Transition metal alloying effect on the phosphoric acid adsorptionstrength of Pt nanoparticles: an experimental and density functionaltheory study

Collection with item attached
2017
Item details URL
http://open-repository.kisti.re.kr/cube/handle/open_repository/486458.do
DOI
10.1038/s41598-017-06812-w
Title
Transition metal alloying effect on the phosphoric acid adsorptionstrength of Pt nanoparticles: an experimental and density functionaltheory study
Description
This work was supported by the Korean government through the NationalResearch Foundation of Korea (NRF-2015M1A2A2056554) funded by the MSIPand through the New & Renewable Energy Core Technology Program of theKorea Institute of Energy Technology Evaluation and Planning (KETEP)funded by the MOTIE (No. 20133030011320). This study was alsofinancially supported by the KIST through the Institutional Project.D.H.L acknowledged financial support from Basic Science Research Programthrough the National Research Foundation (NRF) of Korea funded by theMinistry of Education, Science and Technology (2012R1A6A3A04040490).
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.
provenance
Made available in Cube on 2018-09-28T16:08:10Z (GMT). No. of bitstreams: 0
language
English
author
Park, Hee-Young
Lim, Dong-Hee
Yoo, Sung Jong
Kim, Hyoung-Juhn
Henkensmeier, Dirk
Kim, Jin Young
Ham, Hyung Chul
Jang, Jong Hyun
orcid
Yoo, Sung Jong/0000-0003-0238-5971; ham, hyung chul/0000-0003-0850-584X;
Park, Hee-Young/0000-0002-7000-7369
accessioned
2018-09-28T16:08:10Z
available
2018-09-28T16:08:10Z
issued
2017
citation
SCIENTIFIC REPORTS(7)
issn
2045-2322
uri
http://open-repository.kisti.re.kr/cube/handle/open_repository/486458.do
Funder
산업통상자원부
Funding Program
신재생에너지핵심기술개발
Project ID
1415142630
Jurisdiction
Rep.of Korea
Project Name
자동차용 연료전지 가격 저감을 위한 비백금 촉매 원천기술 개발
rights
openAccess
type
article


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