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245	1	0	_aIr catalysts: Preventing CH3COOH formation in ethanol oxidation
490	0		_vChemical Physics Letters, 688, p.92-97, 2017
520	3		_aCurrent catalysts used for ethanol oxidation reaction (EOR)cannot effectively prevent CH3COOH formation, and thus become a major hindrance for direct ethanol fuel cell applications. We report an Ir catalyst that shows great promise for a complete EOR based on density functional theory calculations using PBE functional. The reaction barrier on Ir(1 0 0)was found to be 2.10 eV for CH3COOH formation, which is much higher than currently used Pd and Pt, and 0.57 eV for C C bond cleavage in CHCO species, which are comparable to Pd and Pt. The result suggests future directions for studying optimal complete EOR catalysts.
700	1	2	_aMiao, B.
700	1	2	_aWu, Z.
700	1	2	_aXu, H.
700	1	2	_aZhang, M.
700	1	2	_aChen, Y.
700	1	2	_aWang, L.
856	4	0	_uhttps://drive.google.com/file/d/1hG8mmz6UkBBIRNDtXnzGmWaUwwJ252t_/view?usp=drivesdk _zPara ver el documento ingresa a Google con tu cuenta: @cicy.edu.mx
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