1.
Perim Martins, Eric; Paupitz, Ricardo; Autreto, Pedro Alves da Silva; Galvao, Douglas Soares
Inorganic Graphenylene: A Porous Two-Dimensional Material with Tunable Band Gap Journal Article
Em: The Journal of Physical Chemistry C, vol. 118, não 41, pp. 23670–23674, 2014.
@article{perim2014inorganic,
title = {Inorganic Graphenylene: A Porous Two-Dimensional Material with Tunable Band Gap},
author = {Perim Martins, Eric and Paupitz, Ricardo and Autreto, Pedro Alves da Silva and Galvao, Douglas Soares},
url = {http://pubs.acs.org/doi/abs/10.1021/jp502119y},
year = {2014},
date = {2014-01-01},
journal = {The Journal of Physical Chemistry C},
volume = {118},
number = {41},
pages = {23670–23674},
publisher = {American Chemical Society},
abstract = {By means of ab initio calculations, we investigate the possibility of existence of a boron nitride (BN) porous two-dimensional nanosheet, which is geometrically similar to the carbon allotrope known as biphenylene carbon. The proposed structure, which we called inorganic graphenylene (IGP), is formed spontaneously after selective dehydrogenation of the porous boron nitride (BN) structure proposed by Ding et al. We study the structural and electronic properties of both porous BN and IGP, and it is shown that, by selective substitution of B and N atoms with carbon atoms in these structures, the band gap can be significantly reduced, changing their behavior from insulators to semiconductors, thus opening the possibility of band gap engineering for this class of two-dimensional materials.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
By means of ab initio calculations, we investigate the possibility of existence of a boron nitride (BN) porous two-dimensional nanosheet, which is geometrically similar to the carbon allotrope known as biphenylene carbon. The proposed structure, which we called inorganic graphenylene (IGP), is formed spontaneously after selective dehydrogenation of the porous boron nitride (BN) structure proposed by Ding et al. We study the structural and electronic properties of both porous BN and IGP, and it is shown that, by selective substitution of B and N atoms with carbon atoms in these structures, the band gap can be significantly reduced, changing their behavior from insulators to semiconductors, thus opening the possibility of band gap engineering for this class of two-dimensional materials.
2014
1.
Perim Martins, Eric; Paupitz, Ricardo; Autreto, Pedro Alves da Silva; Galvao, Douglas Soares
Inorganic Graphenylene: A Porous Two-Dimensional Material with Tunable Band Gap Journal Article
Em: The Journal of Physical Chemistry C, vol. 118, não 41, pp. 23670–23674, 2014.
Resumo | Links | BibTeX | Tags: boron nitride, molecular dynamics, porous graphene
@article{perim2014inorganic,
title = {Inorganic Graphenylene: A Porous Two-Dimensional Material with Tunable Band Gap},
author = {Perim Martins, Eric and Paupitz, Ricardo and Autreto, Pedro Alves da Silva and Galvao, Douglas Soares},
url = {http://pubs.acs.org/doi/abs/10.1021/jp502119y},
year = {2014},
date = {2014-01-01},
journal = {The Journal of Physical Chemistry C},
volume = {118},
number = {41},
pages = {23670–23674},
publisher = {American Chemical Society},
abstract = {By means of ab initio calculations, we investigate the possibility of existence of a boron nitride (BN) porous two-dimensional nanosheet, which is geometrically similar to the carbon allotrope known as biphenylene carbon. The proposed structure, which we called inorganic graphenylene (IGP), is formed spontaneously after selective dehydrogenation of the porous boron nitride (BN) structure proposed by Ding et al. We study the structural and electronic properties of both porous BN and IGP, and it is shown that, by selective substitution of B and N atoms with carbon atoms in these structures, the band gap can be significantly reduced, changing their behavior from insulators to semiconductors, thus opening the possibility of band gap engineering for this class of two-dimensional materials.},
keywords = {boron nitride, molecular dynamics, porous graphene},
pubstate = {published},
tppubtype = {article}
}
By means of ab initio calculations, we investigate the possibility of existence of a boron nitride (BN) porous two-dimensional nanosheet, which is geometrically similar to the carbon allotrope known as biphenylene carbon. The proposed structure, which we called inorganic graphenylene (IGP), is formed spontaneously after selective dehydrogenation of the porous boron nitride (BN) structure proposed by Ding et al. We study the structural and electronic properties of both porous BN and IGP, and it is shown that, by selective substitution of B and N atoms with carbon atoms in these structures, the band gap can be significantly reduced, changing their behavior from insulators to semiconductors, thus opening the possibility of band gap engineering for this class of two-dimensional materials.
