Isostructural second-order phase transition of β-Bi2O3 at high pressures: An experimental and theoretical study

Journal of Physical Chemistry C

Volumn 118, Issue 40, 2014, Pages 23189-23201

  Pereira, A L J ^a   Sans, J A ^a   Vilaplana, R ^a   Gomis, O ^a   Manjon F J ^a   Rodriguez Hernandez P ^b   Munoz A ^b   Popescu, C ^c   Beltran A ^d  

^a UNIVERSITAT POLITÈCNICA DE VALÈNCIA   (Spain)

^b UNIVERSIDAD DE LA LAGUNA   (Spain)

^c ALBA SYNCHROTRON LIGHT SOURCE   (Spain)

^d UNIVERSITAT JAUME I   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

BISMUTH METALLOGRAPHY; CALCULATIONS; CRYSTAL LATTICES; ISOMERS; RAMAN SCATTERING; X RAY DIFFRACTION;

AB INITIO TOTAL ENERGY; ISO-STRUCTURAL TRANSITION; PRESSURE-INDUCED DECOMPOSITIONS; RAMAN SCATTERING MEASUREMENTS; SECOND-ORDER PHASE TRANSITION; THEORETICAL CALCULATIONS; VIBRATIONAL PROPERTIES; X-RAY DIFFRACTION MEASUREMENTS;

BISMUTH COMPOUNDS;

EID: 84908013103     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp507826j     Document Type: Article

References (77)

1. 3 Photocatalyst for Efficient Removal of Gaseous NO and HCHO under Visible Light Irradiation J. Alloys Compd. 2011, 509, 2044-2049
2. 2 Heterojunctions Catal. Today 2005, 101, 315-321
3. 3 as a Selective Sensing Material for NO Detection Sens. Actuators, B 2004, 99, 74-89
4. 3 Hierarchical Nanostructures: Controllable Synthesis, Growth Mechanism, and their Application in Photocatalysis Chem. - Eur. J. 2009, 15, 1776-1782
5. 3 Nanobelts for Supercapacitor Applications Chem. Commun. (Cambridge, U.K.) 2010, 46, 5021-5023
6. 2 Composite Photocatalysts J. Alloys Compd. 2010, 498, 179-184
7. Bhande, S. S.; Mane, R. S.; Ghule, A. V.; Han, S. H. A Bismuth Oxide Nanoplate-Based Carbon Dioxide Gas Sensor Scr. Mater. 2011, 65, 1081-1084
8. Orera, A.; Slater, P. R. New Chemical Systems for Solid Oxide Fuel Cells Chem. Mater. 2010, 22, 675-690
9. 3 Solid State Ionics 1996, 89, 179-196
10. Kharton, V. V.; Marques, F. M. B.; Atkinson, A. Transport Properties of Solid Oxide Electrolyte Ceramics: A Brief Review Solid State Ionics 2004, 174, 135-149
11. Hull, S. Superionics: Crystal Structures and Conduction Processes Rep. Prog. Phys. 2004, 67, 1233-1314
12. 5+δ Cathode for Intermediate-Temperature Solid Oxide Fuel Cells Ceram. Int. 2014, 40, 2599-2603
13. Elbatal, F. H. Gamma Ray Interaction with Bismuth Silicate Glasses Nucl. Instr. Methods Phys. Res., Sect. B 2007, 254, 243-253
14. Bajaj, A.; Khanna, A.; Chen, B. G.; Longstaffe, J. G.; Zwanziger, U.-W.; Zwanziger, J. W.; Gómez, Y.; González, F. Structural Investigation of Bismuth Borate Glasses and Crystalline Phases J. Non-Cryst. Solids 2009, 355, 45-53
15. 3, PbO and BaO in Silicate Glass System at 662 keV for Development of Gamma-Rays Shielding Materials. Progress in Nuclear Science and Technology, Proceedings of the Fifth International Symposium on Radiation Safety and Detection Technology (ISORD-5), Kitakyushu, Japan, July 15-17, 2009; Atomic Energy Society of Japan: Tokyo, Japan, 2011; pp 106-109.
16. Won-in, K.; Pongkrapan, S.; Dararutana, P. Eco-Glass Based on Thailand Quartz Sands and Bismuth Oxide Mater. Sci. Forum 2011, 695, 223-226
17. 3 Based Glasses for Electronics and Related Applications Int. Mater. Rev. 2013, 58, 3-40
18. Iyyapushpam, S.; Nishanthi, S. T.; Padiyan, D. P. Synthesis of Room Temperature Bismuth Oxide and Its Photocatalytic Activity Mater. Lett. 2012, 86, 25-27
19. 3 Visible Light-Driven Photocatalyst by Dispersant and Calcinations J. Alloys Compd. 2014, 585, 85-93
20. 3 Polymorphs in a Defective Fluorite Family Derived by Systematic First-Principle Lattice Dynamics Calculation Phys. Rev. B: Condens. Matter Mater. Phys. 2010, 81, 094117
21. 3 Crystal Polymorphs Phys. Rev. B: Condens. Matter Mater. Phys. 2011, 83, 214110
22. Harwig, H. A. On the Structure of Bismuthsesquioxide: α, β, γ and δ-Phase Z. Anorg. Allg. Chem. 1978, 444, 151-166
23. Sammes, N. M.; Tompsett, G. A.; Nafe, H.; Aldinger, F. Bismuth Based Oxide Electrolytes-Structure and Ionic Conductivity J. Eur. Cer. Soc. 1999, 19, 1801-1826
24. 3 Prepared by Thermal Oxidation of Bismuth Nano-Particles Superficies Vacio 2005, 18 (3) 4-8
25. 3 Containing Mixed Dopants J. Am. Ceram. Soc. 2002, 85, 2633-2636
26. 3 Thin Films Solid State Ionics 2014, 225, 147-152
27. 3 Hollow Spheres and Their Visible Light Photocatalytic Activity for Water Purification J. Alloys Compd. 2014, 605, 102-108
28. 3 Powder Diffr. 1997, 12, 90-92
29. 3 Mater. Res. Soc. Symp. Proc. 1999, 547, 227-232
30. 3: Crystal Structure and Electronic Properties Phys. Rev. B: Condens. Matter Mater. Phys. 2010, 82, 024106
31. 3 Phys. Rev. B: Condens. Matter Mater. Phys. 2011, 83, 214102
32. 3 under Hydrostatic Pressure: Observation of a Pressure-Induced Amorphisation Solid State Commun. 2000, 113, 125-129
33. Pereira, A. L. J.; Errandonea, D.; Beltrán, A.; Gracia, L.; Gomis, O.; Sans, J. A.; García-Domene, B.; Miquel-Veyrat, A.; Manjón, F. J.; Muñoz, A.; Popescu, C. Structural Study of α-Bi2O3 under Pressure J. Phys.: Condens. Matter 2013, 25, 475402
34. 3: An Experimental and Theoretical Study J. Phys. Cond. Matter 2014, 26, 225401
35. 3 Polymorphs Phys. Chem. Chem. Phys. 2010, 12, 15468-15475
36. 3 Thin Films and Electrospun Nanofiber Mats Chem. Mater. 2010, 22, 3079-3085
37. 3 by co-Doping for Realized Photocatalytic Hydrogen Generation Chem. Phys. Lett. 2014, 601, 92-97
38. Fauth, F.; Peral, I.; Popescu, C.; Knapp, M. The New Material Science Powder Diffraction Beamline at ALBA Synchrotron Powder. Diffr. 2013, 28, S360-S370
39. Mao, M. K.; Xu, J.; Bell, P. M. Calibration of the Ruby Pressure Gauge to 800 kbar under Quasi-Hydrostatic Conditions J. Geophys. Res. 1986, 91, 4673-4676
40. Hammersley, A. P.; Svensson, S. O.; Hanfland, M.; Fitch, A. N.; Häusermann, D. Two-Dimensional Detector Software: From Real Detector to Idealized Image or Two-Theta Scan High Pressure Res. 1996, 14, 235-248
41. Kraus, W.; Nolze, G. POWDER CELL-A Program for the Representation and Manipulation of Crystal Structures and Calculation of the Resulting X-Ray Powder Patterns J. Appl. Crystallogr. 1996, 29, 301-303
42. Larson, A. C.; von Dreele, R. B. LANL Report 2004, 86-748.
43. Toby, B. H. EXPGUI, A Graphical User Interface for GSAS J. Appl. Crystallogr. 2001, 34, 210-213
44. Balic-Zunic, T.; Vickovic, I. IVTON-Program for the Calculation of Geometrical Aspects of Crystal Structures and Some Crystal Chemical Applications J. Appl. Crystallogr. 1996, 29, 305-306
45. Debernardi, A.; Urlich, C.; Cardona, M.; Syassen, K. Pressure Dependence of Raman Linewidth in Semiconductors Phys. Status Solidi B 2001, 223, 213-223
46. Hohenberg, P.; Kohn, W. Inhomogeneous Electron Gas Phys. Rev. 1964, 136, 3864
47. Blöchl, P. E. Projector augmented-wave method Phys. Rev. B: Condens. Matter Mater. Phys. 1994, 50, 17953-17979
48. Perdew, J. P.; Ruzsinszky, A.; Csonka, G. I.; Vydrow, O. A.; Suseria, G. E.; Constantin, L. A.; Zhou, X.; Burke, K. Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces Phys. Rev. Lett. 2008, 100, 136406
49. 2 Phys. Rev. Lett. 1997, 78, 4063-4066
50. 3 J. Phys. Chem. A 2014, 118, 1713-1720
51. 3 from Powder Neutron Diffraction Data Acta Crystallogr. 1988, 44, 587-589
52. 3 Prepared By Thermal Oxidation of Bismuth Nano-Particles Superficies Vacio 2005, 18 (3) 4-8
53. 3 by Controlled Transformation Rate Thermal Analysis: A New Route for This Oxide? Solid State Ionics 2003, 157, 163-169
54. Chen, R.; Shen, Z.-R.; Wang, H.; Zhou, H.-J.; Liu, Y.-P.; Ding, D.-T.; Chen, T.-H. Fabrication of Mesh-Like Bismuth Oxide Single Crystalline Nanoflakes and Their Visible Light Photocatalytic Activity J. Alloys Compd. 2011, 509, 2588-2596
55. 3: Phase-Selective Synthesis and Application in Photocatalysis CrystEngComm 2011, 13, 1843-1850
56. 3 by Hafnia Solid State Commun. 1996, 99, 451-455
57. 2 System J. Solid State Chem. 2008, 181, 1321-1329
58. Akahama, Y.; Kawamura, H.; Singh, A. K. Equation of states of Bismuth to 222 GPa and Comparison of Gold and Platinum Pressure Scales to 145 GPa J. Appl. Phys. 2002, 92, 5892-5897
59. Frogley, M. D.; Sly, J. L.; Dunstan, D. J. Pressure Dependence of the Direct Band Gap in Tetrahedral Semiconductors Phys. Rev. B: Condens. Matter Mater. Phys. 1998, 58, 12579-12582
60. 3 under High Pressure Phys. Rev. B: Condens. Matter Mater. Phys. 2012, 85, 174108
61. Schneider, V. E.; Tornau, E. E. On the Theory of Isostructural Phase Transition in Crystals Phys. Status Solidi B 1982, 111, 565-574
62. 5 J. Phys.: Condes. Matter 2013, 32, 325401
63. 9 up to 50 GPa and Crystal Structure of the High-Pressure Phase Acta Crystallogr., Sect. B: Struct. Sci. 2010, 66, 323-337
64. Zunic, T. B.; Makovicky, E. Determination of the Centroid or 'The Best Centre' of a Coordination Polyhedron Acta Crystallogr., Sect. B: Struct. Sci. 1996, 52, 78-81
65. 3 J. Solid State Chem. 2010, 183, 2133-2143
66. 3 between 0 and 10 GPa Phys. Chem. Miner. 2005, 32, 578-584
67. 4): Elastic Properties and High-Pressure Crystal Chemistry Phys. Chem. Miner. 2007, 34, 467-475
68. 6: A Pressure-Induced, Reversible Phase Transition with Migration of Chemical Bonds Inorg. Chem. 2008, 47, 6756-6762
69. 9 Phys. Chem. Miner. 2011, 38, 1-10
70. 9 J. Phys.: Condens. Matter 2012, 24, 145401
71. 4: Lone Pairs vs Inert Pairs Inorg. Chem. 2007, 46, 3839-3850
72. 3 J. Phys.: Condens. Matter 1997, 9, 4967-4978
73. Olijnyk, H.; Nakano, S.; Takemura, K. First- and Second Order Raman Scattering in Sb and Bi at High Pressure Phys. Status Solidi B 2007, 10, 3572-3582
74. 8 Molecular Lattice in the ε Phase of Solid Oxygen Nature (London, U.K.) 2006, 443, 201-204
75. Weck, G.; Loubeyre, P.; LeToullec, R. Observation of Structural Transition in Metal Oxygen Phys. Rev. Lett. 2002, 88, 035504
76. Errandonea, D.; Manjón, F. J. On the Ferroelastic Nature of the Scheelite-to-Fergusonite Phase Transition in Orthotungstates and Orthomolybdates Mater. Res. Bull. 2009, 44, 807-811
77. Dove, M. T. Theory of Displacive Phase Transitions in Minerals Am. Mineral. 1997, 82, 213-244