Regulating the electrical conductivity of hexagonal boron nitride nanosheets with excellent tribological performance for micro and nano electromechanical system applications

The outstanding electrical insulativity greatly restricts the applications of hexagonal boron nitride nanosheets (h-BNNSs) in semiconductive or conductive micro and nano electromechanical systems (M/NEMSs). Therefore, regulating the electrical conductivity of h-BNNSs becomes critical for their applications in semiconductive or conductive M/NEMSs. In this report, a facile and effective method via introduction of F and H atoms to regulate the electrical conductivity of h-BNNS bilayers is proposed based on first-principle calculations within the framework of density functional theory. The geometry and electronic density of states of F and H codoped h-BNNS bilayers are systematically investigated. The results demonstrate that F and H atoms can strongly bind to h-BNNSs realizing the conversion of h-BNNSs from insulator to semiconductor or conductor. More importantly, due to the electron redistribution induced by the introduction of F and H atoms, the doped h-BNNS bilayers exhibit very low interlayer friction under a certain compressive interlayer spacing. These F and H codoped h-BNNS bilayers with improved electrical conductivity, high structural stability, lower interlayer friction and higher load-bearing capacity will bring prosperous applications of h-BNNSs in semiconductive or conductive M/NEMSs.