CO[subscript 2] hydrogenation to formic acid on Ni(111)

CO[subscript 2] hydrogenation to formic acid on Ni(111)

Periodic, self-consistent, density functional theory (DFT) calculations are employed to study CO[subscript 2] hydrogenation on Ni(111). CO[subscript 2] hydrogenation with H adsorbed on the surface and with H absorbed in the subsurface is investigated systematically, and the respective microscopic re...

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Bibliographic Details
Main Authors: Peng, Guowen, Sibener, S. J., Schatz, George C., Mavrikakis, Manos, Ceyer, Sylvia
Other Authors: Massachusetts Institute of Technology. Department of Chemistry
Format: Article
Language:en_US
Published: American Chemical Society (ACS) 2015
Online Access:http://hdl.handle.net/1721.1/95962
https://orcid.org/0000-0002-9989-6622

Internet

http://hdl.handle.net/1721.1/95962
https://orcid.org/0000-0002-9989-6622

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