The density-of-States and equilibrium charge dynamics of redox-active switches

Registro completo de metadados
MetadadosDescriçãoIdioma
Autor(es): dc.contributorUniversidade Estadual Paulista (UNESP)-
Autor(es): dc.contributorUniversity of Florida-
Autor(es): dc.creatorBueno, Paulo Roberto-
Autor(es): dc.creatorCruzeiro, Vinícius Wilian D.-
Autor(es): dc.creatorRoitberg, Adrian E.-
Autor(es): dc.creatorFeliciano, Gustavo T.-
Data de aceite: dc.date.accessioned2025-08-21T15:32:49Z-
Data de disponibilização: dc.date.available2025-08-21T15:32:49Z-
Data de envio: dc.date.issued2022-05-01-
Data de envio: dc.date.issued2022-05-01-
Data de envio: dc.date.issued2021-08-10-
Fonte completa do material: dc.identifierhttp://dx.doi.org/10.1016/j.electacta.2021.138410-
Fonte completa do material: dc.identifierhttp://hdl.handle.net/11449/233136-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/11449/233136-
Descrição: dc.descriptionThe density-of-states of redox-active molecular scale switches is the origin of a measurable pseudo-capacitance that possesses an intrinsic quantum capacitive nature with applications that spans nanoscale electronics, molecular sensing, field-effect devices and so on. In the present work, we demonstrate that the equilibrium occupancy and shape of this density-of-states, which is associated with the energy state of the interface, can be accurately simulated using statistical mechanics, particularly by applying computational methods based on a constant (electro)chemical potential. This permits the simulation of experimental current-voltage responses and, consequently, the prediction and design of the properties of derived nanoscale devices.-
Descrição: dc.descriptionInstitute of Chemistry São Paulo State University-
Descrição: dc.descriptionDepartment of Chemistry University of Florida-
Descrição: dc.descriptionInstitute of Chemistry São Paulo State University-
Idioma: dc.languageen-
Relação: dc.relationElectrochimica Acta-
???dc.source???: dc.sourceScopus-
Palavras-chave: dc.subjectConstant redox potential-
Palavras-chave: dc.subjectElectrochemical capacitance-
Palavras-chave: dc.subjectElectrochemical density-of-states-
Palavras-chave: dc.subjectElectron transfer-
Palavras-chave: dc.subjectModified electrodes-
Palavras-chave: dc.subjectMolecular dynamics-
Palavras-chave: dc.subjectRedox-active interfaces-
Título: dc.titleThe density-of-States and equilibrium charge dynamics of redox-active switches-
Tipo de arquivo: dc.typelivro digital-
Aparece nas coleções:Repositório Institucional - Unesp

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