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

Grant number: 17/05822-0
Support type:Scholarships in Brazil - Scientific Initiation
Effective date (Start): July 01, 2017
Effective date (End): June 30, 2018
Field of knowledge:Physical Sciences and Mathematics - Physics
Principal Investigator:Douglas Soares Galvão
Grantee:Giuseppe Tinti Tomio
Home 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)