| Texto completo | |
| Autor(es): |
Flores, Efracio Mamani
;
Rivera, Victor Jose Ramirez
;
Gonzalo, Fredy Mamani
;
Ordonez-Miranda, Jose
;
Sambrano, Julio R.
;
Moreira, Mario Lucio
;
Piotrowski, Mauricio Jeomar
Número total de Autores: 7
|
| Tipo de documento: | Artigo Científico |
| Fonte: | SCIENTIFIC REPORTS; v. 14, n. 1, p. 15-pg., 2024-07-19. |
| Resumo | |
The quest for efficient thermoelectric materials has intensified with the advent of novel Janus monolayers exhibiting exceptional thermoelectric parameters. In this work, we comprehensively investigate the structural, electronic, transport, phonon, and thermoelectric properties of novel Janus gamma-Pb2XY (X=S, Se; Y=Se, Te; X not equal Y) monolayers using density functional theory combined with the Boltzmann transport equation. Our findings unveil the energetic, dynamic, thermal, and mechanical stability of these monolayers, along with their remarkable thermoelectric performance. Remarkably, the p-type gamma-Pb2SeTe monolayer exhibits an outstanding figure of merit (ZT) of 6.88 at 800 K, attributed to its intrinsically low lattice thermal conductivity of 0.162 Wm(-1)K(-1) arising from strong phonon scattering, low group velocity, low phonon relaxation time, and a high Gruneisen parameter. Furthermore, these monolayers demonstrate high Seebeck coefficients and electrical conductivities, making them promising for efficient charge transport and thermoelectric energy conversion. Our results highlight the immense potential of Janus gamma-Pb2XY monolayers as promising candidates for high-temperature thermoelectric applications and open up exciting avenues for further exploration of these novel two-dimensional materials in energy-related technologies. (AU) | |
| Processo FAPESP: | 20/01144-0 - Propriedades eletrônicas, estruturais dos compostos ABO4 (A = Ba, Ca, Cd, Sr e Pb e M = Mo e W) e modelagem das transformações morfológicas de suas nanopartículas |
| Beneficiário: | José Artigas dos Santos Laranjeira |
| Modalidade de apoio: | Bolsas no Brasil - Mestrado |
| Processo FAPESP: | 19/08928-9 - Modelagem e Simulações da Funcionalização de Nanotubos Porosos Inorgânicos |
| Beneficiário: | Julio Ricardo Sambrano |
| Modalidade de apoio: | Auxílio à Pesquisa - Regular |
| Processo FAPESP: | 22/03959-6 - Estruturas bidimensionais para armazenamento de energia e sensores de gases: a teoria direcionada a experimentalistas e para a divulgação científica |
| Beneficiário: | Julio Ricardo Sambrano |
| Modalidade de apoio: | Auxílio à Pesquisa - Regular |
| Processo FAPESP: | 13/07296-2 - CDMF - Centro de Desenvolvimento de Materiais Funcionais |
| Beneficiário: | Elson Longo da Silva |
| Modalidade de apoio: | Auxílio à Pesquisa - Centros de Pesquisa, Inovação e Difusão - CEPIDs |