Establishing the Relationship between Quantum Capacitance and Softness of N-Doped Graphene/Electrolyte Interfaces within the Density Functional Theory Grand Canonical Kohn

Establishing the Relationship between Quantum Capacitance and Softness of N-Doped Graphene/Electrolyte Interfaces within the Density Functional Theory Grand Canonical Kohn–Sham Formalism

Published:2019-12-26 Issue:3 Volume:124 Page:573-581
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Ochoa-Calle Alvaro¹^ORCID,Guevara-García Alfredo²^ORCID,Vazquez-Arenas Jorge²^ORCID,González Ignacio¹^ORCID,Galván Marcelo¹^ORCID

Affiliation:

1. Departamento de Química, Universidad Autónoma Metropolitana-Iztapalapa, Apartado Postal, 55-534, 09340 Iztapalapa, CDMX, México

2. Departamento de Química, CONACYT-Universidad Autónoma Metropolitana-Iztapalapa, Apartado Postal, 55-534, 09340 Iztapalapa, CDMX, México

Funder

Consejo Nacional de Ciencia y Tecnolog?a

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.9b10885

Reference45 articles.

1. Nitrogen-Doped Carbon Nanotube Arrays with High Electrocatalytic Activity for Oxygen Reduction

2. Theoretical and experimental studies of highly active graphene nanosheets to determine catalytic nitrogen sites responsible for the oxygen reduction reaction in alkaline media

3. Quantum capacitance devices

4. First-Principles Calculation of Quantum Capacitance of Codoped Graphenes as Supercapacitor Electrodes

5. A Computational Study of the Interfacial Structure and Capacitance of Graphene in [BMIM][PF6] Ionic Liquid

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