Band Gap Modulation of Tantalum(V) Perovskite Semiconductors by Anion Control
Band gap magnitudes and valence band energies of Ta<sup>5+</sup> containing simple perovskites (BaTaO<sub>2</sub>N, SrTaO<sub>2</sub>N, CaTaO<sub>2</sub>N, KTaO<sub>3</sub>, NaTaO<sub>3</sub>, and TaO<sub>2</sub>F) w...
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MDPI AG
2019-02-01
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| Series: | Catalysts |
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| Online Access: | https://www.mdpi.com/2073-4344/9/2/161 |
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doaj-5ee2548656164644ae00af60ca236f152020-11-24T21:59:12ZengMDPI AGCatalysts2073-43442019-02-019216110.3390/catal9020161catal9020161Band Gap Modulation of Tantalum(V) Perovskite Semiconductors by Anion ControlYoung-Il Kim0Patrick M. Woodward1Department of Chemistry, Yeungnam University, Gyeongsan 38541, KoreaDepartment of Chemistry and Biochemistry, The Ohio State University, Columbus, OH 43210, USABand gap magnitudes and valence band energies of Ta<sup>5+</sup> containing simple perovskites (BaTaO<sub>2</sub>N, SrTaO<sub>2</sub>N, CaTaO<sub>2</sub>N, KTaO<sub>3</sub>, NaTaO<sub>3</sub>, and TaO<sub>2</sub>F) were studied by diffuse reflection absorbance measurements, density-functional theoretical calculations, and X-ray photoelectron spectroscopy. As a universal trend, the oxynitrides have wider valence bands and narrower band gaps than isostructural oxides, owing to the N 2<i>p</i> contribution to the electronic structure. Visible light-driven water splitting was achieved by using Pt-loaded CaTaO<sub>2</sub>N, together with a sacrificial agent CH<sub>3</sub>OH.https://www.mdpi.com/2073-4344/9/2/161perovskite oxynitrideband gapdensity-functional theorywater splitting |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
Young-Il Kim Patrick M. Woodward |
| spellingShingle |
Young-Il Kim Patrick M. Woodward Band Gap Modulation of Tantalum(V) Perovskite Semiconductors by Anion Control Catalysts perovskite oxynitride band gap density-functional theory water splitting |
| author_facet |
Young-Il Kim Patrick M. Woodward |
| author_sort |
Young-Il Kim |
| title |
Band Gap Modulation of Tantalum(V) Perovskite Semiconductors by Anion Control |
| title_short |
Band Gap Modulation of Tantalum(V) Perovskite Semiconductors by Anion Control |
| title_full |
Band Gap Modulation of Tantalum(V) Perovskite Semiconductors by Anion Control |
| title_fullStr |
Band Gap Modulation of Tantalum(V) Perovskite Semiconductors by Anion Control |
| title_full_unstemmed |
Band Gap Modulation of Tantalum(V) Perovskite Semiconductors by Anion Control |
| title_sort |
band gap modulation of tantalum(v) perovskite semiconductors by anion control |
| publisher |
MDPI AG |
| series |
Catalysts |
| issn |
2073-4344 |
| publishDate |
2019-02-01 |
| description |
Band gap magnitudes and valence band energies of Ta<sup>5+</sup> containing simple perovskites (BaTaO<sub>2</sub>N, SrTaO<sub>2</sub>N, CaTaO<sub>2</sub>N, KTaO<sub>3</sub>, NaTaO<sub>3</sub>, and TaO<sub>2</sub>F) were studied by diffuse reflection absorbance measurements, density-functional theoretical calculations, and X-ray photoelectron spectroscopy. As a universal trend, the oxynitrides have wider valence bands and narrower band gaps than isostructural oxides, owing to the N 2<i>p</i> contribution to the electronic structure. Visible light-driven water splitting was achieved by using Pt-loaded CaTaO<sub>2</sub>N, together with a sacrificial agent CH<sub>3</sub>OH. |
| topic |
perovskite oxynitride band gap density-functional theory water splitting |
| url |
https://www.mdpi.com/2073-4344/9/2/161 |
| work_keys_str_mv |
AT youngilkim bandgapmodulationoftantalumvperovskitesemiconductorsbyanioncontrol AT patrickmwoodward bandgapmodulationoftantalumvperovskitesemiconductorsbyanioncontrol |
| _version_ |
1725848297264906240 |