Design of improved thermoelectric and thermal energy storage properties of katoite, the stable hydration product of calcium aluminate cement
The use of sustainable cementitious materials as a low-cost thermal energy storage medium and thermoelectric generator is currently gaining attention. However, considerable improvement is required to increase their heat storage density and thermoelectric efficiency. In this research, we design anion...
| Autores: | , , |
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| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2025 |
| País: | España |
| Institución: | Consejo Superior de Investigaciones Científicas (CSIC) |
| Repositorio: | DIGITAL.CSIC. Repositorio Institucional del CSIC |
| OAI Identifier: | oai:digital.csic.es:10261/405640 |
| Acceso en línea: | http://hdl.handle.net/10261/405640 |
| Access Level: | acceso abierto |
| Palabra clave: | Sustainable cementitious materials Katoite Lattice thermal conductivity Thermoelectric properties Thermoelectric figure of merit Electronic structure |
| Sumario: | The use of sustainable cementitious materials as a low-cost thermal energy storage medium and thermoelectric generator is currently gaining attention. However, considerable improvement is required to increase their heat storage density and thermoelectric efficiency. In this research, we design anion and cation doping models that result in the improvement of the thermoelectric properties of katoite (Ca3Al2(OH)12). We use density functional theory and Boltzmann transport theory methodologies to explore katoite's intrinsic and improved thermoelectric properties. With appropriate doping, we predicted the maximum ZT of 0.31 and 0.6 for electron and hole doping, respectively. Our results indicate that sustainable building can be achieved by appropriately doping katoite-based calcium aluminate cement to improve the thermal energy density and thermoelectric efficiency. |
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