Deciphering the photocatalytic hydrogen generation process of Fresnoite Ba2TiGe2O8 by electronic structure and bond analyses

In Ba 2 TiGe 2 O 8 , the electrons in O 2p non-bonding orbitals are UV-excited to either Ti–O or Ge–O anti-bonding orbitals, and the latter can form an infinite two-dimensional network for the easy migration of electrons.