Electroreduction of methanediol on copper

Heine A. Hansen; Joseph H. Montoya; Yin Jia Zhang; Chuan Shi; Andrew A. Peterson; Jens K. Nørskov

doi:10.1007/s10562-013-1023-5

Electroreduction of methanediol on copper

Heine A. Hansen, Joseph H. Montoya, Yin Jia Zhang, Chuan Shi, Andrew A. Peterson, Jens K. Nørskov^*

^*Corresponding author for this work

Research output: Contribution to journal › Journal article › Research › peer-review

Abstract

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.

Original language	English
Journal	Catalysis Letters
Volume	143
Issue number	7
Pages (from-to)	631-635
Number of pages	5
ISSN	1011-372X
DOIs	https://doi.org/10.1007/s10562-013-1023-5
Publication status	Published - 2013
Externally published	Yes

Keywords

Carbon dioxide
DFT
Electrocatalysis
Reaction intermediates

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title = "Electroreduction of methanediol on copper",

abstract = "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.",

keywords = "Carbon dioxide, DFT, Electrocatalysis, Reaction intermediates",

author = "Hansen, {Heine A.} and Montoya, {Joseph H.} and Zhang, {Yin Jia} and Chuan Shi and Peterson, {Andrew A.} and N{\o}rskov, {Jens K.}",

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T1 - Electroreduction of methanediol on copper

AU - Hansen, Heine A.

AU - Montoya, Joseph H.

AU - Zhang, Yin Jia

AU - Shi, Chuan

AU - Peterson, Andrew A.

AU - Nørskov, Jens K.

PY - 2013

Y1 - 2013

N2 - 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.

AB - 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.

KW - Carbon dioxide

KW - DFT

KW - Electrocatalysis

KW - Reaction intermediates

U2 - 10.1007/s10562-013-1023-5

DO - 10.1007/s10562-013-1023-5

M3 - Journal article

AN - SCOPUS:84880134007

SN - 1011-372X

VL - 143

SP - 631

EP - 635

JO - Catalysis Letters

JF - Catalysis Letters

IS - 7

ER -

Electroreduction of methanediol on copper

Abstract

Keywords

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