Tuning Optoelectronic Properties and Photoelectrochemical Performance of \b{eta}-TaON via Vanadium Doping
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| Autores principales: | , , , , , , , , , |
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| Formato: | Preprint |
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2026
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| author | Hojamberdiev, Mirabbos Vargas, Ronald Madriz, Lorean Nematov, Dilshod Shaislamov, Ulugbek Wagata, Hajime Kubota, Yuta Yubuta, Kunio Teshima, Katsuya Matsushita, Nobuhiro |
| author_facet | Hojamberdiev, Mirabbos Vargas, Ronald Madriz, Lorean Nematov, Dilshod Shaislamov, Ulugbek Wagata, Hajime Kubota, Yuta Yubuta, Kunio Teshima, Katsuya Matsushita, Nobuhiro |
| contents | The application of beta-TaON for solar-driven water splitting is hindered by limitations in phase purity, stoichiometry, crystallinity, visible-light absorption, carrier mobility, and high recombination rates. This study investigates the impact of vanadium doping (0-25 at.% V) on the structural, optoelectronic, and photoelectrochemical properties of beta-TaON using both experimental and density functional theory (DFT) approaches. Phase-pure beta-TaON is retained up to 10 at.% V, beyond which secondary phases (Ta2O5 and VN) form, indicating a threshold of ~10 at.% under the applied synthesis conditions. All samples exhibit a porous microstructure. Increasing vanadium content induces a redshift in the absorption edge, reducing the bandgap from 2.72 eV (undoped) to 2.38 eV at 25 at.% V for the main beta-TaON phase, in agreement with DFT results. X-ray photoelectron spectroscopy confirms substitutional incorporation of V5+ for Ta5+ in the beta-TaON lattice. DFT calculations reveal reduced electron effective mass, enhanced n-type conductivity, and favorable band edge shifts enabling spontaneous overall water splitting at <=10 at.% V. Photoelectrochemical measurements show improved photocurrent and more negative onset potentials for 5-10 at.% V, while higher V doping degrades performance due to phase segregation, which likely increases recombination and hinders interfacial charge transport. Vanadium doping (<=10 at.% V) is an effective strategy for tuning the electronic structure and enhancing the optical properties and photoelectrochemical performance of beta-TaON. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2602_13365 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Tuning Optoelectronic Properties and Photoelectrochemical Performance of \b{eta}-TaON via Vanadium Doping Hojamberdiev, Mirabbos Vargas, Ronald Madriz, Lorean Nematov, Dilshod Shaislamov, Ulugbek Wagata, Hajime Kubota, Yuta Yubuta, Kunio Teshima, Katsuya Matsushita, Nobuhiro Materials Science The application of beta-TaON for solar-driven water splitting is hindered by limitations in phase purity, stoichiometry, crystallinity, visible-light absorption, carrier mobility, and high recombination rates. This study investigates the impact of vanadium doping (0-25 at.% V) on the structural, optoelectronic, and photoelectrochemical properties of beta-TaON using both experimental and density functional theory (DFT) approaches. Phase-pure beta-TaON is retained up to 10 at.% V, beyond which secondary phases (Ta2O5 and VN) form, indicating a threshold of ~10 at.% under the applied synthesis conditions. All samples exhibit a porous microstructure. Increasing vanadium content induces a redshift in the absorption edge, reducing the bandgap from 2.72 eV (undoped) to 2.38 eV at 25 at.% V for the main beta-TaON phase, in agreement with DFT results. X-ray photoelectron spectroscopy confirms substitutional incorporation of V5+ for Ta5+ in the beta-TaON lattice. DFT calculations reveal reduced electron effective mass, enhanced n-type conductivity, and favorable band edge shifts enabling spontaneous overall water splitting at <=10 at.% V. Photoelectrochemical measurements show improved photocurrent and more negative onset potentials for 5-10 at.% V, while higher V doping degrades performance due to phase segregation, which likely increases recombination and hinders interfacial charge transport. Vanadium doping (<=10 at.% V) is an effective strategy for tuning the electronic structure and enhancing the optical properties and photoelectrochemical performance of beta-TaON. |
| title | Tuning Optoelectronic Properties and Photoelectrochemical Performance of \b{eta}-TaON via Vanadium Doping |
| topic | Materials Science |
| url | https://arxiv.org/abs/2602.13365 |