Advanced Materials-National Science and Technology Major Project

Sliding one layer shuts off interlayer carrier transfer in a simulated ZrTe2/HfTe2 stack

A machine-learning-accelerated simulation in npj Computational Materials puts electron transfer in TiSe2/HfSe2 under 50 femtoseconds and nearly stops it in one stacking of ZrTe2/HfTe2, for under a tenth of the usual compute.