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Title: Tuning electrocatalytic activity of Pt monolayer shell by bimetallic Ir-M (M=Fe, Co, Ni or Cu) cores for the oxygen reduction reaction

Here, platinum monolayer electrocatalyst are known to exhibit excellent oxygen reduction reaction (ORR) activity depending on the type of substrate used. Here we demonstrate a relationship between the ORR electrocatalytic activity and the surface electronic structure of Pt monolayer shell induced by various IrM bimetallic cores (M=Fe, Co, Ni or Cu). The relationship is rationalized by comparing density functional theory calculations and experimental results. For an efficient Pt monolayer electrocatalyst, the core should induce sufficient contraction to the Pt shell leading to a downshift of the d-band center with respect to the Fermi level. Depending on the structure of the IrM, relative to that of pure Ir, this interaction not only alters the electronic and geometric structure but also induces segregation effects. Combined these effects significantly enhance the ORR activities of the Pt monolayer shell on bimetallic Ir cores electrocatalysts.
Authors:
 [1] ;  [2] ;  [1] ;  [1] ;  [3] ;  [3] ;  [3] ;  [3] ;  [1]
  1. Brookhaven National Lab. (BNL), Upton, NY (United States)
  2. SABIC Technology Center, Riyadh (Saudi Arabia)
  3. Korea Institute of Energy Research, Daejeon (Korea)
Publication Date:
Report Number(s):
BNL-113589-2017-JA
Journal ID: ISSN 2211-2855; R&D Project: MA510MAEA; KC0203010
Grant/Contract Number:
SC00112704; SC0012704
Type:
Accepted Manuscript
Journal Name:
Nano Energy
Additional Journal Information:
Journal Volume: 29; Journal Issue: C; Journal ID: ISSN 2211-2855
Publisher:
Elsevier
Research Org:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; fuel cells; electrocatalysis; density function theory; core-shell catalyst; Pt monolayer; oxygen reduction reaction
OSTI Identifier:
1346747
Alternate Identifier(s):
OSTI ID: 1397982

Kuttiyiel, Kurian A., Choi, YongMan, Sasaki, Kotaro, Su, Dong, Hwang, Sun -Mi, Yim, Sung -Dae, Yang, Tae -Hyun, Park, Gu -Gon, and Adzic, Radoslav R.. Tuning electrocatalytic activity of Pt monolayer shell by bimetallic Ir-M (M=Fe, Co, Ni or Cu) cores for the oxygen reduction reaction. United States: N. p., Web. doi:10.1016/j.nanoen.2016.05.024.
Kuttiyiel, Kurian A., Choi, YongMan, Sasaki, Kotaro, Su, Dong, Hwang, Sun -Mi, Yim, Sung -Dae, Yang, Tae -Hyun, Park, Gu -Gon, & Adzic, Radoslav R.. Tuning electrocatalytic activity of Pt monolayer shell by bimetallic Ir-M (M=Fe, Co, Ni or Cu) cores for the oxygen reduction reaction. United States. doi:10.1016/j.nanoen.2016.05.024.
Kuttiyiel, Kurian A., Choi, YongMan, Sasaki, Kotaro, Su, Dong, Hwang, Sun -Mi, Yim, Sung -Dae, Yang, Tae -Hyun, Park, Gu -Gon, and Adzic, Radoslav R.. 2016. "Tuning electrocatalytic activity of Pt monolayer shell by bimetallic Ir-M (M=Fe, Co, Ni or Cu) cores for the oxygen reduction reaction". United States. doi:10.1016/j.nanoen.2016.05.024. https://www.osti.gov/servlets/purl/1346747.
@article{osti_1346747,
title = {Tuning electrocatalytic activity of Pt monolayer shell by bimetallic Ir-M (M=Fe, Co, Ni or Cu) cores for the oxygen reduction reaction},
author = {Kuttiyiel, Kurian A. and Choi, YongMan and Sasaki, Kotaro and Su, Dong and Hwang, Sun -Mi and Yim, Sung -Dae and Yang, Tae -Hyun and Park, Gu -Gon and Adzic, Radoslav R.},
abstractNote = {Here, platinum monolayer electrocatalyst are known to exhibit excellent oxygen reduction reaction (ORR) activity depending on the type of substrate used. Here we demonstrate a relationship between the ORR electrocatalytic activity and the surface electronic structure of Pt monolayer shell induced by various IrM bimetallic cores (M=Fe, Co, Ni or Cu). The relationship is rationalized by comparing density functional theory calculations and experimental results. For an efficient Pt monolayer electrocatalyst, the core should induce sufficient contraction to the Pt shell leading to a downshift of the d-band center with respect to the Fermi level. Depending on the structure of the IrM, relative to that of pure Ir, this interaction not only alters the electronic and geometric structure but also induces segregation effects. Combined these effects significantly enhance the ORR activities of the Pt monolayer shell on bimetallic Ir cores electrocatalysts.},
doi = {10.1016/j.nanoen.2016.05.024},
journal = {Nano Energy},
number = C,
volume = 29,
place = {United States},
year = {2016},
month = {5}
}