Defect Chemistry in Zn3V4(PO4)6

Defect chemistry and transport properties of BaxCe0.85M0.15O3-

The site-incorporation mechanism of M dopants into ABO3 perovskites controls the overall defect chemistry and thus their transport properties. For charge-balance reasons, incorporation onto the A-site would require the creation of negatively charged point defects (such as cation vacancies), whereas incorporation onto the B-site is accompanied by the generation of positively charged defects, typ...

Defect Chemistry and Proton Conductivity in Ba-based Perovskites

The site incorporation mechanism of M dopants into ABO3 perovskites controls the overall defect chemistry and thus their transport properties. For charge balance reasons, incorporation onto the A site would require the creation of negatively charged point defects, such as cation vacancies, whereas incorporation onto the B site is accompanied by the generation of positively charged defects, typi...

Defect chemistry, surface structures, and lithium insertion in anatase TiO2.

Atomistic simulation techniques are used to investigate the defect properties of anatase TiO(2) and Li(x)TiO(2) both in the bulk and at the surfaces. Interatomic potential parameters are derived that reproduce the lattice constants of anatase, and the energies of bulk defects and surface structures are calculated. Reduction of anatase involving interstitial Ti is found to be the most favorable ...

New oxidation states and defect chemistry in the pyrochlore structure.

Charge carrier defect chemistry of nanoscopic SrTiO 3

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