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.

Daniele Scirè, Paul Procel, Antonino Gulino, Olindo Isabella, Miro Zeman, isodiana Crupi (2020). Sub-gap defect density characterization of molybdenum oxide: an annealing study for solar cell applications. NANO RESEARCH, 13(12), 3416-3424 [10.1007/s12274-020-3029-9].

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

Daniele Scirè
;
isodiana Crupi
2020-01-01

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.
Settore ING-INF/01 - Elettronica
Daniele Scirè, Paul Procel, Antonino Gulino, Olindo Isabella, Miro Zeman, isodiana Crupi (2020). Sub-gap defect density characterization of molybdenum oxide: an annealing study for solar cell applications. NANO RESEARCH, 13(12), 3416-3424 [10.1007/s12274-020-3029-9].
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/10447/430181
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