3 years ago

Metaheuristics-Assisted Combinatorial Screening of Eu2+-Doped Ca–Sr–Ba–Li–Mg–Al–Si–Ge–N Compositional Space in Search of a Narrow-Band Green Emitting Phosphor and Density Functional Theory Calculations

Metaheuristics-Assisted Combinatorial Screening of Eu2+-Doped Ca–Sr–Ba–Li–Mg–Al–Si–Ge–N Compositional Space in Search of a Narrow-Band Green Emitting Phosphor and Density Functional Theory Calculations
Woon Bae Park, Sung Un Hong, Kee-Sun Sohn, Minseuk Kim, Jin-Woong Lee, Satendra Pal Singh
A metaheuristics computation-oriented approach based on elitism-reinforced nondominated sorting genetic algorithm (NSGA-II) adopted in search of a narrow-band green emitting phosphor in the Eu2+-doped Ca−Sr−Ba−Li−Mg−Al−Si−Ge−N compositional search space finally converged to a BaLi2Al2Si2N6:Eu2+ composition. Photoluminescence study on BaLi2Al2Si2N6:Eu2+ shows emission maxima in the green spectral range at 530 nm with an emission bandwidth at half-maximum of 59 nm. Density functional theory calculations confirm the structural and thermodynamic stability of this phosphor.

Publisher URL: http://dx.doi.org/10.1021/acs.inorgchem.7b01341

DOI: 10.1021/acs.inorgchem.7b01341

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