@article {PINTO2022111737,
	title = {BCN diamondol-like compounds: Stability trends and electronic properties},
	journal = {Computational Materials Science},
	volume = {215},
	year = {2022},
	pages = {111737},
	abstract = {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 {\textendash} the bonitrol {\textendash}, 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.},
	keywords = {2D materials, BCN compounds, Diamane, Diamondol, Nanostructures},
	issn = {0927-0256},
	doi = {https://doi.org/10.1016/j.commatsci.2022.111737},
	url = {https://www.sciencedirect.com/science/article/pii/S0927025622004566},
	author = {A.K.M. Pinto and J.M. Pontes and Matos, Matheus J. S. and Mazzoni, Mario S. C. and Azevedo, S.}
}
