caa a22 4500 378892894 CHVBK 20180305123459.0 cr unu---uuuuu 161128e20040301xx s 000 0 eng 10.1524/zkri.219.3.136.29098 doi (NATIONALLICENCE)gruyter-10.1524/zkri.219.3.136.29098 PDF analysis - from atomic displacements to nanocrystals [Elektronische Daten] [Wojtek Dmowski, Karen E. Swider-Lyons] 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. © 2004 Oldenbourg Wissenschaftsverlag GmbH Crystallography nationallicence Inorganic chemistry nationallicence Organic chemistry nationallicence Dmowski Wojtek aut Swider-Lyons Karen E. aut Zeitschrift für Kristallographie - Crystalline Materials De Gruyter Oldenbourg 219/3(2004-03-01), 136-142 2194-4946 219:3<136 2004 219 zkri https://doi.org/10.1524/zkri.219.3.136.29098 text/html Onlinezugriff via DOI 1 research article jats NATIONALLICENCE 856 40 https://doi.org/10.1524/zkri.219.3.136.29098 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Dmowski Wojtek aut NATIONALLICENCE 700 1- Swider-Lyons Karen E. aut NATIONALLICENCE 773 0- Zeitschrift für Kristallographie - Crystalline Materials De Gruyter Oldenbourg 219/3(2004-03-01), 136-142 2194-4946 219:3<136 2004 219 zkri CC0 http://creativecommons.org/publicdomain/zero/1.0 nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-gruyter