TiO2 Oxygen Vacancy DFT - Search Images

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DFT calculations to study the bulk oxygen vacancy formation and oxygen ...
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The vacancy formation energy per oxygen vacancy, calculated from D…
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(a) DFT-calculated oxygen vacancy fo…
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(a) DFT-calculated oxygen vacancy fo…
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Oxygen vacancy position and DFT-c…
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Oxygen vacancy segregation energies were calculated from the …
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Oxygen vacancy structures for DFT calculations (left) with blue lobes ...
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Figure 2 from DFT Study on Oxygen-Vacancy Stability in Rutile/Anatase ...

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Color online Schematic models showing the difference of the …
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(PDF) First-principles DFT +GW study of …
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Oxygen Vacancies Modified TiO2/O‐T…
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