Advanced characterization and modelling of innovative low-dimensional materials for solar cells applications
(English) Energy transition keeps its course while new materials keep emerging promising better impact on environment. Among those materials, Q-1D chalco-halides materials using Bi and Sb, S, Se and I, Br, giving rise to wide combinations of materials. Most of them present the unique feature of a Pn...
| Author: | |
|---|---|
| Format: | doctoral thesis |
| Status: | Published version |
| Publication Date: | 2024 |
| Country: | España |
| Institution: | CBUC, CESCA |
| Repository: | TDR. Tesis Doctorales en Red |
| OAI Identifier: | oai:www.tdx.cat:10803/694261 |
| Online Access: | http://hdl.handle.net/10803/694261 https://dx.doi.org/10.5821/dissertation-2117-427974 |
| Access Level: | Open access |
| Keyword: | Àrees temàtiques de la UPC::Enginyeria electrònica 621.3 - Enginyeria elèctrica. Electrotècnia. Telecomunicacions |
| Summary: | (English) Energy transition keeps its course while new materials keep emerging promising better impact on environment. Among those materials, Q-1D chalco-halides materials using Bi and Sb, S, Se and I, Br, giving rise to wide combinations of materials. Most of them present the unique feature of a Pnma crystallographic structure allowing them to grow alongside one preferential direction, giving them optoelectronic properties highly seeked for PV applications, in particular for thin film solar cells. So far, Sb2Se3 has been the most investigated material within this class of material with an efficiency up until now of XX% in substrate configuration under AM1.5 spectrum illumination. Indeed, Sb2Se3 presenting the same crystallographic structure, is well-known within the PV community. However, despite having promising results over the past years, Sb2Se3-based solar cells reached a bottleneck in terms of efficiency. More generally, Q-1D chalco-halides materials either lack or do not have characterization data due to their recent emergence or re-emergence for some materials. This thesis will intend to address Sb2Se3 bottlenecks and present some solutions to allow Sb2Se3-based and other Q-1D chalco-halides solar cells to reach new heights through device modelling, present advanced characterization results from other Q-1D chalco-halides materials such as BiSeBr & SbSeI. Finally, the use of a novel material: Ti3C2Tx MXenes as selective contact suitable for those absorbers is also presented in this thesis. Firstly, a brief introduction of Sb2Se3 modelling parameters as well as BiSeBr & SbSeI results from by Raman spectroscopy and Time – Resolved Photoluminescence (TRPL) characterization are presented. A multi-wavelength investigation done by Raman spectroscopy coupled with novel Density Function Theory (DFT) are presented, giving information regarding the composition of the materials and the impact of the synthesis method for BiSeBr & SbSeI. Additionally, TRPL measurements highlighted the carriers’ dynamics and provide hints towards defects status of those materials. Altogether, this information helped to determine the potential of those new material as photo-absorber according to new figure of merit. Secondly, an emphasis is put on the device modelling using SCAPS-1D software and previous references to generate a qualitative model of Sb2Se3/CdS solar cells in substrate configuration to then design 2 numerical solutions to tackle the current bottlenecks experienced by the PV community. Those numerical solutions enable Sb2Se3 devices to reach 10.7% in efficiency by either implementing an ultrathin Al2O3 oxide intercalated between Sb2Se3 and CdS or operating a partial surface sulfurization on Sb2Se3 layer. Then, a simplified structure including only BiSeBr and 2 selective contacts was generated to pinpoint requirements from an electrical point of view. Although, due to software limitations, optical consideration is lacking to determine accurately suitable selective contacts, first approximations were determined through those simulations. Lastly, we develop the use of another novel material: MXenes Ti3C2Tx as a potential selective contact for Sb2Se3-based solar cells. Besides their wide range of deposition techniques and application, MXenes properties can be modulated alongside their synthesis. Initially, we perform materials characterization through Raman spectroscopy and X-Rays Diffraction (XRD) while changing intercalating agent and post deposition treatment (PDT) parameters to highlight this modulating feature. Then, we synthetized devices with Ti3C2Tx as hole transport layer (HTL) and Sb2Se3 as absorber. To improve carrier extraction, Se was incorporated on Ti3C2Tx layer under different PDT configurations. While PV performances were still poor compared to reference device without Ti3C2Tx some parameters presented some improvements upon Se incorporation onto Ti3C2Tx surface. |
|---|