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Bartók, Michael J

Bart · 2013 · Physical Review B · DOI 10.1103/physrevb.88.054104

2 Pith papers cite this work, alongside 217 external citations. Polarity classification is still indexing.

2 Pith papers citing it
217 external citations · OpenAlex
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cond-mat.mtrl-sci 2

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2026 2

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Polaron Transport in TiO$_{2}$ from Machine Learning Molecular Dynamics

cond-mat.mtrl-sci · 2026-06-01 · unverdicted · novelty 7.0

DeepPolaron ML-MD simulations show rutile electrons form Ti-localized polarons hopping along [001] with 39 meV barrier and 4.4e-2 cm2/Vs mobility, while anatase holes form O-localized polarons hopping to second neighbors with 139 meV barrier and 1.4e-3 cm2/Vs mobility.

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