A First principles study of direct oxidation of aqueous borohydride on Au and Pt surfaces

G. Rostamikia, M. J. Janik

Research output: Chapter in Book/Report/Conference proceedingConference contribution

2 Scopus citations

Abstract

Direct Borohydride Fuel Cells (DBFCs) have the potential to generate high power densities for use in portable power applications. Despite the potential of DBFCs, current applications are limited in part, by the lack of an effective anode electrocatalyst. Though a number of pure metals and alloys have been tested as anodes, gold and silver electrodes are uniquely capable of completing direct oxidation at near 100% coulombic efficiency. Overpotentials on Au anodes, however, limit the overall cell efficiency and little is known of the elementary electrocatalytic mechanisms, reaction intermediates, or limiting elementary steps. In this study, we apply density functional theory (DFT) calculations to examine borohydride electro-oxidation over the Au(111), and compare with Pt(111) surfaces for which nonselective hydrolysis paths compete with direct oxidation. Possible stable surface intermediates and limiting elementary steps are identified and results are discussed in comparison with experimental data from the literature.

Original languageEnglish (US)
Title of host publicationECS Transactions - Proton Exchange Membrane Fuel Cells 8
Pages1869-1876
Number of pages8
Edition2 PART 2
DOIs
StatePublished - Dec 1 2008
EventProton Exchange Membrane Fuel Cells 8, PEMFC - 214th ECS Meeting - Honolulu, HI, United States
Duration: Oct 12 2008Oct 17 2008

Publication series

NameECS Transactions
Number2 PART 2
Volume16
ISSN (Print)1938-5862
ISSN (Electronic)1938-6737

Other

OtherProton Exchange Membrane Fuel Cells 8, PEMFC - 214th ECS Meeting
CountryUnited States
CityHonolulu, HI
Period10/12/0810/17/08

All Science Journal Classification (ASJC) codes

  • Engineering(all)

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    Rostamikia, G., & Janik, M. J. (2008). A First principles study of direct oxidation of aqueous borohydride on Au and Pt surfaces. In ECS Transactions - Proton Exchange Membrane Fuel Cells 8 (2 PART 2 ed., pp. 1869-1876). (ECS Transactions; Vol. 16, No. 2 PART 2). https://doi.org/10.1149/1.2982027