Publications

Full publications can be found at Google Scholar and † represents the joint first author.

2024

  1. Vacancies Tailoring Lattice Anharmonicity of Zintl-Type Thermoelectrics , Nat. Commun., 1 (2024) 15.
  2. Amorphous-Like Ultralow Thermal Transport in Crystalline Argyrodite $\mathrm{Cu}_7\mathrm{PS}_6$ , Adv. Sci., 16 (2024) 11.
  3. Impact of Strain-Insensitive Low-Frequency Phonon Modes on Lattice Thermal Transport in $\mathrm{A}_2\mathrm{XB}_6$-type Perovskites , Phys. Rev. B, 5 (2024) 109.

2023

  1. Phonon Transport in Freestanding $\mathrm{SrTiO}_{3}$ down to the Monolayer Limit , Phys. Rev. B, 11 (2023) 108.
  2. Soft Phonon Mode Triggering Fast Ag Diffusion in Superionic Argyrodite $\mathrm{Ag}_8\mathrm{GeSe}_6$ , Small, 49 (2023) 19.

2022

  1. Role of Alloying in the Phonon and Thermal Transport of SnS-SnSe Across the Phase Transition , Mater. Today Phys., (2022) 28.
  2. Achieving High Thermoelectric Performance by $\mathrm{NaSbTe}_2$ Alloying in GeTe for Simultaneous Suppression of Ge Vacancies and Band Tailoring , Adv. Energy Mater., 3 (2022) 12.
  3. Bandgap Funneling in Bismuth-Based Hybrid Perovskite Photocatalyst with Efficient Visible-Light-Driven Hydrogen Evolution , Small Methods, 8 (2022) 6.

2021

  1. Soft-Mode Dynamics in the Ferroelectric Phase Transition of $\mathrm{GeTe}$ , Npj Comput. Mater., 1 (2021) 7.
  2. Anharmonic Lattice Dynamics of $\mathrm{SnS}$ Across Phase Transition: A Study Using High-Dimensional Neural Network Potential , Appl. Phys. Lett., 6 (2021) 119.

2020

  1. Dynamic Disorder Phonon Scattering Mediated by Cu Atomic Hopping and Diffusion in $\mathrm{Cu}_3\mathrm{SbSe}_3$ , Npj Comput. Mater., 1 (2020) 6.
  2. Highly Selective Phonon Diffusive Scattering in Superionic Layered $\mathrm{AgCrSe}_2$ , Npj Comput. Mater., 1 (2020) 6.

2018

  1. Giant Phonon Tuning Effect via Pressure-Manipulated Polar Rotation in Perovskite $\mathrm{MAPbI}_{3}$ , J. Phys. Chem. Lett., 11 (2018) 9.
  2. A Density Functional Theory Parameterised Neural Network Model of Zirconia , Mol. Simul., 8 (2018) 44.
  3. Anharmonic Lattice Dynamics of $\mathrm{BCC}$ Sodium Under High Pressures , Phys. Chem. Chem. Phys., 21 (2018) 20.
  4. Orbital Alignment for High Performance Thermoelectric $\mathrm{YbCd}_2\mathrm{Sb}_2$ Alloys , Chem. Mater., 15 (2018) 30.
  5. $\mathrm{MnTe}_2$ as a Novel Promising Thermoelectric Material , J. Materiomics, 3 (2018) 4.

2017

  1. Single Parabolic Band Transport in P-Type $\mathrm{EuZn}_2\mathrm{Sb}_2$ Thermoelectrics , J. Mater. Chem. A, 46 (2017) 5.
  2. Performance Optimization and Single Parabolic Band Behavior of Thermoelectric $\mathrm{MnTe}$ , J. Mater. Chem. A, 36 (2017) 5.