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SUMMARY:Electro-catalysis at the atomic scale
DTSTART:20181030T093000
DTEND:20181030T103000
DTSTAMP:20260507T213252Z
UID:2782c9bbe2c32dec3929a4f0ef4eff8bc00c152dadfd3e0ca5ff2a5b
CATEGORIES:Conferences - Seminars
DESCRIPTION:Prof. Jan Rossmeisl\nUniversity of Copenhagen\, Denmark\nThe c
 hemical industry should in the future be based on renewable energy. Theref
 ore\, material development for environmentally friendly\, electrocatalytic
  production of valuable chemicals is needed. Chemicals could be produced 
 using safe\, cheap\, more environmentally friendly and more abundant react
 ants than today. The products could be provided on demand at the place whe
 re they are needed\, reducing expensive and hazardous transport of chemica
 ls. However\, stable\, efficient and selective catalysts have to be discov
 ered. This requires insight into the surface chemistry at the atomic scale
 . Surface chemistry can be revealed based on density functional simulatio
 ns. However\, there are presently no atomic scale simulations or analysis 
 that capture all the essential parts of the nature electrochemical interfa
 ce. Thus the electrochemical solid/liquid interface represents one of the 
 frontiers of atomic scale simulations. I will give examples where the ins
 ight from simulations might pave the way for rational discovery of new cat
 alyst materials and new electrocatalytic processes for sustainable product
 ion of fuels and chemicals. Some examples are: oxygen reduction to H2O2\, 
 Oxygen evolution [2] and CO2 reduction reaction [3].\n\n[1] Enabling dire
 ct H2O2 production through rational electrocatalyst design. Siahrostami\, 
 Samira\; Verdaguer-Casadevall\, Arnau\; Karamad\, Mohammadreza\; et al. NA
 TURE MATERIALS\, 12\, 1137-1143\, 2013\n[2] Beyond the top of the volcano?
  - A unified approach to electrocatalytic oxygen reduction and oxygen evol
 ution. Busch\, Michael\; Halck\, Niels B.\; Kramm\, Ulrike I.\; et al NANO
  ENERGY\, 29\, 126-135\, 2016\n[3] Understanding activity and selectivity 
 of metal-nitrogen-doped carbon catalysts for electrochemical reduction of 
 CO2.  Ju\, Wen\; Bagger\, Alexander\; Hao\, Guang-Ping\; et al. NATURE CO
 MMUNICATIONS 8\, 944\, 2017.\n 
LOCATION:I17 4 K2 https://plan.epfl.ch/?room==I17%204%20K2
STATUS:CONFIRMED
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