Size dependent content of structural vacancies within TiO nanoparticles: Quantum-chemical DFTB study
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DOI: 10.1016/j.spmi.2017.11.031
Abstract: Abstract The bulk titanium monoxide TiO – a promising thermoelectric component – contains a significant number of structural vacancies on both sublattices even at strictly stoichiometric composition. Their condition predetermines many physical properties of TiO,… read more here.
Keywords: structural vacancies; quantum chemical; chemical dftb; tio ... See more keywords