Fig. 4: Lattice contraction due to the substitution of S atoms by O atoms. | Nature Communications

Fig. 4: Lattice contraction due to the substitution of S atoms by O atoms.

From: Unexpected doping effects on phonon transport in quasi-one-dimensional van der Waals crystal TiS3 nanoribbons

Fig. 4: Lattice contraction due to the substitution of S atoms by O atoms.The alternative text for this image may have been generated using AI.

a The variations of Young’s modulus E with the lattice contraction rate. The rectangle points represent the data measured by AFM, while the triangle points are predicted from the first-principles calculations. The measured thermal conductivity data are also plotted with circle points while their values are labeled in the right vertical axis. The error bars in thermal conductivity represent uncertainties evaluated based on measurement errors in thermal conductance, nanowire cross-section and length (see Supplementary Note 6). The error bars in Young’s modulus represent uncertainties calculated based on measurement errors in the AFM cantilever spring constant, nanowire cross-section and length determined as the standard deviation from three individual measurements. b The nanoribbon thickness-dependent O atom concentration measured with the EDS. The inset in (b) shows the intensity of O atoms for TiS3 nanoribbons with different thicknesses. The error bars indicate the deviations from the integration of O peak obtained from EDS mapping. c The dependence of lattice contraction rate on O atom concentration from first-principles calculations and TEM measurements. The error bars are from the variations among several individual measurements (see Supplementary Note 6). df XPS spectra of O 1s, Ti 2p, and S 2p levels in O-doped TiS3, respectively.

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