Congratulations Feng and Prof. Ping on there new publication in Journal of Materials Chemistry A!   In this work we established a first-principles framework for polaron hopping mobility in anisotropic and doped metal oxides, by combining the generalized Landau-Zener theory with kinetic Monte-Carlo sampling.  Within this method, we can obtain the hopping transfer rates that...Read More

  Charged defects in two-dimensional (2D) materials have emerging applications in quantum technologies such as quantum emitters and quantum computation. The advancement of these technologies requires a rational design of ideal defect centers, demanding reliable computation methods for the quantitatively accurate prediction of defect properties. We present an accurate, parameter-free, and efficient procedure to evaluate...Read More