Tuning the edge states in X-type carbon based molecules for applications in nonlinear optics

Author(s):  
Cui-Cui Yang ◽  
Xue-Lian Zheng ◽  
Wei Quan Tian ◽  
Wei-Qi Li ◽  
Ling Yang

Introduction of carbonyl group stabilizes the zigzag edges while keeping good 2nd NLO properties of X-type graphene nanoribbons and further addition of functional groups (NH2/NO2) significantly enhances the NLO properties of those nanomaterials.

2020 ◽  
Vol 8 (5) ◽  
pp. 1879-1886
Author(s):  
Cui-Cui Yang ◽  
Yuan-Yuan He ◽  
Xue-Lian Zheng ◽  
Jiu Chen ◽  
Ling Yang ◽  
...  

Introduction of polar azulenes and further functionalization significantly enhance the NLO properties of carbon based materials.


RSC Advances ◽  
2016 ◽  
Vol 6 (28) ◽  
pp. 23974-23980 ◽  
Author(s):  
Min Wang ◽  
Si Xing Song ◽  
Hai Xing Zhao ◽  
Yu Chen Wang

The functional groups on armchair graphene nanoribbons affect the spatial distribution of the wavefunction and influence the electronic and optical properties as well.


Nature ◽  
2018 ◽  
Vol 557 (7707) ◽  
pp. 691-695 ◽  
Author(s):  
Michael Slota ◽  
Ashok Keerthi ◽  
William K. Myers ◽  
Evgeny Tretyakov ◽  
Martin Baumgarten ◽  
...  

1991 ◽  
Vol 45 (10) ◽  
pp. 1641-1648 ◽  
Author(s):  
Richard A. Nyquist ◽  
Sam E. Settineri ◽  
Davin A. Luoma

The carbonyl stretching mode of 4- x-benzaldehydes increases in frequency as the mole % CHCl3/CCl4 decreases and as the value of σP− or σRO for the 4- x atom or group increases. Other functional groups such as OH, NO2 and CN are also affected by interaction with the CHCl3 and/or CCl4 solvent system. Other solvents may interact differently with each functional group so that, say, vC=O vs. σP−, σRO, or solvent acceptor numbers (AN) may not correlate in a uniform manner in all solute/solvent systems.


2018 ◽  
Vol 24 (17) ◽  
pp. 4250-4254 ◽  
Author(s):  
Min Wang ◽  
Ruifen Sun ◽  
Qian Wang ◽  
Lichan Chen ◽  
Linxi Hou ◽  
...  

2019 ◽  
Vol 43 (32) ◽  
pp. 12570-12579 ◽  
Author(s):  
Salahuddin S. Attar ◽  
Luciano Marchiò ◽  
Luca Pilia ◽  
Maria F. Casula ◽  
Davide Espa ◽  
...  

This study, concerning the influence on the NLO properties of a remote functionality in the donor of D–Ni–A dithiolenes 1–4, allows to point out the relationship between NLO properties and the donor capability in modulating the low-energy absorption.


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