Theoretical study of electrocatalytic properties of low-dimensional freestanding PbTiO for hydrogen evolution reactions.

The discovery of novel materials for catalytic purposes that are highly stable is one of the main challenges nowadays for reducing our dependence on fossil fuels. Here, low-dimensional PbTiO is introduced as an electrocatalyst using first-principles calculations. Density-functional theory calculations indicate that 2D-PbTiO is dynamically and thermodynamically stable.