Ionization fraction crystal structure

On studying Ti02 layers, an increasing ORR activity was correlated with an increasing fraction of rutile crystallites characterized by a (110) face habit leading to a decreasing ionization potential of the layers [49]. All these investigations have proven that the catalytic activity of the oxides is dependent on the crystal structure... 

I-A term for transfering an electron from D to A. The small net contribution is comparable to other terms and does not control the structure. A linear q-dependence is expected for I-A in the limit of separated sites, when ionicity q implies a fraction q of the donors and acceptors are fully ionized. The Hartree-Fock limit of fractionally charged sites, by contrast, yields a q dependence for M(q) and yields minima at q = 0 or 1, but not in between. Correlated crystal states or VB structures... 

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