The influence of hydrogen bonding on the nonlinear optical properties of a semiorganic material NH4B[D-(+)-C4H4O5](2)center dot H2O: a theoretical perspective
文献类型：期刊论文
| 作者 | Lei, Chen; Yang, Zhihua ; Zhang, Bingbing; Lee, Ming-Hsein; Jing, Qun; Chen, Zhaohui; Huang, Xu-Chu; Wang, Ying; Pan, Shilie; Janjua, Muhammad Ramzan Saeed Ashraf
|
| 刊名 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS
 |
| 出版日期 | 2014 |
| 卷号 | 16期号:37页码:20089-20096 |
| ISSN号 | 1463-9076 |
| 通讯作者 | Yang, ZH |
| 英文摘要 | In this work, a potential semiorganic nonlinear optical candidate NH4B[D-(+)-(C4H4O5)](2)center dot H2O (NBC) has been studied using Density Functional Theory. The origin of the second harmonic generation (SHG) effect of NBC crystals for the NH4B[D-(+)-(C4H4O5)](2)center dot H2O molecular complex is explained by employing a combination of the density of states, SHG density and molecular orbital analysis. It reveals a way in which the organic and ammonium groups affect the SHG processes in a significantly different manner in the crystals and the molecular complex. In particular, the role of hydrogen bonding interaction in influencing the electronic structure and nonlinear optical properties is explicitly identified and explained. |
| 收录类别 | SCI |
| WOS记录号 | WOS:000341359700036 |
| 公开日期 | 2014-11-11 |
| 源URL | [http://ir.xjipc.cas.cn/handle/365002/3814]  |
| 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 | Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Key Lab Funct Mat & Devices Special Environm, Xinjiang Key Lab Elect Informat Mat & Devices, Urumqi 830011, Peoples R China;Univ Chinese Acad Sci, Beijing 100049, Peoples R China;Tamkang Univ, Dept Phys, Taipei 25137, Taiwan;Univ Sargodha, Dept Chem, Sargodha 40100, Pakistan |
| 推荐引用方式 GB/T 7714 | Lei, Chen,Yang, Zhihua,Zhang, Bingbing,et al. The influence of hydrogen bonding on the nonlinear optical properties of a semiorganic material NH4B[D-(+)-C4H4O5](2)center dot H2O: a theoretical perspective[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2014,16(37):20089-20096. |
| APA | Lei, Chen.,Yang, Zhihua.,Zhang, Bingbing.,Lee, Ming-Hsein.,Jing, Qun.,...&Janjua, Muhammad Ramzan Saeed Ashraf.(2014).The influence of hydrogen bonding on the nonlinear optical properties of a semiorganic material NH4B[D-(+)-C4H4O5](2)center dot H2O: a theoretical perspective.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,16(37),20089-20096. |
| MLA | Lei, Chen,et al."The influence of hydrogen bonding on the nonlinear optical properties of a semiorganic material NH4B[D-(+)-C4H4O5](2)center dot H2O: a theoretical perspective".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 16.37(2014):20089-20096. |
入库方式： OAI收割
来源：新疆理化技术研究所
浏览0
下载0
收藏0
其他版本
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。