Ti-Based Catalysts and Photocatalysts: Characterization and Modeling

Lorenzo Mino; Matteo Signorile; Valentina Crocellà; Carlo Lamberti

doi:10.1002/tcr.201800108

Ti-Based Catalysts and Photocatalysts: Characterization and Modeling

Chem Rec. 2019 Jul;19(7):1319-1336. doi: 10.1002/tcr.201800108. Epub 2018 Dec 20.

Authors

Lorenzo Mino¹, Matteo Signorile¹, Valentina Crocellà¹, Carlo Lamberti^{2

3}

Affiliations

¹ Department of Chemistry, INSTM Reference Center and NIS Interdepartmental Center, University of Turin, via Giuria 7, I-10135, Turin, Italy.
² Department of Physics, INSTM Reference Center and CrisDi Interdepartmental Center for crystallography, University of Turin, via Giuria 1, I-10135, Turin, Italy.
³ The Smart Materials Research Institute, Southern Federal University, Sladkova Street 174/28, 344090, Rostov-on-Don, Russia.

PMID: 30570210
DOI: 10.1002/tcr.201800108

Abstract

This perspective article aims to underline how cutting-edge synchrotron radiation spectroscopies such as extended X-ray absorption spectroscopy (EXAFS), X-ray absorption near edge structure (XANES), high resolution fluorescence detected (HRFD) XANES, X-ray emission spectroscopy (XES) and resonant inelastic X-ray scattering (RIXS) have played a key role in the structural and electronic characterization of Ti-based catalysts and photocatalysts, representing an important additional value to the outcomes of conventional laboratory spectroscopies (UV-Vis, IR, Raman, EPR, NMR etc.). Selected examples are taken from the authors research activity in the last two decades, covering both band-gap and shape engineered TiO₂ materials and microporous titanosilicates (ETS-10, TS-1 and Ti-AlPO-5). The relevance of the state of the art simulation techniques as a support for experiments interpretation is underlined for all the reported examples.

Keywords: DFT; ETS-10; X-ray techniques; TiO2 photocatalyst; Titanium-silicalite-1; post Hartree-Fock methods.

Publication types

Review

Abstract

Publication types

Grants and funding