Impedance spectroscopic investigation of a Rh/YSZ catalyst under polarization

Christos Comninellis, György Foti
2007
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https://infoscience.epfl.ch/entities/publication/e0313c62-ab36-4506-8382-13c2be3a1119

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Understanding the role of Hubbard corrections in the rhombohedral phase of BaTiO3

Nicola Marzari, Iurii Timrov, Michele Kotiuga, Lorenzo Bastonero

We present a first-principles study of the low-temperature rhombohedral phase of BaTiO3 using Hubbardcorrected density-functional theory. By employing density-functional perturbation theory, we compute the onsite Hubbard U for Ti(3d) states and the intersi ...

Amer Physical Soc2023