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Method Article
Keli Han
Han's Lab, Dalian Institute of Chemical Physics, Dalian, China
Corresponding Author
License:
This work is licensed under a CC BY-NC 3.0 License. Read Full License
As one of the most important physical properties of the organic material, the anisotropic charge-carrier mobility directly determines device performance to a large extent. In this protocol, we mainly describe efforts in our group over the last few years to establish the quantitative relationship between angular resolution anisotropic mobilities and organic crystal packing architecture parameters (r, θ, and γ). Based on first-principles quantum mechanics (QM) calculations and Marcus-Hush theory in an effective one-dimensional diffusion equations model, the first analytical expressions of organic semiconductor crystal anisotropic mobility is proposed and applied in some typical p-/n-type organic semiconductor materials. The surprisingly agreements between our intuitive model and the available experiments indicate that the proposed anisotropic mobility analytical expressions in terms of fundamental molecular and packing properties can be applied in aiding synthetic design of organic semiconductor materials.
Keywords
Organic Semiconductors; anisotropic charge-carrier mobility; analytical expressions; p-/n-type
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Materials science
Associated Publications
Ultra-low resistance at TTF–TCNQ organic interfaces
by Shuhao Wen, Wei-Qiao Deng, and Ke-Li Han
Chemical Communications (21 August, 2013)
First-Principles Investigation of Anistropic Hole Mobilities in Organic Semiconductors
by Shu-Hao Wen, An Li, Junling Song, +3
Revealing quantitative structure–activity relationships of transport properties in acene and acene derivative organic materials
by Shu-Hao Wen, Wei-Qiao Deng, and Ke-Li Han
Simulation of Hole Mobility in α-Oligofuran Crystals
by Jin-Dou Huang, Shu-Hao Wen, Wei-Qiao Deng, +1
An open repository of community-contributed protocols sponsored by Nature Research.
Learn more about Protocol Exchange
Method Article
Keli Han
Han's Lab, Dalian Institute of Chemical Physics, Dalian, China
Corresponding Author
Version History
CURRENT STATUS: Posted
Version 1
Posted 22 Aug, 2013
Community comments: 50
Metrics
Comments: 0
HTML Views: ...
Subject Areas
Materials science
License:
This work is licensed under a CC BY-NC 3.0 License. Read Full License
As one of the most important physical properties of the organic material, the anisotropic charge-carrier mobility directly determines device performance to a large extent. In this protocol, we mainly describe efforts in our group over the last few years to establish the quantitative relationship between angular resolution anisotropic mobilities and organic crystal packing architecture parameters (r, θ, and γ). Based on first-principles quantum mechanics (QM) calculations and Marcus-Hush theory in an effective one-dimensional diffusion equations model, the first analytical expressions of organic semiconductor crystal anisotropic mobility is proposed and applied in some typical p-/n-type organic semiconductor materials. The surprisingly agreements between our intuitive model and the available experiments indicate that the proposed anisotropic mobility analytical expressions in terms of fundamental molecular and packing properties can be applied in aiding synthetic design of organic semiconductor materials.
Figure 1
No
Loading...
Associated Publications
Ultra-low resistance at TTF–TCNQ organic interfaces
by Shuhao Wen, Wei-Qiao Deng, and Ke-Li Han
Chemical Communications (21 August, 2013)
First-Principles Investigation of Anistropic Hole Mobilities in Organic Semiconductors
by Shu-Hao Wen, An Li, Junling Song, +3
Revealing quantitative structure–activity relationships of transport properties in acene and acene derivative organic materials
by Shu-Hao Wen, Wei-Qiao Deng, and Ke-Li Han
Simulation of Hole Mobility in α-Oligofuran Crystals
by Jin-Dou Huang, Shu-Hao Wen, Wei-Qiao Deng, +1