Structural and electronic properties of Li-adsorbed single and bilayer porphyrin sheets as an electrode material for energy storage devices

Structural and electronic properties of Li-adsorbed single and bilayer porphyrin sheets as an electrode material for energy storage devices – a DFT analysis

Published:2024 Issue:9 Volume:26 Page:7808-7820
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

K. A. Asnafarsin¹,V. S. Anithaa²^ORCID,Balakrishnan Abhayram³,Suresh Rahul⁴^ORCID,Hernandez Norge Cruz⁵^ORCID,Subramaniam Vijayakumar¹^ORCID

Affiliation:

1. Department of Medical Physics, Bharathiar University, Coimbatore, India

2. Department of Physics, Bharathiar University, Coimbatore, India

3. Postdoctoral Fellow, Department of Chemistry, National Cheng Kung University, Tainan City, 701, Taiwan

4. International Research Center of Spectroscopy and Quantum Chemistry – IRC SQC, Siberian Federal University, 79 Svobodny pr., 660041 Krasnoyarsk, Russia

5. Departamento de Física Aplicada I, Escuela Politécnica Superior, Universidad de Sevilla, Seville E-41011, Spain

Abstract

The 2D monolayer and bilayer porphyrin sheets of COF has been studied. This sheet exhibits good mechanical stability, high adsorption energies and high electrical conductivity thus exist as a promising electrode material for Li-ion batteries.

Funder

Ministry of Education and Science of the Russian Federation

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D3CP04928K

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