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<div class="csl-entry">Kaikhosravi, M., Hadadzadeh, H., Farrokhpour, H., Salimi, A., Mohtasham, H., Foelske, A., & Sauer, M. (2023). A combined experimental and theoretical study of RuO₂/TiO₂ heterostructures as a photoelectrocatalyst for hydrogen evolution. <i>Dalton Transactions</i>, <i>52</i>(11), 3472–3481. https://doi.org/10.1039/d2dt04123e</div>
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dc.identifier.issn
1477-9226
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dc.identifier.uri
http://hdl.handle.net/20.500.12708/192261
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dc.description.abstract
We report a joint experimental and theoretical study of RuO₂/TiO₂ heterostructures. In the experimental section, mesoporous RuO₂/TiO₂ heterostructures were prepared by impregnation of mesoporous TiO₂ nanoparticles which were synthesized from a new precursor, Na₂[Ti(C₂O₄)₃], in an aqueous solution of ruthenium(III) chloride followed by calcination at 300 °C. Using various techniques, the prepared TiO2 and RuO₂/TiO₂ heterostructures were extensively characterized. The photoelectocatalytic application of the as-prepared heterostructures was then investigated toward the hydrogen evolution reaction (HER). The results illustrated that RuO₂ is dispersed uniformly on the TiO₂ surface. The loading of RuO₂ on TiO₂ decreases the band gap energy and extends the absorption edge to the visible light region. This wide absorption extends the photoelectrocatalytic activity of RuO₂/TiO₂ heterostructures. To obtain a deeper understanding of the increase of the photoelectrocatalytic activity of RuO₂/TiO₂ heterostructures compared to pure TiO₂, theoretical calculations at the density functional theory (DFT) level were performed on some model clusters of pure TiO₂ and the RuO₂/TiO₂ heterostructure. The theoretical results elucidated that the recombination ratio of electron-hole pairs decreases effectively for RuO₂/TiO₂ compared to pure TiO₂.
en
dc.language.iso
en
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dc.publisher
ROYAL SOC CHEMISTRY
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dc.relation.ispartof
Dalton Transactions
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dc.subject
RuO₂
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dc.subject
Heterostructures
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dc.subject
Photoelectrocatalysis
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dc.title
A combined experimental and theoretical study of RuO₂/TiO₂ heterostructures as a photoelectrocatalyst for hydrogen evolution