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

Autor(es)

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]

Afiliação do(s) autor(es)

^[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

• Tipo de documento: Artigo de Revisão
• Fonte: JOURNAL OF ELECTROANALYTICAL CHEMISTRY; v. 895, AUG 15 2021.
• Citações Web of Science: 0

Resumo

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)

• Processo FAPESP: 18/19103-8 - Estudo Computacional das Propriedades Eletroquímicas Relacionadas com a Degradação de Interferentes Endócrinos
• Beneficiário: Michell de Oliveira Almeida
• Modalidade de apoio: Bolsas no Brasil - Pós-Doutorado
• Processo FAPESP: 17/10118-0 - Estudo e aplicação da tecnologia eletroquímica para a análise e a degradação de interferentes endócrinos: materiais, sensores, processos e divulgação científica
• Beneficiário: Marcos Roberto de Vasconcelos Lanza
• Modalidade de apoio: Auxílio à Pesquisa - Temático
• Processo FAPESP: 19/01925-4 - Aplicação de eletrodos de difusão gasosa modificados com materiais avançados na eletrossíntese de peróxido de hidrogênio e posterior degradação de poluentes orgânicos
• Beneficiário: Lanna Emilli Barbosa Lucchetti
• Modalidade de apoio: Bolsas no Brasil - Doutorado Direto