| Texto completo | |
| Autor(es): |
Felix, Isaac M.
;
Andrade, Fabiano M.
;
Woellner, Cristiano F.
;
Galvao, Douglas S.
;
Tromer, Raphael M.
Número total de Autores: 5
|
| Tipo de documento: | Artigo Científico |
| Fonte: | Chemical Physics Letters; v. 856, p. 6-pg., 2024-09-10. |
| Resumo | |
We used DFT simulations to study the electronic and optical properties of a 2D crystal called 2D DiboronPorphyrin (2DDP). Our results show that strain can tune 2DDP's electronic properties from semiconducting to metallic, depending on strain direction. The unstrained system has a 0.6 eV band gap, which increases with strain perpendicular to the B-B bond, while parallel strain induces metallic behavior. Additionally, 2DDP's optical activity spans from infrared to ultraviolet and can be strain-tuned, highlighting its potential for electro-opto-mechanical applications. (AU) | |
| Processo FAPESP: | 13/08293-7 - CECC - Centro de Engenharia e Ciências Computacionais |
| Beneficiário: | Munir Salomao Skaf |
| Modalidade de apoio: | Auxílio à Pesquisa - Centros de Pesquisa, Inovação e Difusão - CEPIDs |