First Principle Study of Electronic and Non-Linear Optical (NLO) Properties of Triphenylamine Dyes: Interactive Design Computation of New NLO Compounds

CORC > 新疆理化技术研究所 > 中国科学院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

	First Principle Study of Electronic and Non-Linear Optical (NLO) Properties of Triphenylamine Dyes: Interactive Design Computation of New NLO Compounds
	Janjua, MRSA (Janjua, Muhammad Ramzan Saeed Ashraf); Yamani, ZH (Yamani, Zain Hassan); Jamil, S (Jamil, Saba); Mahmood, A (Mahmood, Asif); Ahmad, I (Ahmad, Imran); Haroon, M (Haroon, Muhammad); Tahir, MH (Tahir, Mudassir Hussain); Yang, ZH (Yang, Zhihua); Pan, SL (Pan, Shilie)
刊名	AUSTRALIAN JOURNAL OF CHEMISTRY
	2016
卷号	69 期号:4 页码:467-472
通讯作者	Janjua, MRSA
英文摘要	In this study, density functional theory and time-dependent density functional theory are used to determine how the size of p-conjugated system influences the absorption spectra and non-linear optical (NLO) properties of dyes. Double and triple bonds, as well the benzene rings, are used in conjugated systems. The results of the theoretical computation show that the absorption spectra are gradually broadened and red-shifted with increases in the conjugation length. Theoretical examination of the NLO properties was performed on the key parameters of polarizability and hyperpolarizability. Anotable increase in the non-linear optical response was observed with an increase in the conjugation length of thep-spacer.
收录类别	SCI
WOS记录号	WOS:000374182400016
内容类型	期刊论文
源URL	[http://ir.xjipc.cas.cn/handle/365002/4700]
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.Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Xinjiang Key Lab Elect Informat Mat & Devices, 40-1 South Beijing Rd, Urumqi 830011, Peoples R China 2.Univ Sargodha, Dept Chem, Sargodha 40100, Pakistan 3.King Fahd Univ Petr & Minerals, Dept Chem, Dhahran 31261, Saudi Arabia 4.King Fahd Univ Petr & Minerals, Ctr Excellence Nanotechnol, Dhahran 31261, Saudi Arabia 5.Univ Agr Faisalabad, Dept Chem, Environm & Mat Chem Lab, Faisalabad 38040, Pakistan
推荐引用方式 GB/T 7714	Janjua, MRSA ,Yamani, ZH ,Jamil, S ,et al. First Principle Study of Electronic and Non-Linear Optical (NLO) Properties of Triphenylamine Dyes: Interactive Design Computation of New NLO Compounds[J]. AUSTRALIAN JOURNAL OF CHEMISTRY,2016,69(4):467-472.
APA	Janjua, MRSA .,Yamani, ZH .,Jamil, S .,Mahmood, A .,Ahmad, I .,...&Pan, SL .(2016).First Principle Study of Electronic and Non-Linear Optical (NLO) Properties of Triphenylamine Dyes: Interactive Design Computation of New NLO Compounds.AUSTRALIAN JOURNAL OF CHEMISTRY,69(4),467-472.
MLA	Janjua, MRSA ,et al."First Principle Study of Electronic and Non-Linear Optical (NLO) Properties of Triphenylamine Dyes: Interactive Design Computation of New NLO Compounds".AUSTRALIAN JOURNAL OF CHEMISTRY 69.4(2016):467-472.