First-principles simulation of electrified interfaces under realistic electrochemical conditions
Event details
| Date | 19.12.2016 |
| Hour | 13:15 › 14:15 |
| Speaker | Dr. Ismaila Dabo, Materials Science and Engineering at Penn State University |
| Location | |
| Category | Conferences - Seminars |
Simulating the charge–voltage response and voltage-dependent stability of solid–solution interfaces is one of the grand challenges facing first-principles computational methods in assisting the development of new electrochemical devices. This presentation will discuss recent progress in the quantum–continuum multiscale modeling of solid–solution interfaces to accelerate the development of core–shell transition-metal nanoparticles with a focus on answering the critical question surrounding their surface stability under the operating conditions that are relevant to electrochemical. Time permitting, first-principles results for the charge–voltage response of ruthenia pseudocapacitors electrodes at finite temperature and taking into account surface disorder will be also presented.
Bio: Ismaila Dabo received his B.S. and M.S. in Mechanical Engineering 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 supervision of Dr. Marzari was dedicated to predicting the electrical response of quantum systems embedded in electrochemical environments and to studying chemical poisoning in low-temperature fuel cells. After graduation, Ismaila Dabo became a postdoctoral researcher and then a permanent researcher at Ecole des Ponts, University of Paris-Est (France). He joined the Department of Materials Science and Engineering at Penn State in 2013.
Bio: Ismaila Dabo received his B.S. and M.S. in Mechanical Engineering 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 supervision of Dr. Marzari was dedicated to predicting the electrical response of quantum systems embedded in electrochemical environments and to studying chemical poisoning in low-temperature fuel cells. After graduation, Ismaila Dabo became a postdoctoral researcher and then a permanent researcher at Ecole des Ponts, University of Paris-Est (France). He joined the Department of Materials Science and Engineering at Penn State in 2013.
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Practical information
- General public
- Free
Organizer
- Fabien Sorin et Michele Ceriotti
Contact
- Fabien Sorin et Michele Ceriotti