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Molecular Oxygen Ac...
Molecular Oxygen Activation at a Conducting Polymer: Electrochemical Oxygen Reduction Reaction at PEDOT Revisited, a Theoretical Study
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- Gueskine, Viktor (författare)
- Linköpings universitet,Laboratoriet för organisk elektronik,Tekniska fakulteten
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- Singh, Amritpal (författare)
- Linköpings universitet,Institutionen för teknik och naturvetenskap,Tekniska fakulteten
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- Vagin, Mikhail (författare)
- Linköpings universitet,Laboratoriet för organisk elektronik,Tekniska fakulteten
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- Crispin, Xavier (författare)
- Linköpings universitet,Laboratoriet för organisk elektronik,Tekniska fakulteten
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- Zozoulenko, Igor (författare)
- Linköpings universitet,Laboratoriet för organisk elektronik,Tekniska fakulteten
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(creator_code:org_t)
- 2020-05-21
- 2020
- Engelska.
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Ingår i: The Journal of Physical Chemistry C. - : AMER CHEMICAL SOC. - 1932-7447 .- 1932-7455. ; 124:24, s. 13263-13272
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https://liu.diva-por... (primary) (Raw object)
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https://pubs.acs.org...
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- Molecular oxygen requires activation in order to be reduced, which prompts extensive searching for efficient and sustainable electrode materials to drive electrochemical oxygen reduction reaction (ORR), of primary importance for energy production and storage. A conjugated polymer PEDOT is a metal-free material for which promising ORR experimental results have been obtained. However, sound theoretical understanding of this reaction at an organic electrode is insufficient, as the concepts inherited from electrocatalysis at transition metals are not necessarily relevant for a molecular organic material. In this work, we critically analyze the basics of electrochemical ORR and build a model for our DFT calculations of the reaction thermodynamics based on this analysis. Altogether, this work leads to a conclusion that outer sphere electron transfer that currently attracts increasing attention in the context of ORR is a viable mechanism at a conducting polymer electrode.
Ämnesord
- NATURVETENSKAP -- Kemi -- Oorganisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Inorganic Chemistry (hsv//eng)
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- art (ämneskategori)
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