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Electronic Structure and Band Alignments of Various Phases of Titania Using the Self-Consistent Hybrid Density Functional and DFT+U Methods

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https://hal.univ-lorraine.fr/hal-03603441
Contributor : François Dehez Connect in order to contact the contributor
Submitted on : Wednesday, March 9, 2022 - 7:05:13 PM
Last modification on : Thursday, March 10, 2022 - 3:32:35 AM

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Won June Kim, Myung Hoon Han, Sébastien Lebègue, Eok Kyun Lee, Hyungjun Kim. Electronic Structure and Band Alignments of Various Phases of Titania Using the Self-Consistent Hybrid Density Functional and DFT+U Methods. Frontiers in Chemistry, 2019, 7, pp.47. ⟨10.3389/fchem.2019.00047⟩. ⟨hal-03603441⟩

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