Enhancement Of Coupling Strength Research Articles

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

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) TiS3 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.

Intermolecular repulsive–dispersive potentials explain properties of impurity spectra in soft solids

Abstract Behavior of optical impurity spectra in van der Waals glasses is rationalized with the aid of a two-particle Lennard–Jones model of intermolecular interactions. Simple mathematical manipulations with the 6–12 potential yield inhomogeneous distribution functions (IDFs) of zero phonon lines (ZPLs) at different compressions, and the expressions for wavelength dependent pressure shift coefficients of ZPLs (or holes), local phonon frequencies, and linear and quadratic coupling constants. Experimentally, the ZPL to phonon wing intensity ratios (Huang–Rhys or Debye–Waller factors) are measured for bacteriochlorophyll a in glass-forming triethylamine 5 K. Enhancement of coupling strength with increasing transition wavelength is observed, in qualitative agreement with the model.