UB Paderborn / Katalog / Suche / in CDI

Controlling Defect-State Photophysics in Covalently Functionalized Single-Walled Carbon Nanotubes

Accounts of chemical research, 2020-09, Vol.53 (9), p.1791-1801

2020

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Exciton Localization and Optical Emission in Aryl-Functionalized Carbon Nanotubes

Journal of physical chemistry. C, 2018-01, Vol.122 (3), p.1828-1838

2018

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Tip Functionalization of Finite Single-Walled Carbon Nanotubes and Its Impact on the Ground and Excited State Electronic Structure

Journal of physical chemistry. C, 2017-04, Vol.121 (15), p.8601-8612

2017

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Optical Effects of Divalent Functionalization of Carbon Nanotubes

Chemistry of materials, 2019-09, Vol.31 (17), p.6950-6961

2019

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Low-Temperature Single Carbon Nanotube Spectroscopy of sp3 Quantum Defects

ACS nano, 2017-11, Vol.11 (11), p.10785-10796

2017

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Photochemical spin-state control of binding configuration for tailoring organic color center emission in carbon nanotubes

Nature communications, 2022-08, Vol.13 (1), p.4439-4439, Article 4439

2022

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Mod(n-m,3) Dependence of Defect-State Emission Bands in Aryl-Functionalized Carbon Nanotubes

Nano letters, 2019-12, Vol.19 (12), p.8503-8509

2019

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Hidden Fine Structure of Quantum Defects Revealed by Single Carbon Nanotube Magneto-Photoluminescence

ACS nano, 2020-03, Vol.14 (3), p.3451-3460

2020

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Correction Scheme for Comparison of Computed and Experimental Optical Transition Energies in Functionalized Single-Walled Carbon Nanotubes

The journal of physical chemistry letters, 2018-05, Vol.9 (10), p.2460-2468

2018

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Interplay between Electrostatic Properties of Molecular Adducts and Their Positions at Carbon Nanotubes

Journal of physical chemistry. C, 2021-03, Vol.125 (8), p.4785-4793

2021

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On-the-Fly Nonadiabatic Dynamics Simulations of Single-Walled Carbon Nanotubes with Covalent Defects

ACS nano, 2023-04, Vol.17 (7), p.6208-6219

2023

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Interplay between Conjugated Backbone Units and Side Alkyl Groups in Chirality Sensitive Interactions of Single Walled Carbon Nanotubes with Polyfluorenes

Journal of physical chemistry. C, 2019-10, Vol.123 (40), p.24807-24817

2019

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Impact of Graphene Quantum Dot Edge Morphologies on Their Optical Properties

The journal of physical chemistry letters, 2022-06, Vol.13 (25), p.5801-5807

2022

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Coupling between Emissive Defects on Carbon Nanotubes: Modeling Insights

The journal of physical chemistry letters, 2021-08, Vol.12 (32), p.7846-7853

2021

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Predicting phosphorescence energies and inferring wavefunction localization with machine learning

Chemical science (Cambridge), 2021-08, Vol.12 (3), p.127-1217

2021

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Intrinsic limits of defect-state photoluminescence dynamics in functionalized carbon nanotubes

Nanoscale, 2019-05, Vol.11 (18), p.9125-9132

2019

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Photoluminescence Dynamics Defined by Exciton Trapping Potential of Coupled Defect States in DNA-Functionalized Carbon Nanotubes

ACS nano, 2021-01, Vol.15 (1), p.923-933

2021

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Solvent- and Wavelength-Dependent Photoluminescence Relaxation Dynamics of Carbon Nanotube sp3 Defect States

ACS nano, 2018-08, Vol.12 (8), p.8060-8070

2018

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Photoexcited Nonadiabatic Dynamics of Solvated Push–Pull π‑Conjugated Oligomers with the NEXMD Software

Journal of chemical theory and computation, 2018-08, Vol.14 (8), p.3955-3966

2018

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NEXMD Modeling of Photoisomerization Dynamics of 4‑Styrylquinoline

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-12, Vol.122 (49), p.9403-9411

2018

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Molecular dynamics of reactions between (4,0) zigzag carbon nanotube and hydrogen peroxide under extreme conditions

Molecular physics, 2018-03, Vol.116 (5-6), p.708-716

2018

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Solvent- and Wavelength-Dependent Photoluminescence Relaxation Dynamics of Carbon Nanotube sp 3 Defect States

ACS nano, 2018-08, Vol.12 (8), p.8060-8070

2018

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Low-Temperature Single Carbon Nanotube Spectroscopy of sp 3 Quantum Defects

ACS nano, 2017-11, Vol.11 (11), p.10785-10796

2017

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Kinetic isotope effects for dissociative recombination of tritiated ketenyl ion (3HCCO+): A surface-hopping ab initio molecular dynamics study

Computational and theoretical chemistry, 2022-04, Vol.1210, p.113634, Article 113634

2022

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Photochemical spin-state control of binding configuration for tailoring organic color center emission in carbon nanotubes

Nature communications, 2022-08, Vol.13 (1)

2022

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Controlling Defect-State Photophysics in Covalently Functionalized Single-Walled Carbon Nanotubes

Exciton Localization and Optical Emission in Aryl-Functionalized Carbon Nanotubes

Tip Functionalization of Finite Single-Walled Carbon Nanotubes and Its Impact on the Ground and Excited State Electronic Structure

Optical Effects of Divalent Functionalization of Carbon Nanotubes

Low-Temperature Single Carbon Nanotube Spectroscopy of sp3 Quantum Defects

Photochemical spin-state control of binding configuration for tailoring organic color center emission in carbon nanotubes

Mod(n-m,3) Dependence of Defect-State Emission Bands in Aryl-Functionalized Carbon Nanotubes

Hidden Fine Structure of Quantum Defects Revealed by Single Carbon Nanotube Magneto-Photoluminescence

Correction Scheme for Comparison of Computed and Experimental Optical Transition Energies in Functionalized Single-Walled Carbon Nanotubes

Interplay between Electrostatic Properties of Molecular Adducts and Their Positions at Carbon Nanotubes

On-the-Fly Nonadiabatic Dynamics Simulations of Single-Walled Carbon Nanotubes with Covalent Defects

Interplay between Conjugated Backbone Units and Side Alkyl Groups in Chirality Sensitive Interactions of Single Walled Carbon Nanotubes with Polyfluorenes

Impact of Graphene Quantum Dot Edge Morphologies on Their Optical Properties

Coupling between Emissive Defects on Carbon Nanotubes: Modeling Insights

Predicting phosphorescence energies and inferring wavefunction localization with machine learning

Intrinsic limits of defect-state photoluminescence dynamics in functionalized carbon nanotubes

Photoluminescence Dynamics Defined by Exciton Trapping Potential of Coupled Defect States in DNA-Functionalized Carbon Nanotubes

Solvent- and Wavelength-Dependent Photoluminescence Relaxation Dynamics of Carbon Nanotube sp3 Defect States

Photoexcited Nonadiabatic Dynamics of Solvated Push–Pull π‑Conjugated Oligomers with the NEXMD Software

NEXMD Modeling of Photoisomerization Dynamics of 4‑Styrylquinoline

Molecular dynamics of reactions between (4,0) zigzag carbon nanotube and hydrogen peroxide under extreme conditions

Solvent- and Wavelength-Dependent Photoluminescence Relaxation Dynamics of Carbon Nanotube sp 3 Defect States

Low-Temperature Single Carbon Nanotube Spectroscopy of sp 3 Quantum Defects

Kinetic isotope effects for dissociative recombination of tritiated ketenyl ion (3HCCO+): A surface-hopping ab initio molecular dynamics study

Photochemical spin-state control of binding configuration for tailoring organic color center emission in carbon nanotubes

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