RT info:eu-repo/semantics/article
T1 Properties Design: Prediction and Experimental Validation of the Luminescence Properties of a New Eu(II)‐Based Phosphor
A1 García Fuente, Amador
A1 Baur, Florian
A1 Cimpoesu, Fanica
A1 Vega Hierro, Andrés
A1 Jüstel, Thomas
A1 Urland, Werner
K1 Lanthanides
K1 Lantánidos
K1 Luminescence
K1 Luminiscencia
K1 Density functional theory
K1 Teoría del funcional de densidad
AB We present here our theoretical model that allows topredict, for the first time, the luminescence properties of a newphosphor (BaSnSi3O9:Eu2+) before the experiment is performed. Thepredicted emission wavelength, 488 nm with a 64 nm bandwidth, isconfirmed by subsequent experimental work. The method consists ina multielectronic Hamiltonian parametrized from ab initio calculations.The luminescence properties of other similar compounds(BaHfSi3O9:Eu2+ and BaZrSi3O9:Eu2+), for which there is alreadyexperimental information, are also correctly reproduced.
PB Wiley Online Library
SN 1521-3765
YR 2018
FD 2018
LK http://uvadoc.uva.es/handle/10324/36702
UL http://uvadoc.uva.es/handle/10324/36702
LA eng
NO Chemistry: A European Journal, 2018, vol. 24, n. 61. p. 16276-16281
NO Producción Científica
DS UVaDOC
RD 25-abr-2024