TY - JOUR TI - Computational analysis of hydroxyl effects on metal oxide surfaces DO - https://doi.org/doi:10.7282/T3HM5BPZ PY - 2016 AB - Using density functional theory (DFT), we analyzed the bulk and surface structures of metal oxides and the effects on the degree of hydoxylation. We computed the density of states of the model cells to see how the electronic structure is related to the surface morphology. KW - Chemistry KW - Metallic oxides LA - eng ER -