Single site porphyrine-like structures advantages over metals for selective electrochemical CO2 reduction

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Standard

Single site porphyrine-like structures advantages over metals for selective electrochemical CO2 reduction. / Bagger, Alexander; Ju, Wen; Varela, Ana Sofia; Strasser, Peter; Rossmeisl, Jan.

I: Catalysis Today, Bind 288, 2017, s. 74-78.

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt

Harvard

Bagger, A, Ju, W, Varela, AS, Strasser, P & Rossmeisl, J 2017, 'Single site porphyrine-like structures advantages over metals for selective electrochemical CO2 reduction', Catalysis Today, bind 288, s. 74-78. https://doi.org/10.1016/j.cattod.2017.02.028

APA

Bagger, A., Ju, W., Varela, A. S., Strasser, P., & Rossmeisl, J. (2017). Single site porphyrine-like structures advantages over metals for selective electrochemical CO2 reduction. Catalysis Today, 288, 74-78. https://doi.org/10.1016/j.cattod.2017.02.028

Vancouver

Bagger A, Ju W, Varela AS, Strasser P, Rossmeisl J. Single site porphyrine-like structures advantages over metals for selective electrochemical CO2 reduction. Catalysis Today. 2017;288:74-78. https://doi.org/10.1016/j.cattod.2017.02.028

Author

Bagger, Alexander ; Ju, Wen ; Varela, Ana Sofia ; Strasser, Peter ; Rossmeisl, Jan. / Single site porphyrine-like structures advantages over metals for selective electrochemical CO2 reduction. I: Catalysis Today. 2017 ; Bind 288. s. 74-78.

Bibtex

@article{2752da727f4f46b79e357455cbdc7851,
title = "Single site porphyrine-like structures advantages over metals for selective electrochemical CO2 reduction",
abstract = "Currently, no catalysts are completely selective for the electrochemical CO2 Reduction Reaction (CO2RR). Based on trends in density functional theory calculations of reaction intermediates we find that the single metal site in a porphyrine-like structure has a simple advantage of limiting the competing Hydrogen Evolution Reaction (HER). The single metal site in a porphyrine-like structure requires an ontop site binding of hydrogen, compared to the hollow site binding of hydrogen on a metal catalyst surface. The difference in binding site structure gives a fundamental energy-shift in the scaling relation of ∼0.3eV between the COOH* vs. H* intermediate (CO2RR vs. HER). As a result, porphyrine-like catalysts have the advantage over metal catalyst of suppressing HER and enhancing CO2RR selectivity.",
keywords = "CO reduction reaction, Electrochemistry, Porphyrine structures, Scaling relation",
author = "Alexander Bagger and Wen Ju and Varela, {Ana Sofia} and Peter Strasser and Jan Rossmeisl",
year = "2017",
doi = "10.1016/j.cattod.2017.02.028",
language = "English",
volume = "288",
pages = "74--78",
journal = "Catalysis Today",
issn = "0920-5861",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Single site porphyrine-like structures advantages over metals for selective electrochemical CO2 reduction

AU - Bagger, Alexander

AU - Ju, Wen

AU - Varela, Ana Sofia

AU - Strasser, Peter

AU - Rossmeisl, Jan

PY - 2017

Y1 - 2017

N2 - Currently, no catalysts are completely selective for the electrochemical CO2 Reduction Reaction (CO2RR). Based on trends in density functional theory calculations of reaction intermediates we find that the single metal site in a porphyrine-like structure has a simple advantage of limiting the competing Hydrogen Evolution Reaction (HER). The single metal site in a porphyrine-like structure requires an ontop site binding of hydrogen, compared to the hollow site binding of hydrogen on a metal catalyst surface. The difference in binding site structure gives a fundamental energy-shift in the scaling relation of ∼0.3eV between the COOH* vs. H* intermediate (CO2RR vs. HER). As a result, porphyrine-like catalysts have the advantage over metal catalyst of suppressing HER and enhancing CO2RR selectivity.

AB - Currently, no catalysts are completely selective for the electrochemical CO2 Reduction Reaction (CO2RR). Based on trends in density functional theory calculations of reaction intermediates we find that the single metal site in a porphyrine-like structure has a simple advantage of limiting the competing Hydrogen Evolution Reaction (HER). The single metal site in a porphyrine-like structure requires an ontop site binding of hydrogen, compared to the hollow site binding of hydrogen on a metal catalyst surface. The difference in binding site structure gives a fundamental energy-shift in the scaling relation of ∼0.3eV between the COOH* vs. H* intermediate (CO2RR vs. HER). As a result, porphyrine-like catalysts have the advantage over metal catalyst of suppressing HER and enhancing CO2RR selectivity.

KW - CO reduction reaction

KW - Electrochemistry

KW - Porphyrine structures

KW - Scaling relation

U2 - 10.1016/j.cattod.2017.02.028

DO - 10.1016/j.cattod.2017.02.028

M3 - Journal article

AN - SCOPUS:85014116510

VL - 288

SP - 74

EP - 78

JO - Catalysis Today

JF - Catalysis Today

SN - 0920-5861

ER -

ID: 176609834