Bixbyite-based Ta–O–N film: A Promising Candidate for Water Splitting?

Kód výsledku v IS VaVaI

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Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

Bixbyite-based Ta–O–N film: A Promising Candidate for Water Splitting?

Popis výsledku v původním jazyce

The Ta–O–N materials are an interesting group of materials that may provide appropriate properties (i.e., band gap width and alignment) for splitting of water into H2 and O2 under visible light irradiation (without any external voltage). However, it is still a big challenge to prepare highly crystalline Ta–O–N materials in a form of a thin film mainly due to their very high crystallization temperature (800–900 °C). In our research we utilize the advantages of high-power impulse magnetron sputtering in combination with film post-annealing in a vacuum furnace to prepare single-phase Ta–O–N thin films. Recently‚ during our work dealing with monoclinic TaON films‚ fine-tuning of the elemental composition of the films led to a successful preparation of bixbyite-based Ta2N2O films. To the best of our knowledge‚ this material has not been yet reported. In this work‚ we present the way of preparation of the films and we investigate their properties with respect to the water splitting application. The optical band gap width of this material is 2.0 eV‚ allowing absorption of visible light up to 620 nm and the band gap is also well aligned with respect to the water splitting redox potentials (based on the ultraviolet photoelectron spectroscopy data). Furthermore‚ in this work we present and discuss results of carried out ab-initio calculations providing a closer insight into the band structure of this material. Finally, we also present preliminary results of the activity of these films based on electrochemical measurements.

Název v anglickém jazyce

Bixbyite-based Ta–O–N film: A Promising Candidate for Water Splitting?

Popis výsledku anglicky

The Ta–O–N materials are an interesting group of materials that may provide appropriate properties (i.e., band gap width and alignment) for splitting of water into H2 and O2 under visible light irradiation (without any external voltage). However, it is still a big challenge to prepare highly crystalline Ta–O–N materials in a form of a thin film mainly due to their very high crystallization temperature (800–900 °C). In our research we utilize the advantages of high-power impulse magnetron sputtering in combination with film post-annealing in a vacuum furnace to prepare single-phase Ta–O–N thin films. Recently‚ during our work dealing with monoclinic TaON films‚ fine-tuning of the elemental composition of the films led to a successful preparation of bixbyite-based Ta2N2O films. To the best of our knowledge‚ this material has not been yet reported. In this work‚ we present the way of preparation of the films and we investigate their properties with respect to the water splitting application. The optical band gap width of this material is 2.0 eV‚ allowing absorption of visible light up to 620 nm and the band gap is also well aligned with respect to the water splitting redox potentials (based on the ultraviolet photoelectron spectroscopy data). Furthermore‚ in this work we present and discuss results of carried out ab-initio calculations providing a closer insight into the band structure of this material. Finally, we also present preliminary results of the activity of these films based on electrochemical measurements.

Druh

O - Ostatní výsledky

CEP obor

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OECD FORD obor

20506 - Coating and films

Projekt

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Návaznosti

S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2021

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů