Design and simulation of type-I graphene/Si quantum dot superlattice for intermediate-band solar cell applications

Abstract

Recent experiments suggest graphene-based materials as candidates for use in future electronic and optoelectronic devices. In this study, we propose a new multilayer quantum dot (QD) superlattice (SL) structure with graphene as the core and silicon (Si) as the shell of QD. The Slater–Koster tight-binding method based on Bloch theory is exploited to investigate the band structure and energy states of the graphene/Si QD. Results reveal that the graphene/Si QD is a type-I QD and the ground state is 0.6 eV above the valance band. The results also suggest that the graphene/Si QD can be potentially used to create a sub-bandgap in all Si-based intermediate-band solar cells (IBSC). The energy level hybridization in a SL of graphene/Si QDs is investigated and it is observed that the mini-band formation is under the influence of inter-dot spacing among QDs. To evaluate the impact of the graphene/Si QD SL on the performance of Si-based solar cells, we design an IBSC based on the graphene/Si QD (QDIBSC) and calculate its short-circuit current density (Jsc) and carrier generation rate (G) using the 2D finite difference time domain (FDTD) method. In comparison with the standard Si-based solar cell which records Jsc = 16.9067 mA/cm2 and G = 1.48943 × 1028 m−3⋅s−1, the graphene/Si QD IBSC with 2 layers of QDs presents Jsc = 36.4193 mA/cm2 and G = 7.94192 × 1028 m−3⋅s−1, offering considerable improvement. Finally, the effects of the number of QD layers (L) and the height of QD (H) on the performance of the graphene/Si QD IBSC are discussed. Graphical abstract

Recent progress and opportunities in 2D-material quantum dots: synthesis, doping, characterization, and applications

“…The core/shell structure quantum dots of graphene/Si have been modeled using Atomistix-toolkit (ATK) and Lumerical software for determining the electronic structure and solar cell characteristics (current density and charge carrier generation), respectively. The importance of incorporating the quantum dots to enhance the performance has been studied [132]. Additionally, the Silvaco TCAD tool has been implemented to analyze the performance of quantum dots-based solar cells.…”