Journal
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES
Volume 120, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.physe.2020.114045
Keywords
Hexagonal boron nitride nanosheets; Nanoelectromechanical systems; Fluoride and hydrogen doping; Electrical properties; Interlayer friction
Funding
- National Natural Science Foundation of China [51875550, 51872166]
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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.
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