Role of Ag+ in the band structures and photocatalytic properties of AgMO3 (M: Ta and Nb) with the perovskite structure

Hideki Kato; Hisayoshi Kobayashi; Akihiko Kudo

doi:10.1021/jp025974n

Role of Ag⁺ in the band structures and photocatalytic properties of AgMO₃ (M: Ta and Nb) with the perovskite structure

Hideki Kato, Hisayoshi Kobayashi, Akihiko Kudo

IMRAM - Division of Inorganic Material Research

Research output: Contribution to journal › Article › peer-review

496 Citations (Scopus)

Abstract

Photophysical and photocatalytic properties of perovskite-type materials AgMO₃ (M: Ta and Nb) consisting of Ag⁺ and d⁰ ions were investigated. The band gaps of AgTaO₃ and AgNbO₃ were 3.4 and 2.8 eV, respectively, being 0.6 eV smaller than the band gaps of NaTaO₃ (4.0 eV) and NaNbO₃, even if the crystal structures of AgMO₃ were similar to those of NaMO₃. It was found from the electronic band structure study, using the plane-wave-based density functional method, that a hybrid orbital of Ag 4d and O 2p formed a valence band at a more negative level than O 2p orbitals. AgTaO₃ showed photocatalytic activity for pure water splitting into H₂ and O₂ under UV-light irradiation. AgNbO₃ has arisen as a new visible-light-driven photocatalyst possessing the ability to evolve H₂ or O₂ from water in the presence of sacrificial reagents.

Original language	English
Pages (from-to)	12441-12447
Number of pages	7
Journal	Journal of Physical Chemistry B
Volume	106
Issue number	48
DOIs	https://doi.org/10.1021/jp025974n
Publication status	Published - 2002 Dec 5

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@article{cb1c9961c2f646e6bd4f11e06b7949ce,

title = "Role of Ag+ in the band structures and photocatalytic properties of AgMO3 (M: Ta and Nb) with the perovskite structure",

abstract = "Photophysical and photocatalytic properties of perovskite-type materials AgMO3 (M: Ta and Nb) consisting of Ag+ and d0 ions were investigated. The band gaps of AgTaO3 and AgNbO3 were 3.4 and 2.8 eV, respectively, being 0.6 eV smaller than the band gaps of NaTaO3 (4.0 eV) and NaNbO3, even if the crystal structures of AgMO3 were similar to those of NaMO3. It was found from the electronic band structure study, using the plane-wave-based density functional method, that a hybrid orbital of Ag 4d and O 2p formed a valence band at a more negative level than O 2p orbitals. AgTaO3 showed photocatalytic activity for pure water splitting into H2 and O2 under UV-light irradiation. AgNbO3 has arisen as a new visible-light-driven photocatalyst possessing the ability to evolve H2 or O2 from water in the presence of sacrificial reagents.",

author = "Hideki Kato and Hisayoshi Kobayashi and Akihiko Kudo",

year = "2002",

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doi = "10.1021/jp025974n",

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journal = "Journal of Physical Chemistry B",

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TY - JOUR

T1 - Role of Ag+ in the band structures and photocatalytic properties of AgMO3 (M: Ta and Nb) with the perovskite structure

AU - Kato, Hideki

AU - Kobayashi, Hisayoshi

AU - Kudo, Akihiko

PY - 2002/12/5

Y1 - 2002/12/5

N2 - Photophysical and photocatalytic properties of perovskite-type materials AgMO3 (M: Ta and Nb) consisting of Ag+ and d0 ions were investigated. The band gaps of AgTaO3 and AgNbO3 were 3.4 and 2.8 eV, respectively, being 0.6 eV smaller than the band gaps of NaTaO3 (4.0 eV) and NaNbO3, even if the crystal structures of AgMO3 were similar to those of NaMO3. It was found from the electronic band structure study, using the plane-wave-based density functional method, that a hybrid orbital of Ag 4d and O 2p formed a valence band at a more negative level than O 2p orbitals. AgTaO3 showed photocatalytic activity for pure water splitting into H2 and O2 under UV-light irradiation. AgNbO3 has arisen as a new visible-light-driven photocatalyst possessing the ability to evolve H2 or O2 from water in the presence of sacrificial reagents.

AB - Photophysical and photocatalytic properties of perovskite-type materials AgMO3 (M: Ta and Nb) consisting of Ag+ and d0 ions were investigated. The band gaps of AgTaO3 and AgNbO3 were 3.4 and 2.8 eV, respectively, being 0.6 eV smaller than the band gaps of NaTaO3 (4.0 eV) and NaNbO3, even if the crystal structures of AgMO3 were similar to those of NaMO3. It was found from the electronic band structure study, using the plane-wave-based density functional method, that a hybrid orbital of Ag 4d and O 2p formed a valence band at a more negative level than O 2p orbitals. AgTaO3 showed photocatalytic activity for pure water splitting into H2 and O2 under UV-light irradiation. AgNbO3 has arisen as a new visible-light-driven photocatalyst possessing the ability to evolve H2 or O2 from water in the presence of sacrificial reagents.

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JF - Journal of Physical Chemistry B

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ER -

Role of Ag⁺ in the band structures and photocatalytic properties of AgMO₃ (M: Ta and Nb) with the perovskite structure

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