Browsing Theses and Dessertations by Subject "ANATASE TiO2 MID-GAP STATES, HUBBARD TERM (DFT+U), ANATASE TiO2 FUNCTIONAL THEORY"

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MID-GAP STATES IN DEFECTIVE ANATASE TiO2 : A DENSITY FUNCTIONAL THEORY STUDY PLUS A HUBBARD TERM (DFT+U)

NGEYWO, TOLBERT KANER (University of Eldoret, 2016)

Motivated by the performance of reduced Titania in various important applications including photo-catalysis, photo-voltaics and CO2 reduction in hydrocarbon fuels, a systematic study of the structural properties and the ...