Optimization of the hydrogen response characteristics of halogen-doped SnO 2

Petros-Panagis Filippatos; Rohit Sharma; Anastasia Soultati; Nikolaos Kelaidis; Christos Petaroudis; Anastasia-Antonia Alivisatou; Charalampos Drivas; Stella Kennou; Stavros-Richard G. Christopoulos; Dimitris Davazoglou; Maria Vasilopoulou; Alexander Chroneos

doi:10.1038/s41598-023-29312-6

Optimization of the hydrogen response characteristics of halogen-doped SnO 2

Petros-Panagis Filippatos, Rohit Sharma, Anastasia Soultati, Nikolaos Kelaidis, Christos Petaroudis, Anastasia-Antonia Alivisatou, Charalampos Drivas, Stella Kennou, Stavros-Richard G. Christopoulos, Dimitris Davazoglou, Maria Vasilopoulou, Alexander Chroneos

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Abstract

The increasing demand for efficient sensing devices with facile low-cost fabrication has attracted a lot of scientific research effort in the recent years. In particular, the scientific community aims to develop new candidate materials suitable for energy-related devices, such as sensors and photovoltaics or clean energy applications such as hydrogen production. One of the most prominent methods to improve materials functionality and performance is doping key device component(s). This paper aims to examine in detail, both from a theoretical and an experimental point of view, the effect of halogen doping on the properties of tin dioxide (SnO2) and provide a deeper understanding on the atomic scale mechanisms with respect to their potential applications in sensors. Density Functional Theory (DFT) calculations are used to examine the defect processes, the electronic structure and the thermodynamical properties of halogen-doped SnO2. Calculations show that halogen doping reduces the oxide bandgap by creating gap states which agree well with our experimental data. The crystallinity and morphology of the samples is also altered. The synergy of these effects results in a significant improvement of the gas-sensing response. This work demonstrates for the first time a complete theoretical and experimental characterization of halogen-doped SnO2 and investigates the possible responsible mechanisms. Our results illustrate that halogen doping is a low-cost method that significantly enhances the room temperature response of SnO2.

Original language	English
Article number	2524
Number of pages	13
Journal	Scientific Reports
Volume	13
Issue number	1
Early online date	13 Feb 2023
DOIs	https://doi.org/10.1038/s41598-023-29312-6
Publication status	E-pub ahead of print - 13 Feb 2023

Bibliographical note

This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/.

Keywords

Chemistry
Engineering
Materials science
Physics

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Filippatos, P.-P., Sharma, R., Soultati, A., Kelaidis, N., Petaroudis, C., Alivisatou, A.-A., Drivas, C., Kennou, S., Christopoulos, S.-R. G., Davazoglou, D., Vasilopoulou, M., & Chroneos, A. (2023). Optimization of the hydrogen response characteristics of halogen-doped SnO 2. Scientific Reports, 13(1), Article 2524. Advance online publication. https://doi.org/10.1038/s41598-023-29312-6

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Optimization of the hydrogen response characteristics of halogen-doped SnO 2

Abstract

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