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RESEARCH PAPER · ACS Applied Nano Materials · 2019

Spiral Graphene Nanoribbons with Azulene Defects as Potential Nonlinear Optical Materials

Yuanyuan He, Jiu Chen, Xue-Lian Zheng, Xiaodong Xu, Weiqi Li, Ling Yang, Wei Quan Tian

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Spiral Graphene Nanoribbons with Azulene Defects as Potential Nonlinear Optical MaterialsOriginalCarbon based Y-type molecules for application in nonlinear optics12Two-dimensional two-photon absorptions and third-order nonlinear optical properties of I h fullerenes and fullerene onions23The Effect of Base and Nucleophile on the Nucleophilic Substitution of Methoxytropone Derivatives: An Easy Access to 4- and 5-Substituted Multifunctional Azulenes9Graphene, the Swiss Army Knife of Nanomaterials Science19Huge stretchability and reversibility of helical graphenes using molecular dynamics simulations and simplified theoretical models24New Spiral Form of Carbon Nitride with Ultrasoftness and Tunable Electronic Structures6Second-order nonlinear optical properties of two chalcone derivatives: insights from sum-over-states40Stability and electronic properties of bilayer graphene spirals8A new isostructural halogenated chalcone with optical properties7Construction of Heptagon‐Containing Molecular Nanocarbons236Construction of Heptagon‐Containing Molecular Nanocarbons48Tuning the edge states in X-type carbon based molecules for applications in nonlinear optics11Theoretical Studies on the Electronic Structure of Nano-graphenes for Applications in Nonlinear Optics7Modulation of the Second Order Nonlinear Optical Properties of Helical Graphene Nanoribbons Through Introducing Azulene Defects or/and BN Units4PCM-DFT Investigation on the Linear and Nonlinear Optical Properties of Two Triazole Derivatives in Different Solvents0Bis-TTF-Ge derivatives: promising linear and nonlinear optical properties, a theoretical investigation37A nonalternant azulene-embedded carbon nanohoop featuring anti-Kasha emission and tunable properties upon pH stimuli-responsiveness38Gas-phase preparation of azulene (C 10 H 8 ) and naphthalene (C 10 H 8 ) via the reaction of the resonantly stabilized fulvenallenyl (C 7 H 5 ˙) and propargyl (C 3 H 3 ˙) radicals20Magnetic Properties of Zig-Zag-Edged Hexagonal Nanohelicenes: A Quantum Chemical Study9Bending Effect on the Electronic Properties and Nonlinear Optical Responses of Linear Porphyrin Oligomer3Effect of the armchair and zigzag edge terminations on the properties of nanohelicenes: First-principles study9Electronic Structure Modulation of Nanographenes for Second Order Nonlinear Optical Molecular Materials3Current State of Computational Modeling of Nanohelicenes13Verbenone‐based push–pull chromophores with giant first hyperpolarizabilities: A new structure–property correlation study9Probing the REDOX effect of helical tetraspirobenzene on nonlinear optical properties2Simplified quantum chemistry methods to evaluate non‐linear optical properties of large systems16New push–pull ladder-type chromophores with large hyperpolarizability for nonlinear optical application8Fulvenallenyl Radical (C7H5·)-Mediated Gas-Phase Synthesis of Bicyclic Aromatic C10H8 Isomers: Can Fulvenallenyl Efficiently React with Closed-Shell Hydrocarbons?11Unraveling the structure–property relationship of novel thiophene and furan‐fused cyclopentadienyl chromophores for nonlinear optical applications10Ultralarge Hyperpolarizability, Novel Ladder‐Type Heteroarenes Electro‐Optic Chromophores: Influence of Fused Heterocyclic π‐System and Push–Pull Effect on Nonlinear Optical Properties3Insights into the structural features of crumpling graphene nanoribbons1Structure-NLO property relationships of Möbius helicene carbon nanohoop under an external electric field3Structure-property analysis of dithienopyrrole-based D-π-A-π-D compounds: Electronic and nonlinear optical responses with advanced python-based visualizations11Recent advances and future challenges in the bottom-up synthesis of azulene-embedded nanographenes16Investigation of electronic and nonlinear optical properties of two-unit BODIPY systems linked by π-bridges using advanced Python-based analysis tools3Molecular engineering of novel push-pull biphenylene bridge chromophores for achieving remarkable nonlinear optical properties and tuning aromaticity2Synthesis and Properties of 10‐Aryl‐11H‐indeno[2,1‐a]azulenes and Azuleno[2,1‐a]indenones0π‐Conjugation Engineering in New Ladder‐Type Pyrazinoquinoxaline‐Based Chromophores: A Route to High‐Performance NLO Materials With Ultradeep HOMO Levels1Precision graphene nanoribbons: chemical strategies for tailored edge, backbone, and electronic structure0Structural, linear, and nonlinear optical properties of ortho -carboranyl luminophores: insights from DFT and TD-DFT studies2Effects of Naphthalene-to-Azulene Isoelectronic Structural Reconstruction on Electronic and Optical Properties of Perylenediimide and Its Chalcogenides0Resonance hybrid state in novel cyclopentadienyl furan-fused systems: a key determinant for nonlinear optical properties optimization0Exact SO(3) Averages and Directional Analysis of Molecular Hyperpolarizabilities: Closed Form β/γ Invariant Lab Channel Metrics with Certified Sampling1

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  2. Two-dimensional two-photon absorptions and third-order nonlinear optical properties of I h fullerenes and fullerene onions

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  3. The Effect of Base and Nucleophile on the Nucleophilic Substitution of Methoxytropone Derivatives: An Easy Access to 4- and 5-Substituted Multifunctional Azulenes

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  8. Stability and electronic properties of bilayer graphene spirals

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  14. Modulation of the Second Order Nonlinear Optical Properties of Helical Graphene Nanoribbons Through Introducing Azulene Defects or/and BN Units

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  15. PCM-DFT Investigation on the Linear and Nonlinear Optical Properties of Two Triazole Derivatives in Different Solvents

    Journal of Atomic Molecular Condensed Matter and Nano Physics · 2021-10-31

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  16. Bis-TTF-Ge derivatives: promising linear and nonlinear optical properties, a theoretical investigation

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  17. A nonalternant azulene-embedded carbon nanohoop featuring anti-Kasha emission and tunable properties upon pH stimuli-responsiveness

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  18. Gas-phase preparation of azulene (C 10 H 8 ) and naphthalene (C 10 H 8 ) via the reaction of the resonantly stabilized fulvenallenyl (C 7 H 5 ˙) and propargyl (C 3 H 3 ˙) radicals

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  19. Magnetic Properties of Zig-Zag-Edged Hexagonal Nanohelicenes: A Quantum Chemical Study

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  20. Bending Effect on the Electronic Properties and Nonlinear Optical Responses of Linear Porphyrin Oligomer

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