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Peculiar bonding associated with atomic doping and hidden honeycombs in borophene
2018
Physical review B
Engineering atomic-scale structures allows great manipulation of physical properties and chemical processes for advanced technology. We show that the B atoms deployed at the centers of honeycombs in boron sheets, borophene, behave as nearly perfect electron donors for filling the graphitic σ bonding states without forming additional in-plane bonds by first-principles calculations. The dilute electron density distribution owing to the weak bonding surrounding the center atoms provides easier
doi:10.1103/physrevb.97.075430
fatcat:p7mv2idcl5ctbis2lrb4vieulq