Carrier Transport in Colloidal Quantum Dot Intermediate Band Solar Cell Materials Using Network Science

Int J Mol Sci. 2023 Feb 14;24(4):3797. doi: 10.3390/ijms24043797.

Abstract

Colloidal quantum dots (CQDs) have been proposed to obtain intermediate band (IB) materials. The IB solar cell can absorb sub-band-gap photons via an isolated IB within the gap, generating extra electron-hole pairs that increase the current without degrading the voltage, as has been demonstrated experimentally for real cells. In this paper, we model the electron hopping transport (HT) as a network embedded in space and energy so that a node represents the first excited electron state localized in a CQD while a link encodes the Miller-Abrahams (MA) hopping rate for the electron to hop from one node (=state) to another, forming an "electron-HT network". Similarly, we model the hole-HT system as a network so that a node encodes the first hole state localized in a CQD while a link represents the MA hopping rate for the hole to hop between nodes, leading to a "hole-HT network". The associated network Laplacian matrices allow for studying carrier dynamics in both networks. Our simulations suggest that reducing both the carrier effective mass in the ligand and the inter-dot distance increases HT efficiency. We have found a design constraint: It is necessary for the average barrier height to be larger than the energetic disorder to not degrade intra-band absorption.

Keywords: colloidal quantum dots; complex networks; hopping transport; intermediate band solar cell; space-energy embedded networks.