Improving Hydrogen Evolution by Mn Doping MoS2 Nanosheets: DFT QTAIM analysis

Work functions at interfaces with BAND (video tip of the week, new tutorial)

Enhanced electrocatalytic water splitting on MoTe2

Understanding Band Structures – “Mirrors of Bonding” in Perovskite Crystals

Perovskite Band Structure & COOP Analysis – Advanced Tutorial

Periodic energy decomposition analysis

Single material transistor from 2D PdS2

Closing the band gap in 2D semiconductors

Relativistic effects up the voltage in batteries

Water adsorption on graphene influenced by silica support