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Highly Tunable Electronic Structures of Phosphorene/Carbon Nanotube Heterostructures Through External Electric Field and Atomic Intercalation Xiaoqing Kelvin Tian, Xiang-Rong Wang, Yadong Wei, Lin Liu, Zhirui Gong, Juan Gu, Yu Du, and Boris I. Yakobson Nano Lett., Just Accepted Manuscript • DOI: 10.1021/acs.nanolett.7b04562 • Publication Date (Web): 01 Dec 2017 Downloaded from http://pubs.acs.org on December 1, 2017

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Nano Letters

Highly Tunable Electronic Structures of Phosphorene/Carbon Nanotube Heterostructures Through External Electric Field and Atomic Intercalation Xiao-Qing Tian,†,‡ Xiang-Rong Wang,*,‡,§ Ya-Dong Wei,† Lin Liu,† Zhi-Rui Gong,† Juan Gu,† Yu Du,*,† and Boris I. Yakobson∥ †

College of Physics and Energy, Shenzhen University, Shenzhen 518060, Guangdong, P. R. China.



Department of Physics, The Hong Kong University of Science and Technology, Clear Water Bay,

Kowloon, Hong Kong. §

HKUST Shenzhen Research Institute, Shenzhen 518057, China.



Department of Materials Science and NanoEngineering, Department of Chemistry, and the

Smalley Institute for Nanoscale Science and Technology, Rice University, Houston, Texas 77005,United States.

Corresponding authors. E-mails: [email protected]; [email protected]. Phones: +852 23587488; +86 (755) 26530931. Faxes: +852 23581652; +86 (755) 26538735.

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ABSTRACT: Black phosphorene (BP)/carbon nanotube (CNT) heterostructures can be classified as either type I or II, depending on the size of the CNTs. An external electric field (Eext) can modulate the interfacial electronic structures and separate the electron and hole carriers of the BP/CNT heterostructures. The giant Stark effect is observed, and the band gap of the semiconducting heterostructures can vary several-fold. The intercalation of 3d transition metals can strongly bond BP and CNTs together. Furthermore, strong ferromagnetism with Curie temperature (TC) above room temperature is predicted. It is expected that these BP/CNT heterostructures will provide new opportunities and applications in the fields of optoelectronics, electronics as well as spintronics.

Keywords: Phosphorene, carbon nanotube,

heterostructure, giant Stark effect, atomic

intercalation, ferromagnetism

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Nano Letters

Black phosphorus has attracted considerable recent research interest with the demonstration of the potential of its application in field-effect transistors.1-2 Black phosphorus monolayer has a buckled honeycomb structure, and the adjacent phosphorene layers are bonded by weak van der Waals (vdW) interactions. Unlike white and red phosphorus, black phosphorus is less reactive and thermodynamically stable at temperatures below 550°C. As a mono-elemental semiconductor, monolayer phosphorene has an intrinsic band gap of 2 eV. Two-dimensional (2D) materials exhibit rich physics, and vdW interactions and heterostructures have broadened the applications of 2D materials to electronic and optoelectronic devices.3-20 One-dimensional (1D)/2D heterostructures consisting of CNTs and MoS2 have been successfully fabricated in various experiments.21 Furthermore, researchers have demonstrated that CNT/MoS2 heterostructures enable the wide tunability of charge transport from a nearly insulating state to a highly rectifying condition with forward-to-reverse bias current ratios that exceed 104. Because monolayer MoS2 is a direct band gap semiconductor, the heterostructures serve as an effective photodetector with a fast photoresponse of