Open AccessAb initio simulation of functionalized β12 borophene
Author(s) -
Cristian Mafra Ledur,
Marcella Wayss Darold,
Eduardo Gündel,
Solange Binotto Fagan
Publication year - 2020
Publication title -
disciplinarum scientia. série ciências naturais e tecnológicas
Language(s) - Uncategorized
Resource type - Journals
eISSN - 2176-462X
pISSN - 1981-2841
DOI - 10.37779/nt.v21i3.3570
Subject(s) - borophene , ab initio , density functional theory , materials science , boron , doping , nanomaterials , electronic structure , chemical physics , adsorption , surface modification , nanotechnology , computational chemistry , ab initio quantum chemistry methods , carbon fibers , chemistry , molecule , organic chemistry , composite number , optoelectronics , composite material