%0 Journal Article %1 WOS:000372798100009 %A Silva, F W N %A Cruz-Silva, E %A Terrones, M %A Terrones, H %A Barros, E B %C TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND %D 2016 %I IOP PUBLISHING LTD %J NANOTECHNOLOGY %K DFT; electronic molecular sensing; spintronics} structure; transport; {electronic %N 18 %R 10.1088/0957-4484/27/18/185203 %T Transport properties through hexagonal boron nitride clusters embedded in graphene nanoribbons %V 27 %X First-principles calculations are employed in the study of the electronic and quantum transport properties of hexagonally shaped boron nitride (h-BN) clusters embedded in either zigzag or armchair graphene nanoribbons. Chemical doping of the h-BN cluster was taken into consideration by using carbon atoms to replace either the boron (B24N27C3) or the nitrogen (B27N24C3) sites in the central ring. While the quantum conductance of the system with zigzag edges is found to be spin-dependent, it was observed that the system with an armchair edge requires an electron imbalance in order to show a spin-dependent conductance. Furthermore, the possibility of molecular adsorption onto these doped systems is studied. The effects of the attached molecules to the quantum conductance shows the potential of these hybrid systems for molecular sensing applications.

@article{WOS:000372798100009, abstract = {First-principles calculations are employed in the study of the electronic and quantum transport properties of hexagonally shaped boron nitride (h-BN) clusters embedded in either zigzag or armchair graphene nanoribbons. Chemical doping of the h-BN cluster was taken into consideration by using carbon atoms to replace either the boron (B24N27C3) or the nitrogen (B27N24C3) sites in the central ring. While the quantum conductance of the system with zigzag edges is found to be spin-dependent, it was observed that the system with an armchair edge requires an electron imbalance in order to show a spin-dependent conductance. Furthermore, the possibility of molecular adsorption onto these doped systems is studied. The effects of the attached molecules to the quantum conductance shows the potential of these hybrid systems for molecular sensing applications.}, added-at = {2022-05-23T20:00:14.000+0200}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, author = {Silva, F W N and Cruz-Silva, E and Terrones, M and Terrones, H and Barros, E B}, biburl = {https://www.bibsonomy.org/bibtex/2e2675ef972dca4ec0dbdc6dbc78c34ba/ppgfis_ufc_br}, doi = {10.1088/0957-4484/27/18/185203}, interhash = {33893736b49c75ef23094f2822d17b05}, intrahash = {e2675ef972dca4ec0dbdc6dbc78c34ba}, issn = {0957-4484}, journal = {NANOTECHNOLOGY}, keywords = {DFT; electronic molecular sensing; spintronics} structure; transport; {electronic}, number = 18, publisher = {IOP PUBLISHING LTD}, pubstate = {published}, timestamp = {2022-05-23T20:00:14.000+0200}, title = {Transport properties through hexagonal boron nitride clusters embedded in graphene nanoribbons}, tppubtype = {article}, volume = 27, year = 2016 }