JOURNAL ARTICLE

Poisoning effect of adsorbed CO during CO2 electroreduction on late transition metals

Sneha A Akhade, Wenjia Luo, Xiaowa Nie, Nicole J Bernstein, Aravind Asthagiri, Michael J Janik
Physical Chemistry Chemical Physics: PCCP 2014 October 14, 16 (38): 20429-35
25165989
Copper cathodes, at sufficiently negative potentials, are selective for hydrocarbon production during the electrochemical reduction of carbon dioxide. Other metals, such as Pt, Fe, Ni and Co, produce low to zero hydrocarbons. We employ density functional theory to examine the coverage of reaction intermediates under CO2 electroreduction conditions. A detailed thermodynamic analysis suggests that a high coverage of adsorbed CO at relevant reduction potentials blocks the metal surface sites for H adsorption, preventing C-H bond formation. The potential-dependent energetics of H adsorption and CO formation are highly sensitive to the surface coverage of the adsorbed species. The formation of surface carbon as a competing adsorption intermediate is also explored at relevant reduction potentials. CO2 electroreduction to hydrocarbons over metals active for the thermal reduction process (Fe, Ni, Co, Pt) would require a H supply for C-H bond formation that is competitive with CO* and C* at the surface.

Full Text Links

Find Full Text Links for this Article

Discussion

You are not logged in. Sign Up or Log In to join the discussion.

Related Papers

Remove bar
Read by QxMD icon Read
25165989
×

Save your favorite articles in one place with a free QxMD account.

×

Search Tips

Use Boolean operators: AND/OR

diabetic AND foot
diabetes OR diabetic

Exclude a word using the 'minus' sign

Virchow -triad

Use Parentheses

water AND (cup OR glass)

Add an asterisk (*) at end of a word to include word stems

Neuro* will search for Neurology, Neuroscientist, Neurological, and so on

Use quotes to search for an exact phrase

"primary prevention of cancer"
(heart or cardiac or cardio*) AND arrest -"American Heart Association"