| Texto completo | |
| Autor(es): |
Nieto, Edgar Fabian Pinzon
;
Lopes, Lais Cristine
;
dos Santos, Adriano
;
Raposo, Maria Manuela Marques
;
Bueno, Paulo Roberto
Número total de Autores: 5
|
| Tipo de documento: | Artigo Científico |
| Fonte: | Electrochimica Acta; v. 501, p. 12-pg., 2024-08-02. |
| Resumo | |
The quantum rate theory provides a framework to understand electron-transfer reactions by correlating the electron-transfer rate constant (v) v ) with the quantum capacitance (Cq) C q ) and the molecular conductance (G). G ). This theory, which is rooted in relativistic quantum electrodynamics, predicts a fundamental frequency v = E / h for electron-transfer reactions, where E is the energy associated with the density of states C q / e 2 . This work demonstrates the applicability of the quantum rate theory to the intermolecular charge transfer of push-pull heterocyclic compounds assembled over conducting electrodes. Remarkably, the observed differences between molecular junction electronics formed by push-pull molecules and the electrodynamics of electrochemical reactions on redox-active modified electrodes can be attributed solely to the adiabatic setting of the quantum conductance in push-pull molecular junctions. The electrolyte field-effect screening environment plays a crucial role in modulating the resonant quantum conductance dynamics of the molecule-bridge-electrode structure. In this context, the intermolecular electrodynamics within the frontier molecular orbital of push-pull heterocyclic molecules adhere to relativistic quantum mechanics, consistent with the predictions of the quantum rate theory. (AU) | |
| Processo FAPESP: | 17/24839-0 - Eletrônica e eletroquímica em escala nanométrica: fundamentos e aplicações |
| Beneficiário: | Paulo Roberto Bueno |
| Modalidade de apoio: | Auxílio à Pesquisa - Temático |
| Processo FAPESP: | 18/24525-9 - Eletrônica e eletroquímica em escala nanométrica: fundamentos e aplicações |
| Beneficiário: | Edgar Fabian Pinzon Nieto |
| Modalidade de apoio: | Bolsas no Brasil - Doutorado Direto |