Multislice frozen phonon high angle annular dark-field image simulation study of Mo-V-Nb-Te-O complex oxidation catalyst "M1"

Ultramicroscopy

Volumn 112, Issue 1, 2012, Pages 69-75

  Blom, Douglas A ^a  

^a UNIVERSITY OF SOUTH CAROLINA   (United States)

Author keywords

Debye Waller factor; Frozen phonon; Propane ammoxidation

Indexed keywords

CATALYSTS; ELECTRON SCATTERING; NIOBIUM COMPOUNDS; PHONONS; POSITIVE IONS; RIETVELD REFINEMENT; TELLURIUM COMPOUNDS;

AMMOXIDATION CATALYSTS; DEBYE WALLER FACTOR; HIGH ANGLE ANNULAR DARK FIELD IMAGING (HAADF); HIGH-ANGLE ANNULAR DARK-FIELD IMAGES; OXIDATION CATALYSTS; PARTIAL SUBSTITUTION; PROPANE AMMOXIDATION; QUANTITATIVE MICROSCOPY;

MOLYBDENUM COMPOUNDS;

CATION; MOLYBDENUM; NIOBIUM; OXYGEN; TELLURIUM; VANADIUM;

ACCURACY; ARTICLE; CALCULATION; CATALYST; ELECTRON; GEOMETRY; HIGH ANGLE ANNULAR DARK FIELD IMAGING; IMAGING; MULTISLICE FROZEN PHONON; PHONON; PHYSICAL PARAMETERS; POWDER; SIMULATION; THERMAL PARAMETERS; THICKNESS;

EID: 81255163645     PISSN: 03043991     EISSN: 18792723     Source Type: Journal    
DOI: 10.1016/j.ultramic.2011.09.019     Document Type: Article

References (39)

1. Crewe A.V., Wall J., Langmore L. Visibility of single atoms. Nature 1970, 168:1338-1340.
2. Pennycook S.J., Boatner L.A. Chemically sensitive structure-imaging with a scanning transmission electron microscope. Science 1988, 336:565-567.
3. Hartel P., Rose H., Dinges C. Conditions and reasons for incoherent imaging in STEM. Ultramicroscopy 1996, 63:93-114.
4. Robb P.D., Craven A.J. Column ratio mapping: a processing technique for atomic resolution high-angle annular dark-field (HAADF) images. Ultramicroscopy 2008, 109:61-69.
5. Molina S.I., Sales D.L., Galindo P.L., Fuster D., González Y., Alén B., González L., Varela M., Pennycook S.J. Column-by-column compositional mapping by Z-contrast imaging. Ultramicroscopy 2009, 109:172-176.
6. Van Aert S., Verbeeck J., Erni R., Bals S., Luysburg M., Van Dyck D., Van Tendeloo G. Quantitative atomic resolution mapping using high-angle annular dark field scanning transmission electron microscopy. Ultramicroscopy 2009, 109:1236-1244.
7. Hillyard S., Loane R.F., Silcox J. Annular dark-field imaging: resolution and thickness effects. Ultramicroscopy 1993, 49:14-25.
8. Voyles P.M., Muller D.A., Grazul J.L., Citrin P.H., Gossmann H.-J.L. Atomic-scale imaging of individual dopant atoms and clusters in highly n-type bulk Si. Nature 2002, 416:826-829.
9. Voyles P.M., Grazul J.L., Muller D.A. Imaging individual atoms inside crystals with ADF-STEM. Ultramicroscopy 2003, 96:251-273.
10. 46: synthesis and characterization. Journal of the American Chemical Society 2007, 129:13857-13862.
11. 46. Inorganic Chemistry 2010, 49:815-822.
12. Molina S.I., Guerrero M.P., Galindo P.L., Sales D.L., Varela M., Pennycook S.J. Calculation of integrated intensities in aberration-corrected Z-contrast images. Journal of Electron Microscopy (Tokyo) 2011, 60:29-33.
13. LeBeau J.M., Stemmer S. Experimental quantification of annular dark-field images in scanning transmission electron microscopy. Ultramicroscopy 2008, 108:1653-1658.
14. LeBeau J.M., Findlay S.D., Allen L.J., Stemmer S. Quantitative atomic resolution scanning transmission electron microscopy. Physical Review Letters 2008, 100:206101.
15. LeBeau J.M., Findlay S.D., Wang X., Jacobson A.J., Allen L.J., Stemmer S. High-angle scattering of fast electrons from crystals containing heavy elements: simulation and experiment. Physical Review B 2009, 79.
16. 1-xN/GaN using high-angle annular dark field images. Ultramicroscopy 2009, 109:1171-1182.
17. Kim S., Oshima Y., Sawada H., Kaneyama T., Kondo Y., Takeguchi M., Nakayama Y., Tanishio Y., Takayanagi K. Quantitative annular dark-field STEM images of silicon crystal using a large-angle convergent electron probe with a 300-kV cold field-emission gun. Journal of Electron Microscopy 2011, 60:109-116.
18. Grasselli R.K. Fundamental principles of selective heterogeneous oxidation catalysis. Topics in Catalysis 2002, 21:79-88.
19. Grasselli R.K., Burrington J.D. Selective oxidation and ammoxidation of propylene by heterogeneous catalysis. Advances in Catalysis 1981, 30:133-163.
20. Holmberg J., Grasselli R.K., Anderrson A. Catalytic behaviour of M1, M2 and M1/M1 physical mixtures of the Mo-V-Nb-Te-oxide system in propane and propene ammoxidation. Applied Catalysis A 2004, 270:121-134.
21. DeSanto P., Buttrey D.J., Grasselli R.K., Lugmair C.G., Volpe A.F. Structural aspects of the M1 and M2 phases in MoVNBTeO propane ammoxidation catalysts. Zeitschrift für Kristallographie 2004, 219:152-165.
22. Pyrz W.D., Blom D.A., Vogt T., Buttrey D.J. Direct imaging of the MoVTeNbO M1 phase using an aberration-corrected high-resolution scanning transmission electron microscope. Angewandte Chemie International Edition 2008, 47.
23. Li X., Buttrey D.J., Blom D.A., Vogt T. Improvement of the structural model for the M1 phase Mo-V-Nb-Te-O propane (amm)oxidation catalyst. Topics in Catalysis 2011, 54:614-626.
24. Blom D.A., Li X., Mitra S., Vogt T., Buttrey D.J. STEM HAADF image simulation of the orthorhombic M1 phase in the Mo-V-Nb-Te-O propane oxidation catalyst. ChemCatChem 2011.
25. Pyrz W.D., Blom D.A., Shiju N.R., Guliants V.V., Vogt T., Buttrey D.J. Using aberration corrected STEM imaging to explore chemical and structural variations in the M1 phase of the MoVNbTeO oxidation catalyst. Journal of Physical Chemistry C 2008, 112:10043-10049.
26. Pyrz W.D., Blom D.A., Shiju N.R., Guliants V.V., Vogt T., Buttrey D.J. The effect of Nb or Ta substitution into the M1 phase of the MoV(Nb,Ta)TeO selective oxidation catalyst. Catalysis Today 2009, 142:320-328.
27. 21 polyoxometalate building blocks. Angewandte Chemie International Edition 2009, 48:3782-3786.
28. Blom D.A., Pyrz W.D., Vogt T., Buttrey D.J. Aberration-corrected STEM investigation of the M2 phase of MoVNbTeO selective oxidation catalyst. Journal of Electron Microscopy 2009, 58:193-198.
29. Pyrz W.D., Blom D.A., Sadakane M., Kodato K., Ueda W., Vogt T., Buttrey D.J. Atomic-scale investigation of two-component MoVO complex oxide catalysts using aberration-corrected high-angle annular dark-field imaging. Chemistry of Materials 2010, 22:2033-2040.
30. Pyrz W.D., Blom D.A., Sadakane M., Kodato K., Ueda W., Vogt T., Buttrey D.J. Atomic-level imaging of Mo-V-O complex oxide phase intergrowth, grain boundaries, and defects using HAADF-STEM. Proceedings of the National Academy of Sciences of the United States of America 2010, 107:6152-6157.
31. Kirkland E.J. Advanced Computing in Electron Microscopy 1998, Plenum, New York.
32. Klenov D.O., Stemmer S. Contributions to the contrast in experimental high-angle annular dark-field images. Ultramicroscopy 2006, 106:889-901.
33. Carlino E., Grillo V. Atomic-resolution quantitative composition analysis using scanning transmission electron microscopy Z-contrast experiments. Physical Review B 2005, 71.
34. Dwyer C. Simulation of scanning transmission electron microscope images on desktop computers. Ultramicroscopy 2010, 110:195-198.
35. Klenov D.O., Findlay S.D., Allen L.J., Stemmer S. Influence of orientation on the contrast of high-angle annular dark-field images of silicon. Physical Review B 2007, 76:014111.
36. Hillyard S., Silcox J. Detector geometry, thermal diffuse scattering and strain effects in ADF STEM imaging. Ultramicroscopy 1995, 58:6-17.
37. 2 (110). Ultramicroscopy 2009, 109:1435-1446.
38. Ishizuka K. A practical approach for STEM image simulation based on the FFT multislice method. Ultramicroscopy 2002, 90:71-83.
39. 6. Ultramicroscopy 2009, 109:361-367.