Ag doping effect on electronic and thermoelectric properties of SrTiO3 (0 0 1) surface
The search for sustainable energy sources has been a global demand in recent decades. In this context, thermoelectric materials (TE) have been an interesting alternative for this purpose and constitute a relevant research topic for increasing the efficiency of sustainable energy production. In this...
| Autores: | , , , |
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| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2023 |
| País: | Brasil |
| Institución: | Universidade Estadual Paulista (UNESP) |
| Repositorio: | Repositório Institucional da UNESP |
| Idioma: | inglés |
| OAI Identifier: | oai:repositorio.unesp.br:11449/247436 |
| Acceso en línea: | http://dx.doi.org/10.1016/j.commatsci.2023.112274 http://hdl.handle.net/11449/247436 |
| Access Level: | acceso abierto |
| Palabra clave: | (0 0 1) surface and thermoelectric Ag Doping SrTiO3 |
| Sumario: | The search for sustainable energy sources has been a global demand in recent decades. In this context, thermoelectric materials (TE) have been an interesting alternative for this purpose and constitute a relevant research topic for increasing the efficiency of sustainable energy production. In this sense, computational simulation of the functionalization of SrTiO3 is proposed via Ag-doping on the (0 0 1) surface. The results show the emergence of a midgap trap state, leading to a band gap energy decrease, an increase in dielectric constants and the effective mass electron. The Ag-doping generates a decrease in electrical conductivity and an increase in the figure of merit, which are associated with a significant reduction in thermal conductivity (∼5 times), indicating that the material can be used with TE at high temperatures. The Ag-SrTiO3 (0 0 1) surface is promising for developing new thermoelectric devices. |
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