Au core stabilizes CO adsorption onto Pd leading to CO2 production
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2020
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Materials Today Advances
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Au core and Pd shell supported on carbon structure Au@Pd/C can cleave the CeC bond of ethanol
molecules leading to the production of a relatively high amount of CO2 when compared with Pd/C
electrocatalyst as the attenuated total reflectance - Fourier transform infrared (ATR-FTIR) experiment
shows. Density functional theory (DFT) calculations showed that this could be explained by the oxidation
of CO species adsorbed into Pd sites that has a modified electronic structure compared with Pd/C. In
terms of DFT analysis, the highest thermodynamical stability of CO in Pd shell with Au core atoms, when
compared with Pd/C is because of the increase of virtual orbital states near Fermi level that can be
occupied by valence electrons of CO molecule. The d-band center shift is experimentally verified using
the valence band X-ray photoelectron spectroscopy and theoretically predicted by the Generalized
Koopmans’ Theorem. Besides that, Au@Pd/C electrocatalyst has a better electrochemical activity when
compared with Pd/C.
Como referenciar
FONTES, E.H.; NANDENHA, J.; SOUZA, R.F.B. de; ANTONIO, F.C.T.; HOMEM-DE-MELLO, P.; NETO, A.O. Au core stabilizes CO adsorption onto Pd leading to CO2 production. Materials Today Advances, v. 6, p. 1-9, 2020. DOI: 10.1016/j.mtadv.2020.100070. Disponível em: http://repositorio.ipen.br/handle/123456789/31397. Acesso em: 26 Apr 2024.
Esta referência é gerada automaticamente de acordo com as normas do estilo IPEN/SP (ABNT NBR 6023) e recomenda-se uma verificação final e ajustes caso necessário.