[en] Bismuth vanadate (BiVO4) has recently been under focus for its potential use in photocatalysis thanks to its well-suited absorption edge in the visible light range. Here, we characterize the optical absorption of a BiVO4 single crystal as a function of temperature and polarization direction by reflectance and transmittance spectroscopy. The optical bandgap is found to be very sensitive to the temperature, and to the tetragonal-to-monoclinic ferroelastic transition at 523 K. The anisotropy, as measured by the difference in the absorption edge for the light polarized parallel and perpendicular to the principal axis, is reduced from 0.2 eV in the high-temperature tetragonal phase to 0.1 eV at ambient temperature. We show that this evolution is dominantly controlled by the ferroelastic shear strain. These findings provide a route for further optimization of bismuth vanadate-based light absorbers in photocatalytic devices.
Disciplines :
UNKNOWN KEY #A99
Auteur, co-auteur :
Hill, Christina
Weber, Mads C.
Lehmann, Jannis
Leinen, Tariq
Fiebig, Manfred
KREISEL, Jens ; University of Luxembourg > CRC > Vice-rectorate for Research (VR Research)
GUENNOU, Mael ; University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Physics and Materials Science (DPHYMS)
Co-auteurs externes :
yes
Langue du document :
Anglais
Titre :
Role of the ferroelastic strain in the optical absorption of BiVO4
Date de publication/diffusion :
2020
Titre du périodique :
APL Materials
ISSN :
2166-532X
Maison d'édition :
American Institute of Physics Publising LLC, Etats-Unis - New York
Volume/Tome :
8
Fascicule/Saison :
8
Peer reviewed :
Peer reviewed vérifié par ORBi
Projet FnR :
FNR10935404 - Materials For Sensing And Energy Harvesting, 2015 (01/10/2016-31/03/2023) - Emmanuel Defay
F. F. Abdi, L. Han, A. H. M. Smets, M. Zeman, B. Dam, and R. van de Krol, "Efficient solar water splitting by enhanced charge separation in a bismuth vanadate-silicon tandem photoelectrode," Nat. Commun. 4, 2195 (2013). 10.1038/ncomms3195
P. Bornoz, F. F. Abdi, S. D. Tilley, B. Dam, R. van de Krol, M. Graetzel, and K. Sivula, "A bismuth vanadate-cuprous oxide tandem cell for overall solar water splitting," J. Phys. Chem. C 118, 16959 (2014). 10.1021/jp500441h
L. Chen, E. Alarcón-Lladó, M. Hettick, I. D. Sharp, Y. Lin, A. Javey, and J. W. Ager, "Reactive sputtering of bismuth vanadate photoanodes for solar water splitting," J. Phys. Chem. C 117, 21635 (2013). 10.1021/jp406019r
L. Han, F. F. Abdi, R. van de Krol, R. Liu, Z. Huang, H.-J. Lewerenz, B. Dam, M. Zeman, and A. H. M. Smets, "Efficient water-splitting device based on a bismuth vanadate photoanode and thin-film silicon solar cells," ChemSusChem 7, 2832 (2014). 10.1002/cssc.201402456
J. K. Cooper, S. Gul, F. M. Toma, L. Chen, Y.-S. Liu, J. Guo, J. W. Ager, J. Yano, and I. D. Sharp, "Indirect bandgap and optical properties of monoclinic bismuth vanadate," J. Phys. Chem. C 119, 2969 (2015). 10.1021/jp512169w
A. Walsh, Y. Yan, M. N. Huda, M. M. Al-Jassim, and S.-H. Wei, "Band edge electronic structure of BiVO4: Elucidating the role of the Bi s and V d orbitals," Chem. Mater. 21, 547 (2009). 10.1021/cm802894z
Y. Park, K. J. McDonald, and K.-S. Choi, "Progress in bismuth vanadate photoanodes for use in solar water oxidation," Chem. Soc. Rev. 42, 2321 (2013). 10.1039/c2cs35260e
S. Chu, W. Li, Y. Yan, T. Hamann, I. Shih, D. Wang, and Z. Mi, "Roadmap on solar water splitting: Current status and future prospects," Nano Futures 1, 022001 (2017). 10.1088/2399-1984/aa88a1
S. Tokunaga, H. Kato, and A. Kudo, "Selective preparation of monoclinic and tetragonal BiVO4with scheelite structure and their photocatalytic properties," Chem. Mater. 13, 4624 (2001). 10.1021/cm0103390
T. Das, X. Rocquefelte, R. Laskowski, L. Lajaunie, S. Jobic, P. Blaha, and K. Schwarz, "Investigation of the optical and excitonic properties of the visible light-driven photocatalytic BiVO4material," Chem. Mater. 29, 3380 (2017). 10.1021/acs.chemmater.6b02261
X. Zhang, Z. Ai, F. Jia, L. Zhang, X. Fan, and Z. Zou, "Selective synthesis and visible-light photocatalytic activities of BiVO4with different crystalline phases," Mater. Chem. Phys. 103, 162 (2007). 10.1016/j.matchemphys.2007.02.008
J. Bierlein and A. Sleight, "Ferroelasticity in BiVO4," Solid State Commun. 16, 69 (1975). 10.1016/0038-1098(75)90791-7
W. I. F. David, A. M. Glazer, and A. W. Hewat, "The structure and ferroelastic phase transition of BiVO4," Phase Transitions 1, 155 (1979). 10.1080/01411597908213198
A. Sleight, H.-y. Chen, A. Ferretti, and D. Cox, "Crystal growth and structure of BiVO4," Mater. Res. Bull. 14, 1571 (1979). 10.1016/0025-5408(72)90227-9
J. Pellicer-Porres, D. Vázquez-Socorro, S. López-Moreno, A. Muñoz, P. Rodríguez-Hernández, D. Martínez-García, S. N. Achary, A. J. E. Rettie, and C. B. Mullins, "Phase transition systematics in BiVO4by means of high-pressure-higherature Raman experiments," Phys. Rev. B 98, 214109 (2018). 10.1103/physrevb.98.214109
G. Benyuan, M. Copic, and H. Z. Cummins, "Soft acoustic mode in ferroelastic BiVO4," Phys. Rev. B 24, 4098 (1981). 10.1103/physrevb.24.4098
R. M. Hazen and J. W. E. Mariathasan, "Bismuth vanadate: A high-pressure, higherature crystallographic study of the ferroelastic-paraelastic transition," Science 216, 991 (1982). 10.1126/science.216.4549.991
I. G. Wood, B. Welber, W. I. F. David, and A. M. Glazer, "Ferroelastic phase transition in BiVO4II. Birefringence at simultaneous high pressure and temperature," J. Appl. Crystallogr. 13, 224 (1980). 10.1107/s0021889880011971
W. I. F. David, "Ferroelastic phase transition in BiVO4: III. Thermodynamics," J. Phys. C: Solid State Phys. 16, 5093 (1983). 10.1088/0022-3719/16/26/006
W. I. F. David, "Ferroelastic phase transition in BiVO4: IV. Relationships between spontaneous strain and acoustic properties," J. Phys. C: Solid State Phys. 16, 5119 (1983). 10.1088/0022-3719/16/26/007
W. I. F. David and I. G. Wood, "Ferroelastic phase transition in BiVO4: V. Temperature dependence of Bi3+displacement and spontaneous strains," J. Phys. C: Solid State Phys. 16, 5127 (1983). 10.1088/0022-3719/16/26/008
H. Cummins and A. Levanyuk, in Light Scattering Near Phase Transitions, Modern Problems in Condensed Matter Sciences (Elsevier Science, 1983).
S. Stoughton, M. Showak, Q. Mao, P. Koirala, D. A. Hillsberry, S. Sallis, L. F. Kourkoutis, K. Nguyen, L. F. J. Piper, D. A. Tenne, N. J. Podraza, D. A. Muller, C. Adamo, and D. G. Schlom, "Adsorption-controlled growth of BiVO4by molecular-beam epitaxy," APL Mater. 1, 042112 (2013). 10.1063/1.4824041
H. Luo, A. H. Mueller, T. M. McCleskey, A. K. Burrell, E. Bauer, and Q. X. Jia, "Structural and photoelectrochemical properties of BiVO4thin films," J. Phys. Chem. C 112, 6099 (2008). 10.1021/jp7113187
B. Zhou, J. Qu, X. Zhao, and H. Liu, "Fabrication and photoelectrocatalytic properties of nanocrystalline monoclinic BiVO4thin-film electrode," J. Environ. Sci. 23, 151 (2011). 10.1016/s1001-0742(10)60387-7
Z. Zhao, Z. Li, and Z. Zou, "Electronic structure and optical properties of monoclinic clinobisvanite BiVO4," Phys. Chem. Chem. Phys. 13, 4746 (2011). 10.1039/c0cp01871f
K. Ding, B. Chen, Z. Fang, and Y. Zhang, "Density functional theory study on the electronic and optical properties of three crystalline phases of BiVO4," Theor. Chem. Acc. 132, 1352 (2013). 10.1007/s00214-013-1352-x
F. Demichelis, G. Kaniadakis, A. Tagliaferro, and E. Tresso, "New approach to optical analysis of absorbing thin solid films," Appl. Opt. 26, 1737 (1987). 10.1364/ao.26.001737
J. I. Pankove, Optical Processes in Semiconductors (Dover, New York, 1975).
K. Aizu, "Determination of the state parameters and formulation of spontaneous strain for ferroelastics," J. Phys. Soc. Jpn. 28, 706 (1970). 10.1143/jpsj.28.706
N. Wadnerkar and N. J. English, "Density functional theory investigations of bismuth vanadate: Effect of hybrid functionals," Comput. Mater. Sci. 74, 33 (2013). 10.1016/j.commatsci.2013.03.015
E. K. H. Salje, B. Wruck, and H. Thomas, "Order-parameter saturation and lowerature extension of Landau theory," Z. Phys. B: Condens. Matter 82, 399 (1991). 10.1007/bf01357186
I. A. Vainshtein, A. F. Zatsepin, and V. S. Kortov, "Applicability of the empirical Varshni relation for the temperature dependence of the width of the band gap," Phys. Solid State 41, 905 (1999). 10.1134/1.1130901
I. G. Wood, "Spontaneous birefringence of ferroelastic BiVO4and LaNbO4between 10 K and T c ," J. Phys. C: Solid State Phys. 17, L539 (1984). 10.1088/0022-3719/17/21/003
