Discovery of novel phosphors for use in light emitting diodes using heuristics optimization-assisted combinatorial chemistry

Non-dominated sorting genetic algorithm (NSGA) and particle swarm optimization (PSO), the most well-known population-based heuristics optimization techniques, were used along with high-throughput synthesis and a characterization technique to discover a new alkali-alkaline earth-phosphate phosphor in...

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Bibliographic Details
Published in:Journal of materials chemistry 2012-01, Vol.22 (17), p.8505-8511
Main Authors: Son, Kyung Hyun, Singh, Satendra Pal, Sohn, Kee-Sun
Format: Article
Language:English
Subjects:
Combinatorial analysis
Heuristic
Mathematical models
Optimization
Phosphors
Screening
Searching
White light
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Summary:Non-dominated sorting genetic algorithm (NSGA) and particle swarm optimization (PSO), the most well-known population-based heuristics optimization techniques, were used along with high-throughput synthesis and a characterization technique to discover a new alkali-alkaline earth-phosphate phosphor in a multi-compositional search space that consisted of 10 oxides: Li sub(2)O, K sub(2)O, Na sub(2)O, SrO, CaO, BaO, MgO, ZnO, P sub(2)O sub(5), and Eu sub(2)O sub(3). Because the number of possible combinatorial candidates in this search space was infinite, a simple high-throughput process would not have accomplished an effective screening. We employed NSGA for a preliminary screening in terms of luminescence intensities at excitations of 254 and 390 nm. Following the NSGA implementation, a fine-tuning process was implemented using PSO in a reduced composition space. In contrast to model-based simulations, we used high-throughput experimentation (HTE) for the experimental evaluation of objective functions in NSGA and PSO executions. As a result, we pinpointed a promising green-light-emitting phosphor, K sub(0.2188)Sr sub(0.0045)Ba sub(0.1079)Ca sub(0.3647)P sub( 0.2977)O sub() delta Eu sub(0.0065), exhibiting a monoclinic structure with unit cell parameters, a= 13.2229(1), b= 9.40612(1), c= 12.9628(1), beta = 106.765, in the P2 sub(1)/aspace group, which has potential for use in white light emitting diodes (LEDs).
ISSN:0959-9428
1364-5501
DOI:10.1039/c2jm30280b