Experimental and ab initio studies of two UV nonlinear optical materials
Lu, JJ (Lu, Juanjuan); Shi, GQ (Shi, Guoqiang); Wu, HP (Wu, Hongping); Wen, M (Wen, Ming); Hou, DW (Hou, Dianwei); Yang, ZH (Yang, Zhihua); Zhang, FF (Zhang, Fangfang); Pan, SL (Pan, Shilie)
2017
发表期刊RSC ADVANCES
ISSN2046-2069
卷号7期号:33页码:20259-20265
摘要

Two new acentric polyborates, Ba-3(OH)(B9O16)[B(OH)(3)] and Ba2.16Pb0.84(OH)(B9O16)[B(OH) 3] have been synthesized hydrothermally and their structures have been determined by single-crystal X-ray diffraction. Both crystals are isostructural and crystallize in the trigonal space group P31c (no. 159). Their structures feature a three-dimensional (3D) B9O19 framework with 6-membered-ring tunnels, in which the Ba or Pb/Ba cations and [B(OH)(3)] groups reside. Powder second-harmonic-generation (SHG) measurements reveal that Ba-3(OH)(B9O16)[B(OH)(3)] and Ba2.16Pb0.84(OH)(B9O16)[B(OH)(3)] are type-I phase-matchable, with SHG responses of 1.1x and 1.2x KH2PO4, respectively. UV-Vis-NIR diffuse reflectance analysis indicates that Ba-3(OH)(B9O16)[B(OH)(3)] and Pb0.29Ba2.71(OH)(B9O16)[B(OH)(3)] have band gaps of 5.11 and 4.65 eV, respectively. In addition, first-principles calculations were employed to elucidate the origin of the NLO properties and the relationship of structure-properties.

DOI10.1039/c7ra02027a
收录类别SCI
WOS记录号WOS:000399244200025
引用统计
被引频次:2[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.xjipc.cas.cn/handle/365002/4800
专题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
通讯作者Zhang, FF (Zhang, Fangfang); Pan, SL (Pan, Shilie)
作者单位1.Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Xinjiang Key Lab Elect Informat Mat & Devices, Key Lab Funct Mat & Devices Special Environm CAS, 40-1 South Beijing Rd, Urumqi 830011, Peoples R China
2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
3.Harbin Inst Technol, Sch Chem & Chem Engn, Harbin 150001, Heilongjiang, Peoples R China
推荐引用方式
GB/T 7714
Lu, JJ ,Shi, GQ ,Wu, HP ,et al. Experimental and ab initio studies of two UV nonlinear optical materials[J]. RSC ADVANCES,2017,7(33):20259-20265.
APA Lu, JJ .,Shi, GQ .,Wu, HP .,Wen, M .,Hou, DW .,...&Pan, SL .(2017).Experimental and ab initio studies of two UV nonlinear optical materials.RSC ADVANCES,7(33),20259-20265.
MLA Lu, JJ ,et al."Experimental and ab initio studies of two UV nonlinear optical materials".RSC ADVANCES 7.33(2017):20259-20265.
条目包含的文件
文件名称/大小 文献类型 版本类型 开放类型 使用许可
Experimental and ab (901KB)期刊论文作者接受稿开放获取CC BY-NC-SA浏览 请求全文
个性服务
推荐该条目
保存到收藏夹
查看访问统计
导出为Endnote文件
谷歌学术
谷歌学术中相似的文章
[Lu, JJ (Lu, Juanjuan)]的文章
[Shi, GQ (Shi, Guoqiang)]的文章
[Wu, HP (Wu, Hongping)]的文章
百度学术
百度学术中相似的文章
[Lu, JJ (Lu, Juanjuan)]的文章
[Shi, GQ (Shi, Guoqiang)]的文章
[Wu, HP (Wu, Hongping)]的文章
必应学术
必应学术中相似的文章
[Lu, JJ (Lu, Juanjuan)]的文章
[Shi, GQ (Shi, Guoqiang)]的文章
[Wu, HP (Wu, Hongping)]的文章
相关权益政策
暂无数据
收藏/分享
文件名: Experimental and ab initio studies of two UV nonlinear optical materials.pdf
格式: Adobe PDF
所有评论 (0)
暂无评论
 

除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。