Journal
CATALYSIS LETTERS
Volume 143, Issue 7, Pages 631-635Publisher
SPRINGER
DOI: 10.1007/s10562-013-1023-5
Keywords
Carbon dioxide; DFT; Electrocatalysis; Reaction intermediates
Categories
Funding
- Air Force Office of Scientific Research through the MURI program under AFOSR [FA9550-10-1-0572]
- Office of Naval Research under the Young Investigators Program [N00014-12-1-0851]
- NSF GFRP
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We have used density functional theory calculations to study intermediates in the electroreduction of methanediol on copper. We find that methanediol, which is the hydrated form of formaldehyde, may be reduced to methanol with a limiting potential close to the experimental onset for reduction of aqueous formaldehyde.
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