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SUMMARY:First-principles simulation of electrified interfaces under realis
 tic electrochemical conditions
DTSTART:20161219T131500
DTEND:20161219T141500
DTSTAMP:20260407T002617Z
UID:89aae4bff02c377fe954379486a4fed54b091b96e4d926487bbabe46
CATEGORIES:Conferences - Seminars
DESCRIPTION:Dr. Ismaila Dabo\, Materials Science and Engineering at Penn S
 tate University\nSimulating the charge–voltage response and voltage-depe
 ndent stability of solid–solution interfaces is one of the grand challen
 ges facing first-principles computational methods in assisting the develop
 ment of new electrochemical devices.  This presentation will discuss rece
 nt progress in the quantum–continuum multiscale modeling of solid–solu
 tion interfaces to accelerate the development of core–shell transition-m
 etal nanoparticles with a focus on answering the critical question surroun
 ding their surface stability under the operating conditions that are relev
 ant to electrochemical.  Time permitting\, first-principles results for t
 he charge–voltage response of ruthenia pseudocapacitors electrodes at fi
 nite temperature and taking into account surface disorder will be also pre
 sented.\n\nBio: Ismaila Dabo received his B.S. and M.S. in Mechanical Engi
 neering from Ecole Polytechnique (France) in 2002 and 2004.  He graduated
  with a Ph.D. in Materials Science and Engineering from the Massachusetts 
 Institute of Technology (MIT) in 2008.  His doctoral research under the s
 upervision of Dr. Marzari was dedicated to predicting the electrical respo
 nse of quantum systems embedded in electrochemical environments and to stu
 dying chemical poisoning in low-temperature fuel cells.  After graduation
 \, Ismaila Dabo became a postdoctoral researcher and then a permanent rese
 archer at Ecole des Ponts\, University of Paris-Est (France).  He joined 
 the Department of Materials Science and Engineering at Penn State in 2013.
LOCATION:MXF 1 https://plan.epfl.ch/?room==MXF%201
STATUS:CONFIRMED
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