Kinetic modeling and iso-conversional analysis of glass-ceramics of selenium doped with carbon nanomaterials

Abstract This study addresses a gap in understanding the impact of carbon nanomaterial doping on the crystallization kinetics of selenium glass, particularly when utilizing model-free iso-conversional methods. Previous research has explored the properties of elemental selenium; however, the role of dopants like multiwall carbon nanotubes (MWCNTs) and graphene in altering glass-to-crystal phase transitions at non-isothermal conditions has not been thoroughly analyzed. In the context of selenium glass crystallization, multiwall carbon nanotubes (MWCNTs), and graphene may alter the crystal growth kinetics significantly during glass/crystal phase transformation. Keeping in mind these facts, the present endeavor focuses on analyzing the doping effect of MWCNT and Graphene on the non-isothermal kinetic reaction mechanism of Selenium measured with differential scanning calorimetry (DSC) at different heating rates. The model-free relations such as Kissinger-Akahira-Sunose (KAS), Flynn-Wall-Ozawa (FWO), Tang, and Straink methods were applied using iso-conversional approach for determining the activation energy of amorphous to crystalline transformation as well as the Avrami index. Iso-conversional study yields adequate activation energy as a function of the conversion coefficient. We have observed the decreasing behavior of E c ( α ) along with the extent of crystallization of four iso-conversional methods. The kinetic triplet parameters (i.e., activation energy E α , rate constant K α , and order parameter n α ) have been calculated using the VHR method derived from the Johnson–Mehl–Avrami (JMA) rate equation. The value of ‘n’ is reduced with the rise in the value of the extent of conversion α which indicates the reduction in the growth rate of crystallization because of its saturation. This study provides novel insights into the thermal stability and kinetic mechanisms within doped selenium glass-ceramics, expanding the potential applications of chalcogenide glasses in phase-change memory and other fields.