Electrochemical intercalation of atomically thin 1D van der Waals MoS<sub>2</sub>

Bulletin of the American Physical Society

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APS March Meeting 2022

Volume 67, Number 3

Monday–Friday, March 14–18, 2022; Chicago

Session M57: Properties of Nanostructures and Nanowires

8:00 AM–11:00 AM, Wednesday, March 16, 2022
Room: Hyatt Regency Hotel -Clark

Sponsoring Unit: DCMP
Chair: Hung-Yu Yang, Boston College

Abstract: M57.00013 : Electrochemical intercalation of atomically thin 1D van der Waals MoS₂

10:24 AM–10:36 AM

Abstract

Presenter:

Chinedu E Ekuma
(Department of Physics, Lehigh University, Bethlehem, PA 18015)

Authors:

Chinedu E Ekuma
(Department of Physics, Lehigh University, Bethlehem, PA 18015)

Srinivas Rangarajan
(Department of Chemical & Biomolecular Engineering, Lehigh University, Bethlehem, PA 18015)

Sina Najmaei
(U.S. Army Research Laboratory, Adelphi Laboratory Center, Adelphi, MD 20783)

Zhong-Li Liu
(School of Materials Science and Engineering, Harbin Institute of Technology, Harbin, China)

Rong Xiang
(Department of Mechanical Engineering, The University of Tokyo, Tokyo, Japan)

Madan Dubey
(U.S. Army Research Laboratory, Adelphi Laboratory Center, Adelphi, MD 20783)

Elsa Reichmanis
(Department of Chemical & Biomolecular Engineering, Lehigh University, Bethlehem, PA 18015)

Electrochemical doping provides a robust means to improve and efficiently control carrier dynamics in materials. Here, we design coaxially wrapped single-layer 2D-based (1D van der Waals) MoS₂ with (8,8) chirality index. We exploit the intrinsic hollow structure to engineer new physics through electrochemical intercalation with atoms of Li and zero-valent Cu atoms. Our first-principles modeling based on the hybrid functional show that (8,8) 1D vdW MoS₂ is a semiconductor with a bandgap E_g~1.27 eV and work function Φ~5.67 eV. Both the intercalants electrostatically doped the host and showed n-type conductivity, which is consistent with the lowering of the work function ΔΦ~0.78 eV (0.30 eV) in the Li (Cu) doped sample. While zero-valent Cu led to a reduction of E_g~0.43 eV and unpolarized ground state, Li intercalation manifested a magnetic ground state with a magnetic moment μ~0.81 μ_B.

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Bulletin of the American Physical Society

APS March Meeting 2022

Volume 67, Number 3

Monday–Friday, March 14–18, 2022; Chicago

Session M57: Properties of Nanostructures and Nanowires

Abstract: M57.00013 : Electrochemical intercalation of atomically thin 1D van der Waals MoS2

Presenter:

Authors:

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Abstract: M57.00013 : Electrochemical intercalation of atomically thin 1D van der Waals MoS₂