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SUMMARY:Running Combustion Backwards: Fuels from Sunlight\, From First Pri
 nciples - Professor Emily Carter (Princeton University)
DTSTART:20140211T160000Z
DTEND:20140211T170000Z
UID:TALK49708@talks.cam.ac.uk
CONTACT:Aron Cohen
DESCRIPTION:Efficient (photo)electrochemical production of fuels is one of
  the great technological challenges of our time. Such processes offer the 
 possibility of renewable fuel sources based on either solar or wind energy
  rather than biomass. However\, despite media reports to the contrary\, no
  efficient catalysts exist yet.  Over the past few years\, we have been ap
 plying first principles quantum mechanics techniques to help identify robu
 st\, efficient\, and inexpensive materials for photocatalytic electrodes t
 hat could convert sunlight\, carbon dioxide\, and water into fuels. In thi
 s first Linnett Lecture\, we focus on the chemistry of semiconductor elect
 rodes\, in particular those that have been used as anodes (e.g.\, hematite
 ) or cathodes (e.g.\, gallium phosphide) in photo-electrochemical cells to
  either split water or to convert carbon dioxide into methanol.  Given the
  inherent experimental difficulties with probing molecular species at the 
 semiconductor electrodes immersed in water\, our calculations offer the me
 ans to fill the knowledge gap regarding\, e.g.\, the relative stability of
  various electrochemical intermediates\, both in solution and at the semic
 onductor-liquid junction.  Armed with such knowledge\, it has been possibl
 e\, for example\, to exclude certain mechanisms for the production of meth
 anol at the cathode and to suggest surface additives to enhance water oxid
 ation at the anode.  
LOCATION:Department of Chemistry\, Cambridge\, Pfizer lecture theatre
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