Can I read Ni-N4 sites in a single-atom Ni catalyst on N-doped carbon for hydrogen production from formic acid on EtoBox?

Ni-N4 sites in a single-atom Ni catalyst on N-doped carbon for hydrogen production from formic acid by Dmitri A. Bulushev; Alina D. Nishchakova; Svetlana V. Trubina; Olga A. Stonkus; Igor P. Asanov; Alexander V. Okotrub; Lyubov G. Bulusheva is a Materials Science article available to read on EtoBox.

What is Ni-N4 sites in a single-atom Ni catalyst on N-doped carbon for hydrogen production from formic acid about?

N 4 site N-doped carbon Formic acid decomposition Hydrogen production XANES/EXAFS XPS DFT a b s t r a c t The purposes of this research were to synthesize single-atom 1 wt% Ni catalysts for the hydrogen production from formic acid using a simple impregnation of N-doped carbon with Ni acetate, to elucidate the nature of the Ni site using a combination of experimental methods with density functional theory calculations, to propose a reaction mechanism with this Ni site and to compare the catalytic properties of the single-atom catalysts with those of a traditional Ni catalyst with nanoparticles (3.9 nm). We found that the single Ni atom formed a Ni-N 4 site in a double vacancy of curved N-doped graphene. Mass-based catalytic activities of the single-atom and traditional catalysts were close. The mechanism of the reaction involved the formation of formate through participation of the Ni and N atoms. The highest energy barrier (1.088 eV) was determined for the step of recombination of hydrogen atoms. This barrier corresponded well to the experimental apparent activation energy.

Who reads Ni-N4 sites in a single-atom Ni catalyst on N-doped carbon for hydrogen production from formic acid?

Author

Dmitri A. Bulushev; Alina D. Nishchakova; Svetlana V. Trubina; Olga A. Stonkus; Igor P. Asanov; Alexander V. Okotrub; Lyubov G. Bulusheva

Publisher

Elsevier BV

Published

2021

Language

EN

Field

Materials Science (Physical Sciences)