Hydrogenase-based nanomaterials as anode electrode catalyst in polymer electrolyte fuel cells
College
College of Science
Department/Unit
Physics
Document Type
Article
Source Title
Solid State Communications
Volume
133
Issue
9
First Page
589
Last Page
591
Publication Date
3-1-2005
Abstract
We consider hydrogenase-based nanomaterials for possible use as anode electrode catalysts in polymer electrolyte fuel cells (PEFCs). We choose Fe-only hydrogenase component of Desulfovibrio desulfuricans (DdHase) as a hydrogenase complex, and investigate its catalytic activity for H2 dissociation using ab initio calculations based on density functional theory (DFT). We found two possible H-H bond cleavage pathways, which are heterolytic and possess low activation barriers. Moreover, the H2 dissociation can be promoted by inducing spin polarization of the H2 adduct. We report that hydrogenase or hydrogenase-based nanomaterials can manipulate to exhibit the catalytic activity equivalent to the well-known platinum catalyst. © 2004 Elsevier Ltd. All rights reserved.
html
Digitial Object Identifier (DOI)
10.1016/j.ssc.2004.12.025
Recommended Citation
Tsuda, M., Diño, W. A., & Kasai, H. (2005). Hydrogenase-based nanomaterials as anode electrode catalyst in polymer electrolyte fuel cells. Solid State Communications, 133 (9), 589-591. https://doi.org/10.1016/j.ssc.2004.12.025
Disciplines
Physics
Keywords
Proton exchange membrane fuel cells; Nanostructured materials; Anodes
Upload File
wf_yes
