ssessing the oxygen reduction reaction by a 2-electron mechanism on ceria surface

Autor(es)

Lucchetti, Lanna E. B. ^[1] ; de Almeida, James M. ^[2] ; Autreto, Pedro A. S. ^[2] ; Santos, Mauro C. ^[1]

Afiliação do(s) autor(es)

^[1] Univ Fed ABC UFABC, Lab Eletroquim & Mat Nanoestruturados LEMN, Ctr Ciencias Nat & Humanas CCNH, Rua Santa Adelia 166, BR-09210170 Santo Andre, SP - Brazil

^[2] Univ Fed ABC UFABC, Ctr Ciencias Nat & Humanas CCNH, Rua Santa Adelia 166, BR-09210170 Santo Andre, SP - Brazil

• Tipo de documento: Artigo Científico
• Fonte: Physical Chemistry Chemical Physics; v. 23, n. 34 AUG 2021.
• Citações Web of Science: 2

Resumo

The 2-electron pathway of the oxygen reduction reaction is an unwanted process in the development of fuel cells. In contrast, it has gained the scientific community's attention due to its importance as a promising way of removing emergent pollutants and endocrine disruptors from water bodies and a more sustainable alternative for large-scale commercial hydrogen peroxide production. Cerium oxide has shown remarkable potential and selectivity experimentally for this mechanism, and its possible applications, exceeding the previous reference materials. In this work, we studied the 2-electron pathway for oxygen reduction on different ceria-cleaving directions (100), (110), (221), and (331) by first principles methods based on density functional theory. Our results show that the (100) surface is the most favorable for reduction, with the (331) crystallographic plane also showing potential for good catalytic activity. This fact could be essential for designing new nanostructures, with higher portions of those planes exposed, for higher catalytic activity. (AU)

• 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
• 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