Determining and Controlling the Stoichiometry of Cu2ZnSnS4 Photovoltaics: The Physics and Its Implications

Kuang Yu, Emily A. Carter

Research output: Contribution to journalArticlepeer-review

19 Scopus citations

Abstract

Cu2ZnSnS4 (CZTS) is an environmentally friendly photovoltaic material with promising applications in thin-film solar cells. Although CZTS's efficiency is currently too low, stoichiometry/defect engineering presents a strategy for further improvement. As-grown CZTS is typically disordered and therefore prone to form secondary phases, making the final product stoichiometry difficult to determine and even harder to control. We use first-principles quantum mechanics in combination with Monte Carlo simulations to determine CZTS stoichiometry under various experimental conditions. We develop an approach to predicting the optimal CZTS stoichiometry, explaining the physical origin of Zn-enrichment observed in experiments. We further propose practical ways to introduce more free carriers into CZTS in order to screen observed local potential fluctuations, increase conductivity, and ultimately improve the efficiency of CZTS.

Original languageEnglish (US)
Pages (from-to)4415-4420
Number of pages6
JournalChemistry of Materials
Volume28
Issue number12
DOIs
StatePublished - Jun 28 2016

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Chemical Engineering(all)
  • Materials Chemistry

Fingerprint Dive into the research topics of 'Determining and Controlling the Stoichiometry of Cu<sub>2</sub>ZnSnS<sub>4</sub> Photovoltaics: The Physics and Its Implications'. Together they form a unique fingerprint.

Cite this