Modulating electronic properties of carbon nanotube via constructing one-dimensional vdW heterostructures
Wenqi Lv(吕雯祺)1, Weili Li(李伟立)1, Wei Ji(季威)1,2, and Yanning Zhang(张妍宁)1,†
1 Institute of Fundamental and Frontier Sciences, Key Laboratory for Quantum Physics and Photonic Quantum Information of Ministry of Education, University of Electronic Science and Technology of China, Chengdu 610054, China; 2 Department of Physics and Beijing Key Laboratory of Optoelectronic Functional Materials and Micro-Nano Devices, Renmin University of China, Beijing 100872, China
Abstract Controlling charge polarity in the semiconducting single-walled carbon nanotubes (CNTs) by substitutional doping is a difficult work due to their extremely strong C-C bonding. In this work, an inner doping strategy is explored by filling CNTs with one-dimensional (1D)-Te nanowires to form Te@CNT-(16,0) 1D van der Waals heterostructures (1D-vdWHs). The systematic first-principles studies on the electronic properties of 1D-vdWHs show that N-type doping CNTs can be formed by charge transfer from Te nanowires to CNTs, without introducing additional carrier scattering. Particularly, contribution from both (e.g., Sc and Y) and Te atoms strengthens the charge transfer. The outside CNTs further confine the dispersion of Te-p orbitals in nanowires that deforms the C- states at the bottom of the conduction band to quasi sp hybridization. Our study provides an inner doping strategy that can effectively confine the charge polarity of CNTs and further broaden its applications in some novel nano-devices.
Wenqi Lv(吕雯祺), Weili Li(李伟立), Wei Ji(季威), and Yanning Zhang(张妍宁) Modulating electronic properties of carbon nanotube via constructing one-dimensional vdW heterostructures 2025 Chin. Phys. B 34 067303
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