DataVXACS Applied Materials & InterfacesPaper
journal article·2021-07-21Open access

Arc Synthesis, Crystal Structure, and Photoelectrochemistry of Copper(I) Tungstate

Miguel Tayar Galante, Aleksandar Živković, Jéssica Costa Alvim, Cinthia Cristina Calchi Kleiner, Márcio Sangali, S. F. Rebecca Taylor, Adam J. Greer, Christopher Hardacre, Krishnan Rajeshwar, Rubens Caram, Rodnei Bertazzoli, Robin T. Macaluso, Nora H. de Leeuw, Claudia Longo

ACS Applied Materials & Interfaces· Volume 13· Issue 28
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Source abstract

Abstract

A little-studied p-type ternary oxide semiconductor, copper(I) tungstate (Cu2WO4), was assessed by a combined theoretical/experimental approach. A detailed computational study was performed to solve the long-standing debate on the space group of Cu2WO4, which was determined to be triclinic P1. Cu2WO4 was synthesized by a time-efficient, arc-melting method, and the crystalline reddish particulate product showed broad-band absorption in the UV-visible spectral region, thermal stability up to ∼260 °C, and cathodic photoelectrochemical activity. Controlled thermal oxidation of copper from the Cu(I) to Cu(II) oxidation state showed that the crystal lattice could accommodate Cu2+ cations up to ∼260 °C, beyond which the compound was converted to CuO and CuWO4. This process was monitored by powder X-ray diffraction and X-ray photoelectron spectroscopy. The electronic band structure of Cu2WO4 was contrasted with that of the Cu(II) counterpart, CuWO4 using spin-polarized density functional theory (DFT). Finally, the compound Cu2WO4 was determined to have a high-lying (negative potential) conduction band edge underlining its promise for driving energetic photoredox reactions.
Source: europepmc · Quality: candidate unverified · Source record ↗

Research context

Electronic materials

OpenAlex topics: Advanced Photocatalysis Techniques · Copper-based nanomaterials and applications · Transition Metal Oxide Nanomaterials

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Institute of Chemistry, University of Campinas—UNICAMP, 13083-970 Campinas, Brazil

Center for Innovation on New Energies, University of Campinas, CEP 13083-841 Campinas, Brazil

Department of Earth Sciences, Utrecht University, Princetonlaan 8a, 3548CB Utrecht, The Netherlands

Faculty of Mechanical Engineering, University of Campinas—UNICAMP, 13083-970 Campinas, Brazil

Department of Chemical Engineering and Analytical Science, University of Manchester, The Mill, Sackville Street, Manchester M13 9PL, United Kingdom

Department of Chemistry and Biochemistry, The University of Texas at Arlington, Arlington, Texas 76019, United States

School of Chemistry, University of Leeds, Woodhouse Lane, Leeds LS2 9JT, United Kingdom

Funding

Engineering and Physical Sciences Research Council · University of Manchester · Conselho Nacional de Desenvolvimento Científico e Tecnológico · Agência Nacional do Petróleo, Gás Natural e Biocombustíveis · Cardiff University · Fundação de Amparo à Pesquisa do Estado de São Paulo · University College London · Shell · Queen's University Belfast · Coordenação de Aperfeiçoamento de Pessoal de Nível Superior · Nederlandse Organisatie voor Wetenschappelijk Onderzoek

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