Unexpected Doping Effects on Phonon Transport in Quasi-one-dimensional Van Der Waals Crystal TiS Nanoribbons

Overview

Journal Nat Commun

Specialty Biology

Date 2023 Sep 12

PMID 37699879

Authors

Chenhan Liu

Chao Wu

Xian Yi Tan

Yi Tao

Yin Zhang

Deyu Li

Juekuan Yang

Qingyu Yan

Yunfei Chen

Affiliations

Soon will be listed here.

Abstract

Doping usually reduces lattice thermal conductivity because of enhanced phonon-impurity scattering. Here, we report unexpected doping effects on the lattice thermal conductivity of quasi-one-dimensional (quasi-1D) van der Waals (vdW) TiS nanoribbons. As the nanoribbon thickness reduces from ~80 to ~19 nm, the concentration of oxygen atoms has a monotonic increase along with a 7.4-fold enhancement in the thermal conductivity at room temperature. Through material characterizations and atomistic modellings, we find oxygen atoms diffuse more readily into thinner nanoribbons and more sulfur atoms are substituted. The doped oxygen atoms induce significant lattice contraction and coupling strength enhancement along the molecular chain direction while have little effect on vdW interactions, different from that doping atoms induce potential and structural distortions along all three-dimensional directions in 3D materials. With the enhancement of coupling strength, Young's modulus is enhanced while phonon-impurity scattering strength is suppressed, significantly improving the phonon thermal transport.

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