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Research Article | Open Access

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

Daniele Scirè1,2( ), Paul Procel2, Antonino Gulino3, Olindo Isabella2, Miro Zeman2, Isodiana Crupi1
Department of Engineering, University of Palermo, Palermo 90128, Italy
Photovoltaic Materials and Devices group, Delft University of Technology, Delft 2628 CD, The Netherlands
Department of Chemical Sciences, University of Catania, Catania 95125, Italy
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An erratum to this article is available online at:
https://doi.org/10.1007/s12274-022-4222-9

Graphical Abstract

Abstract

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.

Keywords

molybdenum oxidedensity of statespolaron theorysilicon heterojunction solar cell

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Nano Research
Volume 13 Issue 12,
December 2020
Pages 3416-3424
DOI: 10.1007/s12274-020-3029-9
Cite this article:
Scirè D, Procel P, Gulino A, et al. Sub-gap defect density characterization of molybdenum oxide: An annealing study for solar cell applications. Nano Research, 2020, 13(12): 3416-3424. https://doi.org/10.1007/s12274-020-3029-9
Topics:
Density functional theoryHeterojunctionsMolybdenum oxideSol-cells

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Received: 17 June 2020
Revised: 02 August 2020
Accepted: 03 August 2020
Published: 02 September 2020
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