4.8 Article

TiO2 Polarons in the Time Domain: Implications for Photocatalysis

Journal

JOURNAL OF PHYSICAL CHEMISTRY LETTERS
Volume 13, Issue 2, Pages 559-566

Publisher

AMER CHEMICAL SOC
DOI: 10.1021/acs.jpclett.1c03677

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Funding

  1. European Research Council Advanced Grant ENERGYSURF
  2. EPSRC (U.K.) [EP/D068673/1]
  3. Royal Society (U.K.) through a Wolfson Research Merit Award
  4. EPSRC [EP/D068673/1] Funding Source: UKRI

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This Perspective discusses recent advances in the field of photocatalysis, with a particular focus on two-photon photoemission spectroscopy (2PPE) and density functional theory (DFT), and examines their implications for photocatalysis.
Exploiting the availability of solar energy to produce valuable chemicals is imperative in our quest for a sustainable energy cycle. TiO2 has emerged as an efficient photocatalyst, and as such its photochemistry has been studied extensively. It is well-known that polaronic defect states impact the activity of this chemistry. As such, understanding the fundamental excitation mechanisms deserves the attention of the scientific community. However, isolating the contribution of polarons to these processes has required increasingly creative experimental techniques and expensive theory. In this Perspective, we discuss recent advances in this field, with a particular focus on two-photon photoemission spectroscopy (2PPE) and density functional theory (DFT), and discuss the implications for photocatalysis.

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