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Light on the path

Discerning the precise mechanisms of photocatalytic energy conversion has long been a challenge. A computational multiscale approach reveals insights into the reaction pathways and rate-limiting steps of the oxygen evolution reaction, the bottleneck for water splitting on TiO2 surfaces.

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Fig. 1: A multiscale computational framework to improve the efficiency of the OER.


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Correspondence to Ashwathi Iyer or Elif Ertekin.

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Iyer, A., Ertekin, E. Light on the path. Nat Catal 1, 240–241 (2018).

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