Graphite as an organic gas sensor

• Grant number: 22/16219-0
• Support Opportunities: Scholarships in Brazil - Scientific Initiation
• Start date: March 01, 2023
• End date: December 31, 2023
• Field of knowledge: Physical Sciences and Mathematics - Chemistry - Physical-Chemistry
• Principal Investigator: Elson Longo da Silva
• Grantee: Isabelle Leão Gomes
• Host Institution: Centro de Ciências Exatas e de Tecnologia (CCET). Universidade Federal de São Carlos (UFSCAR). São Carlos , SP, Brazil
• Associated research grant: 13/07296-2 - CDMF - Center for the Development of Functional Materials, AP.CEPID

Abstract

Technological advances in the area of nanosensors have increased due to the industrial demand, so that materials whose properties and functions can be manipulated through the controlled application of light or electrons have been widely explored. Graphite, a carbon nanostructure with several superior electronic, physical, optical and magnetic properties, as well as other carbon-based nanomaterials, is the subject of several studies with applications in bioimaging, photocatalysis, solar cells, energy storage, and conversion, drugs and nanomedicine delivery, as well as detection (chemistry and bio-sensing). Despite having several properties, there are few studies on its interaction mechanism with organic molecules, mainly regarding its sensor activity. The development of models, using theoretical and computational chemistry, proves to be a powerful tool for the detailed study of materials and their applications. Thus, given its potential in the area of developing highly sensitive sensors, the present work aims to carry out a theoretical study of the adsorption of organic gases of interest, such as acetone, methanol and ethanol, with the (001) surface of the graphite, in order to propose a mechanism of the sensing activity of this material, corroborating with the experimental results obtained by the group.