Electrochemical water oxidation by cobalt-Prussian blue coordination polymer and theoretical studies of the electronic structure of the active species

Autor: Pires, Bruno Morandi, 1989, Santos, Pãmyla Layene dos, 1990, Katic, Vera, 1986, Strohauer, Stefan, Landers, Richard, 1946, Formiga, André Luiz Barboza, 1978, Bonacin, Juliano Alves, 1980
Přispěvatelé: UNIVERSIDADE ESTADUAL DE CAMPINAS
Rok vydání: 2019
Předmět:
Zdroj: Repositório da Produção Científica e Intelectual da Unicamp
Universidade Estadual de Campinas (UNICAMP)
instacron:UNICAMP
Repositório Institucional da Unicamp
Popis: Agradecimentos: The authors are grateful and acknowledge the financial support by CNPq (grant# 459923/2014-5), Fundo de Apoio ao Ensino, à Pesquisa e à Extensão – Universidade Estadual de Campinas, FAEPEX-UNICAMP (grant# 2824/17 and grant# 2145/18), and Fundação de Amparo à Pesquisa do Estado de São Paulo, FAPESP (grant# 2013/22127-2, grant# 2017/23960-0 and grant# 2018/03576-4). This study was financed in part by the Coordenação de Aperfeiçoamento de Pessoal de Nível Superior – Brasil (CAPES) – Finance Code 001. We also acknowledge Prof. Dr José Ramón Galán Mascarós and Dr Marta Blasco-Ahicart from Instiut Català d'Investigaciò Científica (ICIQ) Abstract: The search for earth-abundant metal-based catalysts for the oxygen evolution reaction (OER) that operates under neutral conditions is a challenge in the field of sustainable energy. Many strategies have been used, and coordination polymers with structures similar to Prussian blue appear to be interesting electrocatalysts due to their efficiency, stability and tunable properties. In this paper, a novel catalyst produced from a cobalt-pentacyanidoferrate precursor is presented and applied in studies of the OER. This material showed a high surface active area and electrocatalytic activity comparable to traditional cobalt hexacyanidoferrate. According to the theoretical calculations, the improvement of these properties is an effect of the framework arrangement and it is not caused by changes of the electronic structure. Further experimental evidence is necessary to determine the active species. However, our results of spin densities obtained from DFT calculations suggest that the active species for water oxidation is the radical Fe(III)CN-Co(III)-O-center dot CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICO - CNPQ FUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE SÃO PAULO - FAPESP COORDENAÇÃO DE APERFEIÇOAMENTO DE PESSOAL DE NÍVEL SUPERIOR - CAPES Fechado
Databáze: OpenAIRE
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