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Band Edge Electronic Structure of BiVO4: Elucidating the Role of the Bi s and V d Orbitals
Open accessAbstract
Abstract We report the first-principles electronic structure of BiVO4, a promising photocatalyst for hydrogen generation. BiVO4 is found to be a direct band gap semiconductor, despite having band extrema away from the Brillouin zone center. Coupling between Bi 6s and O 2p forces an upward dispersion of the valence band at the zone boundary; however, a direct gap is maintained via coupling between V 3d, O 2p, and Bi 6p, which lowers the conduction band minimum. These interactions result in symmetric hole and electron masses. Implications for the design of ambipolar metal oxides are discussed.
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Cites
Generalized Gradient Approximation Made Simple
Perdew, J. P., Burke, K., & Ernzerhof, M. (1996) · Physical Review Letters · doi:10.1103/physrevlett.77.3865 · Cited by 215,824
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
Kresse, G., & Furthmüller, J. (1996) · Physical Review B · doi:10.1103/physrevb.54.11169 · Cited by 123,652
Projector augmented-wave method
Blöchl, P. E. (1994) · Physical Review B · doi:10.1103/physrevb.50.17953 · Cited by 92,732
Kresse, G., & Furthmüller, J. (1996) · Computational Materials Science · doi:10.1016/0927-0256(96)00008-0 · Cited by 75,638
Self-Consistent Equations Including Exchange and Correlation Effects
Kohn, W., & Sham, L. J. (1965) · Physical Review · doi:10.1103/physrev.140.a1133 · Cited by 64,135
Hohenberg, P., & Kohn, W. (1964) · Physical Review · doi:10.1103/physrev.136.b864 · Cited by 53,541
Payne, M. C., Teter, M. P., Allan, D. C., Arias, T. A., & Joannopoulos, J. D. (1992) · Reviews of Modern Physics · doi:10.1103/revmodphys.64.1045 · Cited by 9,728
VESTA: a three-dimensional visualization system for electronic and structural analysis
Momma, K., & Izumi, F. (2008) · Journal of Applied Crystallography · doi:10.1107/s0021889808012016 · Cited by 6,834
Linear optical properties in the projector-augmented wave methodology
Gajdoš, M., Hummer, K., Kresse, G., Furthmüller, J., & Bechstedt, F. (2006) · Physical Review B · doi:10.1103/physrevb.73.045112 · Cited by 3,508
Janotti, A., & Van de Walle, C. G. (2007) · Physical Review B · doi:10.1103/physrevb.76.165202 · Cited by 2,434
Inorganic Materials as Catalysts for Photochemical Splitting of Water
Osterloh, F. E. (2008) · Chemistry of Materials · doi:10.1021/cm7024203 · Cited by 2,161
P-type electrical conduction in transparent thin films of CuAlO2
Kawazoe, H., Yasukawa, M., Hyodo, H., Kurita, M., Yanagi, H., & Hosono, H. (1997) · Nature · doi:10.1038/40087 · Cited by 2,132
Kudo, A., Omori, K., & Kato, H. (1999) · Journal of the American Chemical Society · doi:10.1021/ja992541y · Cited by 1,950
Madelung, O. (2004) · Springer eBooks · doi:10.1007/978-3-642-18865-7 · Cited by 1,938
Lany, S., & Zunger, A. (2008) · Physical Review B · doi:10.1103/physrevb.78.235104 · Cited by 1,257
Aroyo, M. I., Kirov, A., Capillas, C., Perez-Mato, J. M., & Wondratschek, H. (2006) · Acta Crystallographica Section A Foundations of Crystallography · doi:10.1107/s0108767305040286 · Cited by 1,122
Solar hydrogen production with nanostructured metal oxides
van de Krol, R., Liang, Y., & Schoonman, J. (2008) · Journal of Materials Chemistry · doi:10.1039/b718969a · Cited by 669
Sayama, K., Nomura, A., Arai, T., Sugita, T., Abe, R., Yanagida, M., Oi, T., Iwasaki, Y., Abe, Y., & Sugihara, H. (2006) · The Journal of Physical Chemistry B · doi:10.1021/jp057539+ · Cited by 534
Metal oxide photoanodes for solar hydrogen production
Alexander, B. D., Kulesza, P. J., Rutkowska, I., Solarska, R., & Augustynski, J. (2008) · Journal of Materials Chemistry · doi:10.1039/b718644d · Cited by 488
Bipolar Doping and Band-Gap Anomalies in Delafossite Transparent Conductive Oxides
Nie, X., Wei, S.-H., & Zhang, S. B. (2002) · Physical Review Letters · doi:10.1103/physrevlett.88.066405 · Cited by 363
Self-citationVisible Light Induced Photoelectrochemical Properties of n-BiVO4and n-BiVO4/p-Co3O4
Long, Cai, & Kisch, H. (2008) · The Journal of Physical Chemistry C · doi:10.1021/jp075605x · Cited by 362
Origins of band-gap renormalization in degenerately doped semiconductors
Walsh, A., Da Silva, J. L. F., & Wei, S.-H. (2008) · Physical Review B · doi:10.1103/physrevb.78.075211 · Cited by 348
Self-citationStructure and Bonding in SnWO4, PbWO4, and BiVO4: Lone Pairs vs Inert Pairs
Stoltzfus, M. W., Woodward, P. M., Seshadri, R., Klepeis, J.-H., & Bursten, B. (2007) · Inorganic Chemistry · doi:10.1021/ic061157g · Cited by 310
Lacomba-Perales, R., Ruiz-Fuertes, J., Errandonea, D., Martínez-García, D., & Segura, A. (2008) · EPL (Europhysics Letters) · doi:10.1209/0295-5075/83/37002 · Cited by 306
Sayama, K., Nomura, A., Zou, Z., Abe, R., Abe, Y., & Arakawa, H. (2003) · Chemical Communications · doi:10.1039/b310428a · Cited by 295
Hosogi, Y., Shimodaira, Y., Kato, H., Kobayashi, H., & Kudo, A. (2008) · Chemistry of Materials · doi:10.1021/cm071588c · Cited by 244
Walsh, A., Wei, S.-H., Yan, Y., Al-Jassim, M. M., Turner, J. A., Woodhouse, M., & Parkinson, B. A. (2007) · Physical Review B · doi:10.1103/physrevb.76.165119 · Cited by 204
Self-citationCombinatorial Approach to Identification of Catalysts for the Photoelectrolysis of Water
Woodhouse, M., Herman, G. S., & Parkinson, B. A. (2005) · Chemistry of Materials · doi:10.1021/cm050546q · Cited by 167
Combinatorial Discovery and Optimization of a Complex Oxide with Water Photoelectrolysis Activity
Woodhouse, M. A., & Parkinson, B. A. (2008) · Chemistry of Materials · doi:10.1021/cm703099j · Cited by 147
Sheets, W. C., Stampler, E. S., Bertoni, M. I., Sasaki, M., Marks, T. J., Mason, T. O., & Poeppelmeier, K. R. (2008) · Inorganic Chemistry · doi:10.1021/ic702197h · Cited by 99
Yashima, M., Lee, Y., & Domen, K. (2007) · Chemistry of Materials · doi:10.1021/cm062586f · Cited by 96
Walsh, A., Yan, Y., Al-Jassim, M. M., & Wei, S. (2008) · The Journal of Physical Chemistry C · doi:10.1021/jp711566k · Cited by 85
Self-citationWang, X., Maeda, K., Lee, Y., & Domen, K. (2008) · Chemical Physics Letters · doi:10.1016/j.cplett.2008.03.065 · Cited by 72
Veluchamy, P., & Minoura, H. (1994) · Applied Physics Letters · doi:10.1063/1.112697 · Cited by 23
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Moniz, S. J. A., Shevlin, S. A., Martin, D. J., Guo, Z.-X., & Tang, J. (2015) · Energy & Environmental Science · doi:10.1039/c4ee03271c · Cited by 2,363
Semiconducting materials for photoelectrochemical energy conversion
Sivula, K., & van de Krol, R. (2016) · Nature Reviews Materials · doi:10.1038/natrevmats.2015.10 · Cited by 1,645
Recent advances and perspectives for solar-driven water splitting using particulate photocatalysts
Tao, X., Zhao, Y., Wang, S., Li, C., & Li, R. (2022) · Chemical Society Reviews · doi:10.1039/d1cs01182k · Cited by 871
Stereochemistry of post-transition metal oxides: revision of the classical lone pair model
Walsh, A., Payne, D. J., Egdell, R. G., & Watson, G. W. (2011) · Chemical Society Reviews · doi:10.1039/c1cs15098g · Cited by 832
Self-citationIdentification and design principles of low hole effective mass p-type transparent conducting oxides
Hautier, G., Miglio, A., Ceder, G., Rignanese, G.-M., & Gonze, X. (2013) · Nature Communications · doi:10.1038/ncomms3292 · Cited by 640
Metadata
- Authors
- Walsh, A., Yan, Y., Huda, M. N., Al-Jassim, M. M., & Wei, S.-H.
- Venue
- Chemistry of Materials
- Publisher
- American Chemical Society (ACS)
- Published
- 2009-01-14
- Volume
- 21
- Issue
- 3
- Pages
- 547-551
- ISSN
- 0897-4756 (ISSN-L)
- 1520-5002
- OpenAlex
- W2009184047
- Cited by
- 734
- References
- 34
- FWCI
- 13.40
- Type
- journal article
- Language
- en
- Open access
- hybrid
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