Understanding the electrochemistry of armchair graphene nanoribbons containing nitrogen and oxygen functional groups: DFT calculations-Reference-Cited by-同舟云学术

Understanding the electrochemistry of armchair graphene nanoribbons containing nitrogen and oxygen functional groups: DFT calculations

Published:2020 Issue:8 Volume:22 Page:4533-4543
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

López-Urías Florentino¹²³⁴^ORCID,Fajardo-Díaz Juan L.¹²³⁴^ORCID,Cortés-López Alejandro J.¹²³⁴^ORCID,Rodríguez-Corvera Cristina L.¹²³⁴^ORCID,Jiménez-Ramírez Luis E.¹²³⁴^ORCID,Muñoz-Sandoval Emilio¹²³⁴^ORCID

Affiliation:

1. División de Materiales Avanzados

2. IPICYT

3. San Luis Potosí

4. Mexico

Abstract

Results are shown for the band structure, formation energy, band gaps, oxidation and reduction energies, electronic charge deficit, and global hydrophilicity index.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/C9CP05857E

Reference61 articles.

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2. Active sites on graphene-based materials as metal-free catalysts

3. Nitrogen-Doped Graphene Quantum Dots with Oxygen-Rich Functional Groups

4. Combined Effect of Nitrogen- and Oxygen-Containing Functional Groups of Microporous Activated Carbon on its Electrochemical Performance in Supercapacitors

5. Role of Oxygen Functional Groups in Carbon Nanotube/Graphene Freestanding Electrodes for High Performance Lithium Batteries

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