Exploration of Unique Bi-Dimensional Architectures: Unveiling Structural, Mechanical, and Transport Characteristics Beyond the Scope of van der Waals solids

• Grant number: 24/11016-0
• Support Opportunities: Scholarships in Brazil - Support Program for Fixating Young Doctors
• Start date: August 01, 2024
• End date: July 31, 2025
• Field of knowledge: Physical Sciences and Mathematics - Physics - Condensed Matter Physics
• Agreement: CNPq
• Principal Investigator: Douglas Soares Galvão
• Grantee: Bruno Bueno Ipaves Nascimento
• Host Institution: Instituto de Física Gleb Wataghin (IFGW). Universidade Estadual de Campinas (UNICAMP). Campinas , SP, Brazil
• Associated research grant: 24/02253-8 - Exploration of Unique Bi-Dimensional Architectures: Unveiling Structural, Mechanical, and Transport Characteristics Beyond the Scope of van der Waals solids, AP.R

Abstract

The advent of graphene created a revolution in science, including several areas (physics, chemistry, materials science, etc.), and allowed the experimental realization/discovery of new materials with potential applications in important areas (renewable energies, sensors, environmental remediation, etc.). Due to the large number of possible/available materials, a computational approach to select good candidates for specific applications is very important. In this Project, we intend to investigate the structural, electronic, and mechanical properties of selected families of nanostructures. We intend to investigate classes of structures related to the recently experimentally realized new 2D structures, such as the hematene (obtained from 3D hematite), the so-called non-van der Waals solids. We intend to use well-established methodologies (DFT, quantum, and classical molecular dynamics). We also intend to use artificial intelligence methods to select the best candidates for specific applications. (AU)

Scientific publications

(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)

RAJEEV, KARTHIK; IPAVES, BRUNO; DE OLIVEIRA, CAIQUE CAMPOS; RAMAN, SREERAM PUNATHIL; KAR, SWASTIK; GALVAO, DOUGLAS; AUTRETO, PEDRO ALVES DA SILVA; TIWARY, CHANDRA SEKHAR. Enhanced Non-Invasive Radio Frequency Heating Using 2D Pyrite (Pyritene). SMALL METHODS, v. N/A, p. 13-pg., 2025-02-05. (13/08293-7, 24/11016-0, 24/11376-6)