Taoufik Sakhraoui a František Karlický publikovali nový článek!

Unveiling the magnetic behavior of C₃N₄ 2D material by defect creation, defect passivation, and transition metal adsorption Odkaz zde: https://doi.org/10.1007/s10853-025-11399-z Abstrakt: Using the density functional tight binding method (DFTB) and the GFN1-xTB (geometries, frequencies, and noncovalent interactions tight binding) Hamiltonian, we have investigated the structural, electronic, and magnetic properties of vacancy defects, hydrogen- and oxygen-passivated…