<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">A.K.M. Pinto</style></author><author><style face="normal" font="default" size="100%">J.M. Pontes</style></author><author><style face="normal" font="default" size="100%">Matos, Matheus J. S.</style></author><author><style face="normal" font="default" size="100%">Mazzoni, Mario S. C.</style></author><author><style face="normal" font="default" size="100%">Azevedo, S.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">BCN diamondol-like compounds: Stability trends and electronic properties</style></title><secondary-title><style face="normal" font="default" size="100%">Computational Materials Science</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">2D materials</style></keyword><keyword><style  face="normal" font="default" size="100%">BCN compounds</style></keyword><keyword><style  face="normal" font="default" size="100%">Diamane</style></keyword><keyword><style  face="normal" font="default" size="100%">Diamondol</style></keyword><keyword><style  face="normal" font="default" size="100%">Nanostructures</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2022</style></year></dates><urls><web-urls><url><style face="normal" font="default" size="100%">https://www.sciencedirect.com/science/article/pii/S0927025622004566</style></url></web-urls></urls><volume><style face="normal" font="default" size="100%">215</style></volume><pages><style face="normal" font="default" size="100%">111737</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">In this work we apply first principles calculations to investigate the stability trends of mixed boron, nitrogen and carbon diamondol-like compounds. Several distinct geometric models are tested by varying the stoichiometry and position of boron and nitrogen dopants. We verify the special stability of a complete boron nitride compound – the bonitrol –, and we show that carbon substitutions in the bonitrol structure may also lead to stable systems. The electronic characterization of the resulting compounds indicates a rich phenomenology, with metallic, semimetallic, half-metallic and semiconducting behaviors.</style></abstract></record></records></xml>