Influence of Encapsulated Water on Luminescence Energy, Line Width, and Lifetime of Carbon Nanotubes: Time Domain Ab Initio Analysis

Wei Li; Run Long; Zhufeng Hou; Jianfeng Tang; Oleg V. Prezhdo

doi:10.1021/acs.jpclett.8b02049

Influence of Encapsulated Water on Luminescence Energy, Line Width, and Lifetime of Carbon Nanotubes: Time Domain Ab Initio Analysis

The Journal of Physical Chemistry Letters ◽

10.1021/acs.jpclett.8b02049 ◽

2018 ◽

Vol 9 (14) ◽

pp. 4006-4013 ◽

Cited By ~ 12

Author(s):

Wei Li ◽

Run Long ◽

Zhufeng Hou ◽

Jianfeng Tang ◽

Oleg V. Prezhdo

Keyword(s):

Carbon Nanotubes ◽

Ab Initio ◽

Line Width ◽

Time Domain ◽

Energy Line

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Ab Initio Time-Domain Study of the Triplet State in a Semiconducting Carbon Nanotube: Intersystem Crossing, Phosphorescence Time, and Line Width

Journal of the American Chemical Society ◽

10.1021/ja305685v ◽

2012 ◽

Vol 134 (38) ◽

pp. 15648-15651 ◽

Cited By ~ 45

Author(s):

Bradley F. Habenicht ◽

Oleg V. Prezhdo

Keyword(s):

Carbon Nanotube ◽

Triplet State ◽

Ab Initio ◽

Line Width ◽

Time Domain ◽

Intersystem Crossing

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Time-Domain Ab Initio Simulation of Energy Transfer in Double-Walled Carbon Nanotubes

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.5b03629 ◽

2015 ◽

Vol 119 (21) ◽

pp. 12088-12094 ◽

Cited By ~ 9

Author(s):

Olena Postupna ◽

Run Long ◽

Oleg V. Prezhdo

Keyword(s):

Carbon Nanotubes ◽

Energy Transfer ◽

Ab Initio ◽

Time Domain ◽

Ab Initio Simulation ◽

Double Walled Carbon Nanotubes ◽

Walled Carbon Nanotubes

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Time-Domain Ab Initio Studies of Excitation Dynamics in Carbon Nanotubes

ECS Meeting Abstracts ◽

10.1149/ma2008-02/44/2691 ◽

2008 ◽

Keyword(s):

Carbon Nanotubes ◽

Ab Initio ◽

Time Domain ◽

Excitation Dynamics

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Vibronic Interactions in Semiconducting and Metallic Quantum Dots, Carbon Nanotubes, and Graphene Nanoribbons: Time-Domain Ab Initio Studies

10.1063/1.3482453 ◽

2010 ◽

Author(s):

Oleg V. Prezhdo ◽

P. M. Champion ◽

L. D. Ziegler

Keyword(s):

Carbon Nanotubes ◽

Quantum Dots ◽

Ab Initio ◽

Time Domain ◽

Graphene Nanoribbons ◽

Vibronic Interactions

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Rapid Charge Separation Boosts Solar Hydrogen Generation at the Graphene–MoS2 Junction: Time-Domain Ab Initio Analysis

The Journal of Physical Chemistry Letters ◽

10.1021/acs.jpclett.1c00322 ◽

2021 ◽

Vol 12 (11) ◽

pp. 2763-2769

Author(s):

Xiaoli Wang ◽

Run Long

Keyword(s):

Ab Initio ◽

Time Domain ◽

Charge Separation ◽

Hydrogen Generation ◽

Solar Hydrogen

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Ab Initio Modeling of the Mechanical Properties of Carbon Nanotubes Using Gaussian

52nd AIAA/ASME/ASCE/AHS/ASC Structures, Structural Dynamics and Materials Conference ◽

10.2514/6.2011-1919 ◽

2011 ◽

Cited By ~ 1

Author(s):

Joe Hoffman

Keyword(s):

Mechanical Properties ◽

Carbon Nanotubes ◽

Ab Initio ◽

Ab Initio Modeling

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Why Chemical Vapor Deposition Grown MoS2 Samples Outperform Physical Vapor Deposition Samples: Time-Domain ab Initio Analysis

Nano Letters ◽

10.1021/acs.nanolett.8b01501 ◽

2018 ◽

Vol 18 (6) ◽

pp. 4008-4014 ◽

Cited By ~ 39

Author(s):

Linqiu Li ◽

Run Long ◽

Oleg V. Prezhdo

Keyword(s):

Chemical Vapor Deposition ◽

Ab Initio ◽

Time Domain ◽

Vapor Deposition ◽

Physical Vapor Deposition ◽

Chemical Vapor

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Ab Initio Study of Topological Defects in Single Walled Carbon Nanotubes and their Effect on Gas Sensing Mechanism

10.1063/1.3587023 ◽

2011 ◽

Author(s):

Aarti Srirangarajan ◽

Mousumi Upadhyay Kahaly ◽

Abdul Manaf Hashim ◽

Vijay K. Arora

Keyword(s):

Carbon Nanotubes ◽

Ab Initio ◽

Gas Sensing ◽

Topological Defects ◽

Single Walled Carbon Nanotubes ◽

Ab Initio Study ◽

Single Walled Carbon ◽

Sensing Mechanism ◽

Walled Carbon Nanotubes

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Ab initio study of semiconducting carbon nanotubes adsorbed on the Si(100) surface: Diameter- and registration-dependent atomic configurations and electronic properties

Journal of Applied Physics ◽

10.1063/1.2400404 ◽

2006 ◽

Vol 100 (12) ◽

pp. 124304 ◽

Cited By ~ 19

Author(s):

Salvador Barraza-Lopez ◽

Peter M Albrecht ◽

Nichols A. Romero ◽

Karl Hess

Keyword(s):

Carbon Nanotubes ◽

Ab Initio ◽

Electronic Properties ◽

Ab Initio Study ◽

Surface Diameter

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Adsorption of isoniazid and pyrazinamide drug molecules onto nitrogen-doped single-wall carbon nanotubes: an ab initio study

Structural Chemistry ◽

10.1007/s11224-013-0327-9 ◽

2013 ◽

Vol 25 (2) ◽

pp. 593-605 ◽

Cited By ~ 11

Author(s):

Nabanita Saikia ◽

Ramesh C. Deka

Keyword(s):

Carbon Nanotubes ◽

Ab Initio ◽

Single Wall Carbon Nanotubes ◽

Ab Initio Study ◽

Single Wall Carbon ◽

Nitrogen Doped ◽

Drug Molecules

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