The density-of-States and equilibrium charge dynamics of redox-active switches
The 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 demonst...
| Autores: | , , , |
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| Formato: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2021 |
| País: | Brasil |
| Recursos: | Universidade Estadual Paulista (UNESP) |
| Repositorio: | Repositório Institucional da UNESP |
| Idioma: | inglés |
| OAI Identifier: | oai:repositorio.unesp.br:11449/233136 |
| Acesso em linha: | http://dx.doi.org/10.1016/j.electacta.2021.138410 http://hdl.handle.net/11449/233136 |
| Access Level: | acceso abierto |
| Palavra-chave: | Constant redox potential Electrochemical capacitance Electrochemical density-of-states Electron transfer Modified electrodes Molecular dynamics Redox-active interfaces |
| Resumo: | The 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. |
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