title: Eu(2+)-Activated Phase-Pure Oxonitridosilicate Phosphor in a Ba-Si-O-N System via Facile Silicate-Assisted Routes Designed by First-Principles Thermodynamic Simulation.
abstract: Eu(2+)-activated single phase Ba(2+)-oxonitridosilicate phosphors were prepared under a mild synthetic condition via silicate precursors, and their luminescent properties were investigated. Both the preferred oxonitridosilicate formation as for the available host compounds and thermodynamic stability within the Ba-Si-O-N system were elucidated in detail by the theoretical simulation based on the first-principles density functional theory. Those results can visualize the optimum synthetic conditions for Eu(2+)-activated highly luminescent Ba(2+)-oxonitridosilicates, especially Ba3Si6O12N2, as promising conversion phosphors for white LEDs, including Ba3Si6O9N4 and BaSi2O2N2 phases. To prove the simulated design rule, we synthesized the Ba3Si6O12N2:Eu(2+) phosphor using various silicate precursors, Ba2Si4O10, Ba2Si3O8, and BaSiO3, in a carbothermal reduction ambient and finally succeeded in obtaining a phase of pure highly luminescent oxonitridosilicate phosphor without using any solid-state nitride addition and/or high pressure synthetic procedures. Our study provides useful guidelines for robust synthetic procedures for developing thermally stable rare-earth-ion activated oxonitridosilicate phosphors and an established simulation method that can be effectively applied to other multigas systems.
authors: Materials & Components Research Institute/Convergence Composite Materials Team, Korea Testing & Research Institute , 98 Gyoyukwon-ro, Gwacheon, Gyeonggi-do, 13810, Republic of Korea.
authors: Young Jun
authors: YJ
authors: Yun
authors: Advanced Battery Materials Research Group, Korea Research Institute of Chemical Technology , 141 Gajeongro, Yuseong, Daejeon, 34114, Republic of Korea.
authors: Jin Kyu
authors: JK
authors: Kim
authors: Advanced Battery Materials Research Group, Korea Research Institute of Chemical Technology , 141 Gajeongro, Yuseong, Daejeon, 34114, Republic of Korea.
authors: Ji Young
authors: JY
authors: Ju
authors: Advanced Battery Materials Research Group, Korea Research Institute of Chemical Technology , 141 Gajeongro, Yuseong, Daejeon, 34114, Republic of Korea.
authors: Seul Ki
authors: SK
authors: Choi
authors: Electronic Convergence Materials Division, Korean Institute of Ceramic Engineering and Technology , 101 Soho-ro, Jinju, Gyeongsangnam-do, 52851, Republic of Korea.
authors: Woon Ik
authors: WI
authors: Park
authors: Advanced Battery Materials Research Group, Korea Research Institute of Chemical Technology , 141 Gajeongro, Yuseong, Daejeon, 34114, Republic of Korea.
authors: Ha-Kyun
authors: HK
authors: Jung
authors: Department of Materials Science and Engineering, Inha University , Incheon, 22212, Republic of Korea.
authors: Yongseon
authors: Y
authors: Kim
authors: Advanced Battery Materials Research Group, Korea Research Institute of Chemical Technology , 141 Gajeongro, Yuseong, Daejeon, 34114, Republic of Korea.
authors: Sungho
authors: S
authors: Choi