| Full text | |
| Author(s): |
Marinho Jr, Enesio
;
Villegas, Cesar E. P.
;
Venezuela, Pedro
;
Rocha, Alexandre R.
Total Authors: 4
|
| Document type: | Journal article |
| Source: | ACS APPLIED ENERGY MATERIALS; v. 7, n. 3, p. 9-pg., 2024-01-19. |
| Abstract | |
Transition metal dichalcogenides (TMDCs) have garnered significant interest in optoelectronics, owing to their scalability and thickness-dependent electrical and optical properties. In particular, thin films of TMDCs can be used in photovoltaic devices. In this work, we employ ab initio many-body perturbation theory within the G(0)W(0)-BSE approach to accurately compute the optoelectronic properties of thin films of 2H-TMDCs composed of Mo, W, S, and Se. Subsequently, we evaluate their photovoltaic performance, including exciton recombination effects, and show that this is a key ingredient. We obtain efficiencies of up to 29% for a 200 nm thick film of WSe2, thus providing an upper limit. We also include other phenomenological recombination mechanisms that could be present in the current samples. This slightly reduces efficiencies, indicating that even with current synthesis technologies, there is still potential for further enhancement of TMDCs' performance in photovoltaic applications. (AU) | |
| FAPESP's process: | 20/13172-8 - Temperature dependence of band gap in hybrid perovskites: a first-principles study |
| Grantee: | Enesio Marinho da Silva Jr |
| Support Opportunities: | Scholarships in Brazil - Post-Doctoral |
| FAPESP's process: | 17/02317-2 - Interfaces in materials: electronic, magnetic, structural and transport properties |
| Grantee: | Adalberto Fazzio |
| Support Opportunities: | Research Projects - Thematic Grants |