Sub-gap defect density characterization of molybdenum oxide: an annealing study for solar cell applications

Isodiana Crupi, Daniele Scire', Olindo Isabella, Paul Procel, Daniele Scirè, Antonino Gulino, Miro Zeman

Research output: Contribution to journalArticlepeer-review

2 Citations (Scopus)


The application of molybdenum oxide in the photovoltaic field is gaining traction as this material can be deployed in doping-free heterojunction solar cells in the role of hole selective contact. For modeling-based optimization of such contact, knowledge of the molybdenum oxide defect density of states (DOS) is crucial. In this paper, we report a method to extract the defect density through nondestructive optical measures, including the contribution given by small polaron optical transitions. The presence of defects related to oxygen-vacancy and of polaron is supported by the results of our opto-electrical characterizations along with the evaluation of previous observations. As part of the study, molybdenum oxide samples have been evaluated after post-deposition thermal treatments. Quantitative results are in agreement with the result of density functional theory showing the presence of a defect band fixed at 1.1 eV below the conduction band edge of the oxide. Moreover, the distribution of defects is affected by post-deposition treatment.
Original languageEnglish
Pages (from-to)3416-3424
Number of pages9
JournalNano Research
Publication statusPublished - 2020

All Science Journal Classification (ASJC) codes

  • General Materials Science
  • Electrical and Electronic Engineering

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