Session: Electronic Structure Modeling of Heterogeneous Catalysis


COLL		Wednesday, August 22, 2007

9:00 AM-12:20 PM BCEC -- 152, Oral
Electronic Structure Modeling of Heterogeneous Catalysis
Electrochemical Reactions
Organizers:	Nicola Marzari Andrzej Wieckowski
9:00 AM	406	Modeling electrocatalysis Timo Jacob
9:40 AM	407	Nanoscale investigations of electrocatalysts from first principles Jeffrey P Greeley
10:20 AM	408	Challenges in first-principles surface electrochemistry Ismaila Dabo, Nicola Marzari
11:00 AM	409	Density functional theory/continuum model approach to surface electrochemistry Ryosuke Jinnouchi, Alfred B Anderson
11:40 AM	410	Electrocatalytic property of PtPb and PtBi intermetallic line compounds via DFT Lin-lin Wang, Duane D. Johnson
12:00 PM	411	In situ electrochemical X-ray absorption spectroscopy characterizations of CoTMPP-based electrocatalysts for ORR applications Sanjeev Mukerjee, Joseph M. Ziegelbauer, Timothy S. Olson, Plamen Atanassov

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