Influence of original and simulated microscopic units on SHG response in semiorganic NLO materials
文献类型：期刊论文
| 作者 | Hou, DW (Hou, Dianwei); Lei, BH (Lei, Bing-Hua); Pan, SL (Pan, Shilie) ; Zhang, BB (Zhang, Bingbing); Yang, ZH (Yang, Zhihua)
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| 刊名 | RSC ADVANCES
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| 出版日期 | 2016 |
| 卷号 | 6期号:46页码:39534-39540 |
| 通讯作者 | Yang, ZH |
| 英文摘要 | Exploring chromophores which determine band gap sizes and nonlinear optical (NLO) activity is of importance for material design. In this study, the electronic structures and optical properties of a class of the semiorganic NLO materials ASr[C4H2O6B(OH)(2)]center dot 4H(2)O (A = K and Rb) and simulated virtual compounds ASr[C4O6B(OH)(2)]center dot 4H(2)O (A = K and Rb) with C=C bonding after removing H atoms have been investigated to clarify the role of microscopic units. It was found that introducing pi-conjugated microscopic units could increase the SHG effect but decrease the band gap. Whether the band gap red shift or the electronic transfer induced by pi-conjugated microscopic units should be responsible for the change of the SHG effect is explored by combining the electronic structure, SHG density and molecular orbital analysis. |
| 收录类别 | SCI |
| WOS记录号 | WOS:000374974300002 |
| 源URL | [http://ir.xjipc.cas.cn/handle/365002/4857]  |
| 专题 | 新疆理化技术研究所_中国科学院特殊环境功能材料与器件重点试验室 新疆理化技术研究所_材料物理与化学研究室 |
| 作者单位 | 1.Xinjiang Tech Inst Phys & Chem CAS, Key Lab Funct Mat & Devices Special Environm CAS, Xinjiang Key Lab Elect Informat Mat & Devices, 40-1 South Beijing Rd, Urumqi 830011, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Hou, DW ,Lei, BH ,Pan, SL ,et al. Influence of original and simulated microscopic units on SHG response in semiorganic NLO materials[J]. RSC ADVANCES,2016,6(46):39534-39540. |
| APA | Hou, DW ,Lei, BH ,Pan, SL ,Zhang, BB ,&Yang, ZH .(2016).Influence of original and simulated microscopic units on SHG response in semiorganic NLO materials.RSC ADVANCES,6(46),39534-39540. |
| MLA | Hou, DW ,et al."Influence of original and simulated microscopic units on SHG response in semiorganic NLO materials".RSC ADVANCES 6.46(2016):39534-39540. |
入库方式： OAI收割
来源：新疆理化技术研究所
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