Elucidating the role of interfacial MoS 2 layer in Cu 2 ZnSnS 4 thin film solar cells by numerical analysis

M. T. Ferdaous, S. A. Shahahmadi, P. Chelvanathan, Md Akhtaruzzaman, Fahhad Alharbi, K. Sopian, S. K. Tiong, N. Amin

Research output: Contribution to journalArticle

6 Citations (Scopus)


In this study, the effects of transition metal dichalcogenide, MoS 2 interfacial layer formation between the Cu 2 ZnSnS 4 (CZTS) absorber layer and Mo back contact in a conventional CZTS thin film solar cell (TFSC) structure have been studied by numerical simulation using wxAMPS-1D software. The goal of this study is to elucidate the effects of both n and p-type MoS 2 on the overall CZTS solar cell's performance from the viewpoint of metal-semiconductor junction and heterojunction band alignment. Interestingly, CZTS device, regardless of p or n-type MoS 2 largely outperforms device without any MoS 2 due to lower back contact barrier value. Significant transition in efficiency is noticed when acceptor (increases efficiency) or donor (decreases efficiency) concentration has a transition from 10 16 cm −3 to higher concentration of 10 18 cm −3 or more. Also, effect of variable electron affinity and band gap of MoS 2 has been discussed from band alignment perspective. Generally, MoS 2 layer with lower electron affinity and band gap is preferred to induce desirable band alignment and subsequently result in higher efficiency. All-in all, the formation of p-type MoS 2 in CZTS solar cells can be tuned to improve the cell performance mainly by doping with higher acceptor doping concentration and limiting layer thickness. However, the detrimental effect of n-MoS 2 can be prevented by maintaining thinner layer in the vicinity of ∼30 nm with low to moderate donor doping (<10 16 cm −3 ).

Original languageEnglish
Pages (from-to)162-172
Number of pages11
JournalSolar Energy
Publication statusPublished - 15 Jan 2019



  • Charge carrier transports
  • Cu ZnSnS solar cells
  • MoS interfacial layer
  • Numerical analysis

ASJC Scopus subject areas

  • Renewable Energy, Sustainability and the Environment
  • Materials Science(all)

Cite this

Ferdaous, M. T., Shahahmadi, S. A., Chelvanathan, P., Akhtaruzzaman, M., Alharbi, F., Sopian, K., Tiong, S. K., & Amin, N. (2019). Elucidating the role of interfacial MoS 2 layer in Cu 2 ZnSnS 4 thin film solar cells by numerical analysis Solar Energy, 162-172. https://doi.org/10.1016/j.solener.2018.11.055