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SUMMARY:Electronic and Thermal Transport in Carbon Nanostructures from Fir
 st-Principles
DTSTART:20121116T141500
DTSTAMP:20260428T074402Z
UID:18186135f6a793791581c2275b19712dde4c5424f85039cfc322b539
CATEGORIES:Conferences - Seminars
DESCRIPTION:Prof. N. Marzari\, Theory and Simulation of Materials - EPFL\n
 First-principles simulations have become nowadays a very powerful tool to 
 understand\, characterize\, and design novel materials and devices. Their 
 relevance becomes even more compelling at the nanoscale\, where they can p
 owerfully complement experimental characterization and screening.  \nI'l
 l first show a few examples where the calculation of first-principles spec
 troscopic data\, in combination with experimental results\, allows for a d
 etailed characterization of microscopic structural details. Then\, I'll pr
 esent some of our work on electrical and thermal transport in graphene and
  derivatives\, using  density-functional perturbation theory to calculate
  quantum transport in the ballistic regime and in the presence of inelasti
 c scattering channels\, and semi-classically using phonon lifetimes or ele
 ctron scattering times. In particular I will focus on thermal transport an
 d electron mobility in suspended or strained graphene\, and on ballistic o
 r inelastic electrical transport in functionalized nanotubes and ribbon/tu
 be junctions.
LOCATION:PH L1 503 http://plan.epfl.ch/?room=PHL1503
STATUS:CONFIRMED
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