Combined experimental and first-principles studies of a hydrated uranyl carbonate: Insight into phonon spectra for a core environmental class of uranium materials

Autor: V. G. Ivanov, Nataliya Kalashnyk, Eric Faulques, Dale L. Perry

Publikováno v: Journal of Physics and Chemistry of Solids
Journal of Physics and Chemistry of Solids, Elsevier, 2020, 138, pp.109260. ⟨10.1016/j.jpcs.2019.109260⟩

Density functional theory calculations for an environmentally important crystalline phase of a hydrated uranyl carbonate, liebigite (Ca2UO2(CO3)3·11H2O), were performed at the generalized gradient approximation Perdew-Burke-Ernzherhof functional lev

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::961563780ca7968f4ddd58bbb972c066
https://hal.archives-ouvertes.fr/hal-02994262/document

Exploring Optical and Vibrational Properties of the Uranium Carbonate Andersonite with Spectroscopy and First-Principles Calculations

Autor: Dale L. Perry, Nataliya Kalashnyk, Eric Faulques, Florian Massuyeau

Publikováno v: The Journal of Physical Chemistry C. 122:7410-7420

Original periodic first-principles calculations based on the generalized gradient approximation combined with several analyses in microspectroscopy are presented for a hydrated uranium carbonate crystal, andersonite, possessing a specific channel str

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::076a8ca0de3a406cea94ba259e8a7a32
https://doi.org/10.1021/acs.jpcc.8b00871

The tris(carbonato)dioxouranium(VI) ion: A structural model for uranium 4f7/2, 5/2 X-ray photoelectron spectra satellite structures for oxide and oxygen coordination cores

Autor: Dale L. Perry

Publikováno v: Vacuum. 114:162-165

An ambient pressure synthesis of potassium tris(carbonato)dioxouranium(VI), K4UO2(CO3)3, is reported in which a hydrolyzed uranyl salt (the first report of reacting a non-stoichiometric uranium mixture starting material to form the title compound) is

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::abb3e98ba121c43ae820399f7b107e19
https://doi.org/10.1016/j.vacuum.2014.10.013

Spectroscopic markers for uranium( vi ) phosphates. Part II: the use of time-resolved photoluminescence

Autor: Florian Massuyeau, Nataliya Kalashnyk, Dale L. Perry, Eric Faulques

Publikováno v: RSC Advances
RSC Advances, Royal Society of Chemistry, 2017, 7 (2), pp.919-926. ⟨10.1039/c6ra26157d⟩

Detection of uranium hydrates that are relevant for environmental sustainability and adsorption at surfaces is effected using time-resolved photoluminescence spectroscopy (TRPL) with simultaneous lifetime and spectral acquisitions. The study is the s

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::da7edbe409edb91ee8b3c7bd2fc8737d
https://hal.archives-ouvertes.fr/hal-01720899

Preparation of three new 4′-phenyl-terpyridine–copper(II) complexes containing nicotinate or iso-nicotinate ligands

Autor: Dale L. Perry, Sergio Martínez-Vargas, Arturo I. Martinez, Jesús Valdés-Martínez

Publikováno v: Journal of Molecular Structure. 1033:34-39

Three new copper(II) complexes [Cu(4′-Ph-trpy)(nicotinate)] A and [Cu(4′-Ph-trpy)(iso-nicotinate)] B–C, where 4′-Ph-trpy is 4′-phenyl-2,2′:6′2″-terpyridine, were synthesized. X-ray crystal structures of these compounds demonstrated th

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::049dffa20367c9faf60b6d48d04b68d0
https://doi.org/10.1016/j.molstruc.2012.08.030