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High Voltage Electrodes for Li-Ion Batteries and Efficient Water Electrolysis: An Oxymoron?

Cherkashinin, Gennady and Schuch, Jona and Kaiser, Bernhard and Alff, Lambert and Jaegermann, Wolfram (2020):
High Voltage Electrodes for Li-Ion Batteries and Efficient Water Electrolysis: An Oxymoron?
In: The Journal of Physical Chemistry Letters, 11 (10), pp. 3754-3760. American Chemical Society, ISSN 1948-7185,
DOI: 10.1021/acs.jpclett.0c00778,
[Article]

Abstract

We demonstrate that key parameters for efficient electrocatalytic oxidation of water are the energetics of the redox complexes associated with their ionization and electrochemical potentials coupled to the change of metal–oxygen band hybridization. We investigate the catalytic activity of the LiCoPO4–LiCo2P3O10 tailored compound, which is a 5 V cathode material for Li-ion batteries. The reason for the weak catalytic activity of the lithiated compound toward the oxygen evolution reaction is a large energy difference between the electronic states involved in the electrochemical reaction. A highly active catalyst is obtained by tuning the relative energetic position of the electronic levels involved in the charge transfer reaction, which in turn are governed by the lithium content. A significant lowering of the overpotential from >550 mV to ∼370 mV at 10 mA cm–2 is achieved via a decrease of the ionization potential and shifting the electrochemical potential near the electronic states of the molecule, thereby facilitating water oxidation.

Item Type: Article
Erschienen: 2020
Creators: Cherkashinin, Gennady and Schuch, Jona and Kaiser, Bernhard and Alff, Lambert and Jaegermann, Wolfram
Title: High Voltage Electrodes for Li-Ion Batteries and Efficient Water Electrolysis: An Oxymoron?
Language: English
Abstract:

We demonstrate that key parameters for efficient electrocatalytic oxidation of water are the energetics of the redox complexes associated with their ionization and electrochemical potentials coupled to the change of metal–oxygen band hybridization. We investigate the catalytic activity of the LiCoPO4–LiCo2P3O10 tailored compound, which is a 5 V cathode material for Li-ion batteries. The reason for the weak catalytic activity of the lithiated compound toward the oxygen evolution reaction is a large energy difference between the electronic states involved in the electrochemical reaction. A highly active catalyst is obtained by tuning the relative energetic position of the electronic levels involved in the charge transfer reaction, which in turn are governed by the lithium content. A significant lowering of the overpotential from >550 mV to ∼370 mV at 10 mA cm–2 is achieved via a decrease of the ionization potential and shifting the electrochemical potential near the electronic states of the molecule, thereby facilitating water oxidation.

Journal or Publication Title: The Journal of Physical Chemistry Letters
Journal volume: 11
Number: 10
Publisher: American Chemical Society
Divisions: 11 Department of Materials and Earth Sciences
11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences > Material Science > Advanced Thin Film Technology
11 Department of Materials and Earth Sciences > Material Science > Surface Science
Date Deposited: 20 Jul 2020 05:19
DOI: 10.1021/acs.jpclett.0c00778
Official URL: https://doi.org/10.1021/acs.jpclett.0c00778
Projects: This work was supported by the German Science Foundation (DFG, CH 566/2-1)., G.C. thanks the Helmholtz Zentrum Berlin (BESSY II) for the allocation of synchrotron radiation beamtime at the SoLiAS endstation at the U56 II/PGM-1 beamline.
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