LiCs2La(BO3)(2) and Li3K9La3(BO3)(7): new mixed alkali metal lanthanum borates with three-dimensional open frameworks and short cut-off edges
Ma, RR (Ma, Ruru); Yang, Y (Yang, Yun); Hu, C (Hu, Cong); Dong, XY (Dong, Xiaoyu); Yang, ZH (Yang, Zhihua); Pan, SL (Pan, Shilie)
2018
Source PublicationDALTON TRANSACTIONS
ISSN1477-9226
Volume47Issue:10Pages:3512-3520
Abstract

Two new mixed alkali metal lanthanum borates, LiCs2La(BO3)(2) and Li3K9La3(BO3)(7), were synthesized through a high-temperature solution method and millimeter-sized colorless crystals were obtained. The structures of LiCs2La(BO3)(2) and Li3K9La3(BO3)(7) have an intricate three-dimensional (3D) open framework with one-dimensional (1D) infinite channels surrounded by cation polyhedra and isolated BO3 units. In particular, LiCs2La(BO3)(2) exhibits a short cut-off edge <190 nm and a large experimental band gap of 6.20 eV, evidenced by diffuse reflection spectroscopy. Moreover, to better understand the relationship between the electronic structures and optical properties of LiCs2La(BO3)(2), theoretical calculations using density functional theory were performed. The result indicated that LiCs2La(BO3)(2) has a calculated birefringence of 0.036@1064 nm and the direct band gap is 4.54 eV. In addition, the effects of ion substitution on structural transition and the metal ion/boron ratio on dimensions of the B-O frameworks are also discussed in detail.

DOI10.1039/c7dt04830k
Indexed BySCI
WOS IDWOS:000428841900035
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Document Type期刊论文
Identifierhttp://ir.xjipc.cas.cn/handle/365002/5273
Collection中国科学院特殊环境功能材料与器件重点试验室
材料物理与化学研究室
Affiliation1.Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Key Lab Funct Mat & Devices Special Environm, 40-1 South Beijing Rd, Urumqi 830011, Peoples R China
2.Xinjiang Key Lab Elect Informat Mat & Devices, 40-1 South Beijing Rd, Urumqi 830011, Peoples R China
3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
Recommended Citation
GB/T 7714
Ma, RR ,Yang, Y ,Hu, C ,et al. LiCs2La(BO3)(2) and Li3K9La3(BO3)(7): new mixed alkali metal lanthanum borates with three-dimensional open frameworks and short cut-off edges[J]. DALTON TRANSACTIONS,2018,47(10):3512-3520.
APA Ma, RR ,Yang, Y ,Hu, C ,Dong, XY ,Yang, ZH ,&Pan, SL .(2018).LiCs2La(BO3)(2) and Li3K9La3(BO3)(7): new mixed alkali metal lanthanum borates with three-dimensional open frameworks and short cut-off edges.DALTON TRANSACTIONS,47(10),3512-3520.
MLA Ma, RR ,et al."LiCs2La(BO3)(2) and Li3K9La3(BO3)(7): new mixed alkali metal lanthanum borates with three-dimensional open frameworks and short cut-off edges".DALTON TRANSACTIONS 47.10(2018):3512-3520.
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