TY - JOUR
T1 - Phase Transformation of a K2GeF6Polymorph for Phosphors Driven by a Simple Precipitation-Dissolution Equilibrium and Ion Exchange
AU - Lang, Tianchun
AU - Lang, Tianchun
AU - Fang, Shuangqiang
AU - Han, Tao
AU - Wang, Mingguang
AU - Yang, Donglin
AU - Wang, Jun
AU - Cao, Shixiu
AU - Peng, Lingling
AU - Liu, Bitao
AU - Cai, Mingsheng
AU - Zhong, Yang
AU - Korepanov, Vladimir I.
AU - Yakovlev, Aleksey N.
PY - 2020/6/15
Y1 - 2020/6/15
N2 - Tuning crystal phase transformations is very important for obtaining polymorphs for phosphors with the ideal optical properties and stability. Mn4+-doped K2GeF6 (KGF) is a typical polymorphic phosphor, but the thermodynamic and kinetic mechanism of its phase transformation is still unclear. Herein, the phase transformation of polymorphs varying from P63mc KGF and trigonal KGF to P63mc Si4+-doped KGF is realized by introducing the synergistic action of an HF solution and Si4+ ions. The full structural refinements of KGF polymorphs at room temperature and the electronic band structure calculations were performed. The results show that the Si4+-doped hexagonal KGF polymorph with good photoluminescence properties is the most stable phase according to the calculated total energy landscape and relative formation energy. The morphologic changes were monitored in situ to clearly understand the rapid phase transformation mechanism, which proves that the phase transformation is driven by a simple precipitation-dissolution equilibrium and ionic exchange.
AB - Tuning crystal phase transformations is very important for obtaining polymorphs for phosphors with the ideal optical properties and stability. Mn4+-doped K2GeF6 (KGF) is a typical polymorphic phosphor, but the thermodynamic and kinetic mechanism of its phase transformation is still unclear. Herein, the phase transformation of polymorphs varying from P63mc KGF and trigonal KGF to P63mc Si4+-doped KGF is realized by introducing the synergistic action of an HF solution and Si4+ ions. The full structural refinements of KGF polymorphs at room temperature and the electronic band structure calculations were performed. The results show that the Si4+-doped hexagonal KGF polymorph with good photoluminescence properties is the most stable phase according to the calculated total energy landscape and relative formation energy. The morphologic changes were monitored in situ to clearly understand the rapid phase transformation mechanism, which proves that the phase transformation is driven by a simple precipitation-dissolution equilibrium and ionic exchange.
UR - http://www.scopus.com/inward/record.url?scp=85085749383&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85085749383&partnerID=8YFLogxK
U2 - 10.1021/acs.inorgchem.0c00701
DO - 10.1021/acs.inorgchem.0c00701
M3 - Article
C2 - 32458681
AN - SCOPUS:85085749383
VL - 59
SP - 8298
EP - 8307
JO - Inorganic Chemistry
JF - Inorganic Chemistry
SN - 0020-1669
IS - 12
ER -