Vibrational modes of hydrogen in (NH4)H5(PO4)2 (Neutron scattering and simulation)

Autor:	L. S. Smirnov, Sergei I. Troyanov, A. S. Ivanov, M. R. Johnson, Ireneusz Natkaniec
Rok vydání:	2009
Předmět:	Hydrogen Chemistry Phase (matter) Molecular vibration Neutron diffraction chemistry.chemical_element General Materials Science General Chemistry Neutron scattering Atomic physics Condensed Matter Physics Ion
Zdroj:	Crystallography Reports. 54:477-482
ISSN:	1562-689X 1063-7745
Popis:	The vibrational modes of hydrogen in (NH4)H5(PO4)2 have been investigated by inelastic incoherent neutron scattering at temperatures above (220 K) and below (160 and 5 K) the phase-transition point Tc = 180 K. Computer simulation of vibrational modes has been performed for the low-temperature phase (NH4)H5(PO4)2 at 5 K. The calculated generalized incoherent dynamic factor and the partial incoherent dynamic factors for all hydrogens make it possible to identify the observed modes from acid hydrogens and hydrogens of ammonium ions.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::1a2842b2bdb68696586b919e5e163587 https://doi.org/10.1134/s1063774509030171 Zobrazit plný text záznamu Plný text ve formátu PDF