New materials from the MXenes family applied to Li, Na and K-based batteries

• Grant number: 24/22897-7
• Support Opportunities: Scholarships in Brazil - Master
• Start date: September 01, 2025
• End date: February 28, 2027
• Field of knowledge: Engineering - Materials and Metallurgical Engineering - Nonmetallic Materials
• Principal Investigator: Julio Ricardo Sambrano
• Grantee: Fredy Mamani Gonzalo
• Host Institution: Faculdade de Ciências (FC). Universidade Estadual Paulista (UNESP). Campus de Bauru. Bauru , SP, Brazil
• Associated research grant: 13/07296-2 - CDMF - Center for the Development of Functional Materials, AP.CEPID

Abstract

Population growth and technological advances have generated a growing demand for clean energysources and efficient storage systems, driven by the use of portable electronic devices and theincrease in electric vehicles, especially in South America. Lithium-ion batteries (LiB) have been animportant alternative to lead batteries, but sodium (Na) and potassium (K) batteries promise torevolutionise the sector even further, as they are more sustainable, recyclable and have lowerproduction costs. In this scenario, two-dimensional (2D) materials such as MXenes stand out due totheir accessible synthesis, flexibility and high capacity to interact with ions, metals and molecules.This study aims to investigate the potential of MXenes (ZrNbC) as electrodes in Li, Na and Kbatteries, using simulations based on density functional theory (DFT). The research will focus onevaluating ion storage capacity and diffusion efficiency in order to compare the performance of thesematerials with conventional battery technologies. The project's scientific contributions includeadvancing the understanding of MXenes as battery materials, developing predictive models andproposing new approaches to energy storage with the aim of improving the efficiency andsustainability of battery technologies. (AU)