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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

Density functional theory studies of oxygen reduction reaction for hydrogen peroxide generation on Graphene-Based catalysts

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Lucchetti, Lanna E. B. [1] ; Almeida, Michell O. [2] ; de Almeida, James M. [3] ; Autreto, Pedro A. S. [3] ; Honorio, Kathia M. [2, 3] ; Santos, Mauro C. [1]
Total Authors: 6
[1] Univ Fed ABC UFABC, Ctr Ciencias Nat & Humans CCNH, Lab Eletroquim & Mat Nanoestruturados LEMN, Rua Santa Adelia 166, 09210-170, BR-09210170 Santo Andre, SP - Brazil
[2] Univ Sao Paulo, Escola Artes Ciencias & Humanidades, Rua Arlindo Betio 1000, BR-0382800 Sao Paulo, SP - Brazil
[3] Univ Fed ABC UFABC, Ctr Ciencias Nat & Humanas CCNH, Rua Santa Adelia 166, BR-09210170 Santo Andre, SP - Brazil
Total Affiliations: 3
Document type: Review article
Web of Science Citations: 0

The two-electron pathway of the oxygen reduction reaction has been gaining attention from the scientific community due to its capability of forming radical hydroxyl. In addition, it is a promising way of removing emergent pollutants, like dyes, pharmaceuticals, hormones, pesticides, and endocrine disruptors from water bodies, a very serious problem that currently challenges scientists and grows at a global scale. Theoretical calculations have already guided, over the last decade, the development of better catalysts for the oxygen reduction reaction. However, this mechanism had usually been, until recently, taken as an unwanted process since the preferred route for energy generation and the main focus of these studies is the four-electron pathway. This review summarizes the recent progress on computational calculations from the hydrogen peroxide generation process point of view, specifically focused on carbon-based materials. (AU)

FAPESP's process: 18/19103-8 - Computational Study of Electrochemical Properties Related to the Degradation of Endocrine Disruptors
Grantee:Michell de Oliveira Almeida
Support Opportunities: Scholarships in Brazil - Post-Doctorate
FAPESP's process: 17/10118-0 - Study and application of electrochemical technology for the analysis and degradation of endocrine interferents: materials, sensors, processes and scientific dissemination
Grantee:Marcos Roberto de Vasconcelos Lanza
Support Opportunities: Research Projects - Thematic Grants
FAPESP's process: 19/01925-4 - Application of gas diffusion electrodes modified with advanced materials in hydrogen peroxide electrosynthesis applied for the degradation of organic pollutants
Grantee:Lanna Emilli Barbosa Lucchetti
Support Opportunities: Scholarships in Brazil - Doctorate (Direct)