anatase tio2 bandstructure dft study bragitoff simulated espresso quantum using structure crystal
anatase tio2 dft study bragitoff density states tdos pdos projected total
tio2 anatase dft study bragitoff versus hubbard gap parameter orbital ti band
tio2 lattice anatase lithiation distortion upon dipole field
anatase rutile spectra xps tio nanocrystals 2p
tio2 anatase represents dap calculated lengths