Structural properties of iron-phosphate glasses: Spectroscopic studies and ab initio simulations

Physical Chemistry Chemical Physics

Volumn 16, Issue 37, 2014, Pages 19917-19927

  Stoch, Pawel ^a   Szczerba, Wojciech ^b   Bodnar, Wiktor ^c   Ciecinska, Malgorzata ^a   Stoch, Agata ^d   Burkel, Eberhard ^c  

^a AGH UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Poland)

^b BAM FEDERAL INSTITUTE FOR MATERIALS RESEARCH AND TESTING   (Germany)

^c UNIVERSITY OF ROSTOCK   (Germany)

^d ukasiewicz Research Network Institute of Microelectronics and Photonics   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84907059513     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/c4cp03113j     Document Type: Article

References (44)

1. I. W. Donald Glass Technol., 2007, 48, 155-163
2. I. Ojovan, W. Lee, and W. Lee, An Introduction to Nuclear Waste Immobilisation, Elsevier Science, 2010
3. I. Wacawska, M. Szumera J. Therm. Anal. Calorim., 2010, 101, 423-427
4. R. K. Brow J. Non-Cryst. Solids, 2000, 263-264, 1-28
5. C.-W. Kim, D. E. Day J. Non-Cryst. Solids, 2003, 331, 20-31
6. P. A. Bingham, R. J. Hand, and C. R. Scales, Symposium Scientific Basis for Nuclear Waste Management XXIX, 2006
7. U. Hoppe J. Non-Cryst. Solids, 1996, 195, 138-147
8. J. Shelby, Introduction to Glass Science and Technology, Royal Society of Chemistry, 2005
9. F. Wedgwood, A. Wright J. Non-Cryst. Solids, 1976, 21, 95-105
10. G. Marasinghe, M. Karabulut, C. Ray, D. Day, M. Shumsky, W. Yelon, C. Booth, P. Allen, D. Shuh J. Non-Cryst. Solids, 1997, 222, 144-152
11. A. C. Wright, R. N. Sinclair, J. L. Shaw, R. Haworth, G. K. Marasinghe, D. E. Day, P. A. Bingham, S. D. Forder, G. J. Cuello, H. E. Fischer Phys. Chem. Glasses: Eur. J. Glass Sci. Technol., Part B, 2012, 53, 227-244
12. J. L. Shaw, A. C. Wright, R. N. Sinclair, G. K. Marasinghe, D. Holland, M. R. Lees, C. R. Scales J. Non-Cryst. Solids, 2004, 345-346, 245-250
13. H. Akamatsu, S. Oku, K. Fujita, S. Murai, K. Tanaka Phys. Rev. B: Condens. Matter Mater. Phys., 2009, 80, 134408.
14. K. Joseph, M. Premila, G. Amarendra, K. G. Kutty, C. Sundar, P. V. Rao J. Nucl. Mater., 2012, 420, 49-53
15. K. Joseph, K. G. Kutty, P. Chandramohan, P. V. Rao J. Nucl. Mater., 2009, 384, 262-267
16. P. Stoch, M. Ciecinska, A. Stoch J. Therm. Anal. Calorim., 2014, 117, 197-204
17. H. Riesemeier, K. Ecker, W. Görner, B. Müller, M. Radtke, M. Krumrey X-Ray Spectrom., 2005, 34, 160-163
18. B. Ravel, M. Newville J. Synchrotron Radiat., 2005, 12, 537-541
19. S. M. Heald, E. A. Stern Phys. Rev. B: Solid State, 1977, 16, 5549-5559
20. G. Bunker, Introduction to XAFS: A Practical Guide to X-ray Absorption Fine Structure Spectroscopy, Cambridge University Press, 2010
21. C. Wivel, S. Morup J. Phys. E: Sci. Instrum., 1981, 14, 605.
22. H. Alberto, J. P. da Cunha, B. Mysen, J. Gil, N. A. de Campos J. Non-Cryst. Solids, 1996, 194, 48-57
23. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery Jr, J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, Ö. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, and D. J. Fox, Gaussian 09 Revision D.01, Gaussian Inc., Wallingford CT, 2009
24. A. C. Wright, R. N. Sinclair, J. L. Shaw, R. Haworth, G. K. Marasinghe, D. E. Day Phys. Chem. Glasses: Eur. J. Glass Sci. Technol., Part B, 2008, 49, 1-7
25. U. Hoppe, G. Walter, R. Kranold, D. Stachel J. Non-Cryst. Solids, 2000, 263-264, 29-47
26. B. Al-Hasni, G. Mountjoy J. Non-Cryst. Solids, 2011, 357, 2775-2779
27. B. M. Al-Hasni, G. Mountjoy, E. Barney J. Non-Cryst. Solids, 2013, 380, 141-152
28. J. P. Foster, F. Weinhold J. Am. Chem. Soc., 1980, 102, 7211-7218
29. F. Weinhold, and C. R. Landis, Discovering Chemistry with Natural Bond Orbitals, John Wiley and Sons, Inc., 2012
30. L. Zhang, R. K. Brow J. Am. Ceram. Soc., 2011, 94, 3123-3130
31. Y. Lai, X. Liang, S. Yang, J. Wang, L. Cao, B. Dai J. Mol. Struct., 2011, 992, 84-88
32. C. Kim, C. Ray, D. Zhu, D. Day, D. Gombert, A. Aloy, A. Mogu-Milankovi, M. Karabulut J. Nucl. Mater., 2003, 322, 152-164
33. C.-W. Kim, D. E. Day J. Non-Cryst. Solids, 2003, 331, 20-31
34. T. Jermoumi, M. Hafid, N. Niegisch, M. Mennig, A. Sabir, N. Toreis Mater. Res. Bull., 2002, 37, 49-57
35. C. Cramer, Essentials of Computational Chemistry: Theories and Models, Wiley, 2005
36. P. Stoch, M. Ciecinska, P. Zachariasz, J. Suwalski, L. Gorski, T. Wojcik Nukleonika, 2013, 58, 63-66
37. I. Shino, Z. Li Am. Mineral., 1998, 83, 1316-1322
38. U. Hoppe, M. Karabulut, E. Metwalli, R. K. Brow, P. Jóvári J. Phys.: Condens. Matter, 2003, 15, 6143.
39. J. Millet, C. Virely, M. Forissier, P. Bussiére, J. Vedrine Hyperfine Interact., 1989, 46, 619-628
40. L. Aldon, A. Perea, M. Womes, C. Ionica-Bousquet, J.-C. Jumas J. Solid State Chem., 2010, 183, 218-222
41. H. Bertagnolli, T. S. Ertel Angew. Chem., Int. Ed. Engl., 1994, 33, 45-66
42. J. J. Rehr, J. J. Kas, F. D. Vila, M. P. Prange, K. Jorissen Phys. Chem. Chem. Phys., 2010, 12, 5503-5513
43. M. Karabulut, G. Marasinghe, C. Ray, D. Day, G. Waddill, C. Booth, P. Allen, J. Bucher, D. Caulder, D. Shuh J. Non-Cryst. Solids, 2002, 306, 182-192
44. J. Rehr, A. Ankudinov Coord. Chem. Rev., 2005, 249, 131-140