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SUMMARY:Efficient Storage Mechanisms for Building Better Supercapacitors -
  Professor Mathieu Salanne\, Sorbonne Université
DTSTART:20180221T141500Z
DTEND:20180221T151500Z
UID:TALK96265@talks.cam.ac.uk
CONTACT:Lisa Masters
DESCRIPTION:The electric double layer is generally viewed as simply the bo
 undary that interpolates between an electrolyte solution and a metal surfa
 ce. Contrary to that view\, recent studies have shown that the interface b
 etween ionic liquids and metallic electrodes can exhibit structures and fl
 uctuations that are not simple reflections of surrounding bulk materials [
 1]. The charge of the electrode is screened by the interfacial fluid and i
 nduces subtle changes in its structure\, which cannot be captured by the c
 onventional Gouy-Chapman theory. \n\nIn recent years\, this topic has been
  more intensively addressed in order to develop more efficient supercapaci
 tors [2]. The latter are electrochemical devices that store the charge at 
 the electrode/electrolyte interface through reversible ion adsorption. In 
 order to understand the molecular mechanisms at play\, we have performed m
 olecular dynamics simulations on a variety of systems made of ionic liquid
 s and electrodes of different geometries ranging from planar to nanoporous
 . A key aspect of our simulations is to use a realistic model for the elec
 trodes\, by allowing the local charges on the atoms to vary dynamically in
  response to the electrical potential caused by the ions and molecules in 
 the electrolyte [3].\n\nThese simulations have allowed us to gain strong i
 nsight on the structure and dynamics of ionic liquids at electrified inter
 faces. From the comparison between graphite and nanoporous carbide-derived
  carbon electrodes\, we have elucidated the microscopic mechanism at the o
 rigin of the increase of the capacitance enhancement in nanoporous carbons
  [4]. The simulations also provide us the diffusion coefficients of the io
 ns and the charging times for the full supercapacitor device [5]. More rec
 ently\, we have focused on the determination of redox reaction rates in na
 noporous carbons [6].\n\nReferences:\n1.	Fedorov\, M.V.\, Kornyshev\, A.A.
 \, Chem. Rev.\, 114 (2014)\, 2978-3036\n2.	Salanne\, M.\, Rotenberg\, B.\,
  Naoi\, K.\, Kaneko\, K.\, Taberna\, P.L.\, Grey\, C.P.\, Dunn\, B.\, Simo
 n\, P.\, Nature Energy\, 1 (2016)\, 16070\n3.	Siepmann\, J.I.\, Sprik\, M.
 \, J. Chem. Phys.\, 102 (1995)\, 511-524	\n4.	Merlet\, C.\, Rotenberg\, B.
 \, Madden\, P.A.\, Taberna\, P.L.\, Simon\, P.\, Gogotsi\, Y.\, Salanne\, 
 M.\, Nature Materials\, 11 (2012)\, 306-310\n5.	Pean\, C.\, Daffos\, B.\, 
 Rotenberg\, B.\, Levitz\, P.\, Haefele\, M.\, Taberna\, P.L.\, Simon\, P.\
 , Salanne\, M.\, J. Am. Chem. Soc.\, 137 (2015)\, 12627-12632\n6.	Li\, Z.\
 , Jeanmairet\, G.\, Mendez-Morales\, T.\, Burbano\, M.\, Haefele\, M.\, Sa
 lanne\, M.\, J. Phys. Chem. Lett.\, 8 (2017)\, 1925-1931\n
LOCATION:Department of Chemistry\, Cambridge\, Unilever lecture theatre
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