Electric-dipole effect of defects on the energy band alignment of rutile and anatase TiO2
2015 ◽
Vol 17
(43)
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pp. 29079-29084
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DFT+U calculations determined that the perfect rutile(110) and anatase(101) surfaces have the straddling type band alignment, whereas surfaces with defects have the staggered type.
2022 ◽
Vol 608
◽
pp. 482-492
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