First-principles treatment of photoluminescence in semiconductors
A comparison of two first-principles methodologies,(1) molecular dynamics (MD) sampling
and (2) time integration along progression of subsequently occupied excited states for …
and (2) time integration along progression of subsequently occupied excited states for …
Quantitative Attachment of Bimetal Combinations of Transition-Metal Ions to the Surface of TiO2 Nanorods
We report the sequential, quantitative loading of transition-metal ions (Cr3+, Mn2+, Fe2+,
Co2+, Ni2+, and Cu2+) onto the surface of rod-shaped anatase TiO2 nanocrystals in …
Co2+, Ni2+, and Cu2+) onto the surface of rod-shaped anatase TiO2 nanocrystals in …
Dynamics of charge at water-to-semiconductor interface: Case study of wet [0 0 1] anatase TiO2 nanowire
The behavior of water molecules on the surfaces of the TiO 2 nanowire grown in [0 0 1]
direction has been investigated by combining theoretical calculations and experiments …
direction has been investigated by combining theoretical calculations and experiments …