 0.1 M HClO4 with and without 0.01 M H3PO4 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.
format	article
author	Hee-Young Park Dong-Hee Lim Sung Jong Yoo Hyoung-Juhn Kim Dirk Henkensmeier Jin Young Kim Hyung Chul Ham Jong Hyun Jang
author_facet	Hee-Young Park Dong-Hee Lim Sung Jong Yoo Hyoung-Juhn Kim Dirk Henkensmeier Jin Young Kim Hyung Chul Ham Jong Hyun Jang
author_sort	Hee-Young Park
title	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_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_sort	transition metal alloying effect on the phosphoric acid adsorption strength of pt nanoparticles: an experimental and density functional theory study
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/77c3fb5dbdb3430fb23d72031e9e6ad7
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Transition metal alloying effect on the phosphoric acid adsorption strength of Pt nanoparticles: an experimental and density functional theory study

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