MechE Colloquium: Chemistry makes graphene interfaces great again: a first-principles investigation

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Date 09.04.2019
Hour 12:1513:15
Speaker Prof. Marie-Laure Bocquet, CNRS, Chemistry Laboratory, ENS Paris
Location
Category Conferences - Seminars
Abstract:
Graphene is an attractive candidate for carbon-based electronic devices. However the absence of band gap is a major hindrance for this promising application. There is a need to develop facile routes for engineering the band gap via molecular functionalizations. The challenge resides in the fact that graphene is assumed to be chemically inert. [1]
In this talk I will mitigate this assumption and show using state-of-the-art quantum chemistry how graphene can properly react with molecules under mild conditions, first in UHV on a specific UHV graphene/metal interface [2] and seconds in alkaline water solvent .[3-4]
 
References:
[1] A. Eftekhari, H. Garcia, Materials Today Chemistry 4, 1 (2017).
[2] S. J. Altenburg, M. Lattelais, B. Wang, M.−L. Bocquet, and R. Berndt, J. Am. Chem. Soc. 137, 9452 (2015)
[3] B. Grosjean B, C. Péan, A. Siria, L. Bocquet, R. Vuilleumier, M.-L. Bocquet, J. Phys. Chem. Lett. 7, 4695 (2016)
[4] B. Grosjean, M.-L. Bocquet, L. Bocquet, Nature Com. in revision.
 
Bio:
Marie-Laure Bocquet (born 1968) graduated from the Ecole Normale Supérieure de Lyon in 1993, performed her phD about the simulation of STM images under the supervision of Philippe Sautet in the Chemistry Laboratory of ENS Lyon. She is now a Director of Research at the CNRS in the Chemistry Laboratory of ENS Paris, where her research interests are focused on the elucidation of chemical processes occuring at metallic, oxide or graphenic surfaces either in vacuum or in water media . They are mainly driven by high-resolution data acquired with a Scanning Tunneling Microscope STM or nanofluidic measurements in collaborative experimental groups.
In 2007 she held an one-year Humboldt Fellowship to study (in collaboration with Munich) the STM & theory of epitaxial graphene on metal surfaces. In 2013 she took a year sabbatical stay in the CNRS-MIT joint lab, Cambridge USA in 2013 working on atomistic models of shale gas.
Her scientific production consists of 79 publications in peer-reviewed journals (including Nature Chemistry, PRL, JACS and Angewandte), 26 Invited Talks in international conferences and 27 Invited Seminars in international institutions.

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MechE Colloquium: Chemistry makes graphene interfaces great again: a first-principles investigation

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