Design of bidimensional carbon and nitrogen-based structures using genetic algorithms

• Grant number: 17/05822-0
• Support Opportunities: Scholarships in Brazil - Scientific Initiation
• Start date: July 01, 2017
• End date: June 30, 2018
• Field of knowledge: Physical Sciences and Mathematics - Physics - Condensed Matter Physics
• Principal Investigator: Douglas Soares Galvão
• Grantee: Giuseppe Tinti Tomio
• Host Institution: Instituto de Física Gleb Wataghin (IFGW). Universidade Estadual de Campinas (UNICAMP). Campinas , SP, Brazil
• Associated research grant: 13/08293-7 - CCES - Center for Computational Engineering and Sciences, AP.CEPID

Abstract

In this project we intend to use genetic algorithms coupled to tight binding hamiltonians to design and optimize electronic properties of two-dimensional carbon and nitrogen based structures. In particular we will investigate how the content and spatial distribution of nitrogen atoms affect the electronic bandgap values. (AU)