PDF analysis - from atomic displacements to nanocrystals
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| 024 | 7 | 0 | |a 10.1524/zkri.219.3.136.29098 |2 doi |
| 035 | |a (NATIONALLICENCE)gruyter-10.1524/zkri.219.3.136.29098 | ||
| 245 | 0 | 0 | |a PDF analysis - from atomic displacements to nanocrystals |h [Elektronische Daten] |c [Wojtek Dmowski, Karen E. Swider-Lyons] |
| 520 | 3 | |a Atomic pair-density function (PDF) analysis is an ideal approach for examining the local- and medium-range atomic structures of materials. PDF has been widely used in the studies of glasses and liquids and has also been applied successfully to characterize the local and complex structures of crystalline solids. Using PDF analysis, we demonstrate that important conclusions can be drawn about how the short-and long-range atomic structure of several oxide and hydrous oxide materials relates to their physical and electrochemical properties. For example, in Pb based ferroelectric relaxors, the diffraction pattern suggests a simple perovskite structure, while the PDF analysis shows that, in reality, the Pb atoms are strongly displaced from the high symmetry positions, so they can contribute to the electrical polarization. In hydrous ruthenium dioxide, RuO2 · x H2O, standard X-ray diffraction patterns suggest an "amorphous” structure. However, the PDF method shows that the medium range structure of RuO2 · x H2O is a highly inhomogeneous nanocomposite of ruthenium oxide nanocrystals, dispersed by boundaries of structural water associated with Ru-O. The nanocomposite structure correlates to the unique electrochemical performance of the hydrous RuO2. | |
| 540 | |a © 2004 Oldenbourg Wissenschaftsverlag GmbH | ||
| 690 | 7 | |a Crystallography |2 nationallicence | |
| 690 | 7 | |a Inorganic chemistry |2 nationallicence | |
| 690 | 7 | |a Organic chemistry |2 nationallicence | |
| 700 | 1 | |a Dmowski |D Wojtek |4 aut | |
| 700 | 1 | |a Swider-Lyons |D Karen E. |4 aut | |
| 773 | 0 | |t Zeitschrift für Kristallographie - Crystalline Materials |d De Gruyter Oldenbourg |g 219/3(2004-03-01), 136-142 |x 2194-4946 |q 219:3<136 |1 2004 |2 219 |o zkri | |
| 856 | 4 | 0 | |u https://doi.org/10.1524/zkri.219.3.136.29098 |q text/html |z Onlinezugriff via DOI |
| 908 | |D 1 |a research article |2 jats | ||
| 950 | |B NATIONALLICENCE |P 856 |E 40 |u https://doi.org/10.1524/zkri.219.3.136.29098 |q text/html |z Onlinezugriff via DOI | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Dmowski |D Wojtek |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Swider-Lyons |D Karen E. |4 aut | ||
| 950 | |B NATIONALLICENCE |P 773 |E 0- |t Zeitschrift für Kristallographie - Crystalline Materials |d De Gruyter Oldenbourg |g 219/3(2004-03-01), 136-142 |x 2194-4946 |q 219:3<136 |1 2004 |2 219 |o zkri | ||
| 900 | 7 | |b CC0 |u http://creativecommons.org/publicdomain/zero/1.0 |2 nationallicence | |
| 898 | |a BK010053 |b XK010053 |c XK010000 | ||
| 949 | |B NATIONALLICENCE |F NATIONALLICENCE |b NL-gruyter | ||