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Method Article
Anisotropic Mobilities in Organic Semiconductors
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
Figure 1
Boran Han
commented on 26 August, 2013
Hi, very impressive work on building the 1d diffusion equations model. What's the physical picture behind it? Does it mean that anisotropic mobilities are essentially biased stochastic process?
Wenliang Li
commented on 27 August, 2013
Excellent work.
Qian Xu
commented on 27 August, 2013
I like this paper, which is really helpful for our research.
Yi Ma
commented on 27 August, 2013
Quite interesting!
Wang Junhua
commented on 27 August, 2013
Good.
zhao han
commented on 27 August, 2013
It is really good paper. I like it.
Jian Ma
commented on 27 August, 2013
I find this topic quite interesting.
shuhao wen
commented on 27 August, 2013
Anisotropic charge-carrier mobility is an interesting and important topic of organic semiconductor materials. With the research and development of single crystal OFET, mobility anisotropy attracts more and more attention. Pioneering works of John A. Rogers in 2004, and the good research from Bao z' lab in Stanford are typical experimental research. Theoretical work needs to keep space with experiments, and many groups are doing research to build the model of anisotropic mobility for organic semiconductors materials. The advantages of our model are using a intuitional way to consider the effects from all different electronic couplings in the crystal structures on every conducting channel, and in this way to incorporate important transport parameters such as electronic coupling, reorganization energy, and the materials crystal geometry (not only the packing but also the lattice). The error cancellations still exist in current model. Any comments are appreciated about the model.
Jing Guan
commented on 27 August, 2013
The protocol promotes the development of high-performance organic semiconductor materials. DFT computations combined with experimental data shed new light on anisotropic charge transport characteristics.
Rui Yu
commented on 29 August, 2013
The research on anisotropic mobility in organic semiconductors would be very interesting.
Ruifeng Lu
commented on 29 August, 2013
In Han's series of works, the accurate quantum descriptions and predictions of anisotropic mobilities in organic semiconductors provides very helpful guidance for relevant experiments. Good jobs!
Xian-Fang Yue
commented on 31 August, 2013
This protocol provides me an exciting and useful result about the the anisotropic charge-carrier mobility. Especially, the anisotropic mobility analytical expressions are very helpful for me to carriy out the studies on synthetic design of organic semiconductor materials.
Tianshu Chu
commented on 31 August, 2013
I think this is a very useful protocol. The idea of establishing the relationship between anisotropic charge transfer mobility and the organic crystal material is very exciting and useful for studying and developing organic semiconductors. The successful application of the proposed method in various types of organic semiconductors should make the protocol attractive and valuable to a wide range of researchers (both experimentalists and theoreticians) in the relevant area. It is a seriously impressive piece of work.
Xiaohu Li
commented on 01 September, 2013
I read this paper with interest. Apparently, with an joint efforts of work for several years, an interesting and useful model that give the quantitative relationship between angular resolution anisotropic mobilities and organic crystal packing architecture parameters is now proposed and was proved to be able to achieve good agreements with experiments. true, it will be very helpful for "design" when we can use a simpler an more intuitive model to offer clear physical insight. I was wondering, this model was established by ignoring diffusion pathways interaction in the one-dimensional diffusion equations, is there any influence of this assumption to the capabilities of the model?
peng song
commented on 02 September, 2013
Recently, we have studied the electron transfer rate of the organic material based on Marcus theory. After I read your interesting paper entitled "Anisotropic Mobilities in Organic Semiconductors", some results about the anisotropic charge-carrier mobility inspire us for deeply understanding the physical properties of the organic material. The quantitative relationship between angular resolution anisotropic mobilities and organic crystal packing architecture parameters (r, θ, and γ) provides a useful method for predicting anisotropic mobilities in organic semiconducting materials. Especially, the theoretical investigations have an important enlightenment function to analyze the ultrafast dynamics in semiconductor and the charge transfer process across the interfaces.
Xiaohu Li
commented on 03 September, 2013
Thanks, it is a very good paper.
oliver yang
commented on 04 September, 2013
it's an outstanding work!
Mingjun Yang
commented on 04 September, 2013
The quantitative relationship between anisotropic charge transfer mobility and the organic crystal architecture parameters is attractive and useful in understanding and design of new semiconductor material. Additionally, the prediction can be made from the quantum chemistry calculations which is really amazing work.
Ying Shi
commented on 07 September, 2013
I think this is a excellent work
oliver yang
commented on 07 September, 2013
Yang Di said: I think it's an outstanding work!
Xianghua Zhang
commented on 09 September, 2013
This work provides an explicit strategy to theoretically explore anisotropic electron transfer mechanisms in organic semiconductor. This work will be beneficial for the development of vast fields based on organic semiconductors including organic electrochemistry, organic photovoltaic cell, etc.
yang hou
commented on 09 September, 2013
important work.
Keli Han
commented on 10 September, 2013
Reply to Boran Han: In fact, the charge hopping direction is stochastic, and in our model, Pi = Wi/ΣiWi represents the hopping probability of the ith hopping pathway. However, the charge hopping rate between adjacent organic molecules is quite different, which is mainly related to the difference between the intermolecular electronic couplings. Our simulation model reflects the relationship between the anisotropic mobilities and organic crystal packing architecture parameters as well as the intermolecular electronic couplings depended on crystal packing architecture.Rely to Xiaohu Li: true, there is no interaction between diffusion pathways, and our assumption has little influence to the capabilities of the model.
Guochun Yang
commented on 07 October, 2013
A fundamental understanding of relationship between intermolecular interactions and transport properties in organic semiconducting materials for potential applications as electronic device element is significant. In this work, Han et al established the quantitative relationship between angular resolution anisotropic mobilities and organic crystal packing architecture parameters (r, θ, and γ), which will be very useful for understanding and reorganization of anisotropic mobility in organic semiconducting materials.
Deepak Sharma
commented on 27 June, 2018
Nice article..
Boran Han
commented on 26 August, 2013
Hi, very impressive work on building the 1d diffusion equations model. What's the physical picture behind it? Does it mean that anisotropic mobilities are essentially biased stochastic process?
Wenliang Li
commented on 27 August, 2013
Excellent work.
Qian Xu
commented on 27 August, 2013
I like this paper, which is really helpful for our research.
Yi Ma
commented on 27 August, 2013
Quite interesting!
Wang Junhua
commented on 27 August, 2013
Good.
zhao han
commented on 27 August, 2013
It is really good paper. I like it.
Jian Ma
commented on 27 August, 2013
I find this topic quite interesting.
shuhao wen
commented on 27 August, 2013
Anisotropic charge-carrier mobility is an interesting and important topic of organic semiconductor materials. With the research and development of single crystal OFET, mobility anisotropy attracts more and more attention. Pioneering works of John A. Rogers in 2004, and the good research from Bao z' lab in Stanford are typical experimental research. Theoretical work needs to keep space with experiments, and many groups are doing research to build the model of anisotropic mobility for organic semiconductors materials. The advantages of our model are using a intuitional way to consider the effects from all different electronic couplings in the crystal structures on every conducting channel, and in this way to incorporate important transport parameters such as electronic coupling, reorganization energy, and the materials crystal geometry (not only the packing but also the lattice). The error cancellations still exist in current model. Any comments are appreciated about the model.
Jing Guan
commented on 27 August, 2013
The protocol promotes the development of high-performance organic semiconductor materials. DFT computations combined with experimental data shed new light on anisotropic charge transport characteristics.
Rui Yu
commented on 29 August, 2013
The research on anisotropic mobility in organic semiconductors would be very interesting.
Ruifeng Lu
commented on 29 August, 2013
In Han's series of works, the accurate quantum descriptions and predictions of anisotropic mobilities in organic semiconductors provides very helpful guidance for relevant experiments. Good jobs!
Xian-Fang Yue
commented on 31 August, 2013
This protocol provides me an exciting and useful result about the the anisotropic charge-carrier mobility. Especially, the anisotropic mobility analytical expressions are very helpful for me to carriy out the studies on synthetic design of organic semiconductor materials.
Tianshu Chu
commented on 31 August, 2013
I think this is a very useful protocol. The idea of establishing the relationship between anisotropic charge transfer mobility and the organic crystal material is very exciting and useful for studying and developing organic semiconductors. The successful application of the proposed method in various types of organic semiconductors should make the protocol attractive and valuable to a wide range of researchers (both experimentalists and theoreticians) in the relevant area. It is a seriously impressive piece of work.
Xiaohu Li
commented on 01 September, 2013
I read this paper with interest. Apparently, with an joint efforts of work for several years, an interesting and useful model that give the quantitative relationship between angular resolution anisotropic mobilities and organic crystal packing architecture parameters is now proposed and was proved to be able to achieve good agreements with experiments. true, it will be very helpful for "design" when we can use a simpler an more intuitive model to offer clear physical insight. I was wondering, this model was established by ignoring diffusion pathways interaction in the one-dimensional diffusion equations, is there any influence of this assumption to the capabilities of the model?
peng song
commented on 02 September, 2013
Recently, we have studied the electron transfer rate of the organic material based on Marcus theory. After I read your interesting paper entitled "Anisotropic Mobilities in Organic Semiconductors", some results about the anisotropic charge-carrier mobility inspire us for deeply understanding the physical properties of the organic material. The quantitative relationship between angular resolution anisotropic mobilities and organic crystal packing architecture parameters (r, θ, and γ) provides a useful method for predicting anisotropic mobilities in organic semiconducting materials. Especially, the theoretical investigations have an important enlightenment function to analyze the ultrafast dynamics in semiconductor and the charge transfer process across the interfaces.
Xiaohu Li
commented on 03 September, 2013
Thanks, it is a very good paper.
oliver yang
commented on 04 September, 2013
it's an outstanding work!
Mingjun Yang
commented on 04 September, 2013
The quantitative relationship between anisotropic charge transfer mobility and the organic crystal architecture parameters is attractive and useful in understanding and design of new semiconductor material. Additionally, the prediction can be made from the quantum chemistry calculations which is really amazing work.
Ying Shi
commented on 07 September, 2013
I think this is a excellent work
oliver yang
commented on 07 September, 2013
Yang Di said: I think it's an outstanding work!
Xianghua Zhang
commented on 09 September, 2013
This work provides an explicit strategy to theoretically explore anisotropic electron transfer mechanisms in organic semiconductor. This work will be beneficial for the development of vast fields based on organic semiconductors including organic electrochemistry, organic photovoltaic cell, etc.
yang hou
commented on 09 September, 2013
important work.
Keli Han
commented on 10 September, 2013
Reply to Boran Han: In fact, the charge hopping direction is stochastic, and in our model, Pi = Wi/ΣiWi represents the hopping probability of the ith hopping pathway. However, the charge hopping rate between adjacent organic molecules is quite different, which is mainly related to the difference between the intermolecular electronic couplings. Our simulation model reflects the relationship between the anisotropic mobilities and organic crystal packing architecture parameters as well as the intermolecular electronic couplings depended on crystal packing architecture.Rely to Xiaohu Li: true, there is no interaction between diffusion pathways, and our assumption has little influence to the capabilities of the model.
Guochun Yang
commented on 07 October, 2013
A fundamental understanding of relationship between intermolecular interactions and transport properties in organic semiconducting materials for potential applications as electronic device element is significant. In this work, Han et al established the quantitative relationship between angular resolution anisotropic mobilities and organic crystal packing architecture parameters (r, θ, and γ), which will be very useful for understanding and reorganization of anisotropic mobility in organic semiconducting materials.
Deepak Sharma
commented on 27 June, 2018
Nice article..
12 comments flagged for moderation
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Subject Areas
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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
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This is a preprint. It has not completed peer review.
Method Article
Anisotropic Mobilities in Organic Semiconductors
Keli Han
Han's Lab, Dalian Institute of Chemical Physics, Dalian, China
Corresponding Author
Badges
Prescreen
This manuscript passed our Prescreen assessment
Complete author information
Appropriate declaration statements
Potential risks to human health
Prescreen
History
CURRENT STATUS: Posted
Version 1
Posted 22 Aug, 2013
Community comments: 50
Metrics
Comments: 50
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
Boran Han
commented on 26 August, 2013
Hi, very impressive work on building the 1d diffusion equations model. What's the physical picture behind it? Does it mean that anisotropic mobilities are essentially biased stochastic process?
Wenliang Li
commented on 27 August, 2013
Excellent work.
Qian Xu
commented on 27 August, 2013
I like this paper, which is really helpful for our research.
Yi Ma
commented on 27 August, 2013
Quite interesting!
Wang Junhua
commented on 27 August, 2013
Good.
zhao han
commented on 27 August, 2013
It is really good paper. I like it.
Jian Ma
commented on 27 August, 2013
I find this topic quite interesting.
shuhao wen
commented on 27 August, 2013
Anisotropic charge-carrier mobility is an interesting and important topic of organic semiconductor materials. With the research and development of single crystal OFET, mobility anisotropy attracts more and more attention. Pioneering works of John A. Rogers in 2004, and the good research from Bao z' lab in Stanford are typical experimental research. Theoretical work needs to keep space with experiments, and many groups are doing research to build the model of anisotropic mobility for organic semiconductors materials. The advantages of our model are using a intuitional way to consider the effects from all different electronic couplings in the crystal structures on every conducting channel, and in this way to incorporate important transport parameters such as electronic coupling, reorganization energy, and the materials crystal geometry (not only the packing but also the lattice). The error cancellations still exist in current model. Any comments are appreciated about the model.
Jing Guan
commented on 27 August, 2013
The protocol promotes the development of high-performance organic semiconductor materials. DFT computations combined with experimental data shed new light on anisotropic charge transport characteristics.
Rui Yu
commented on 29 August, 2013
The research on anisotropic mobility in organic semiconductors would be very interesting.
Ruifeng Lu
commented on 29 August, 2013
In Han's series of works, the accurate quantum descriptions and predictions of anisotropic mobilities in organic semiconductors provides very helpful guidance for relevant experiments. Good jobs!
Xian-Fang Yue
commented on 31 August, 2013
This protocol provides me an exciting and useful result about the the anisotropic charge-carrier mobility. Especially, the anisotropic mobility analytical expressions are very helpful for me to carriy out the studies on synthetic design of organic semiconductor materials.
Tianshu Chu
commented on 31 August, 2013
I think this is a very useful protocol. The idea of establishing the relationship between anisotropic charge transfer mobility and the organic crystal material is very exciting and useful for studying and developing organic semiconductors. The successful application of the proposed method in various types of organic semiconductors should make the protocol attractive and valuable to a wide range of researchers (both experimentalists and theoreticians) in the relevant area. It is a seriously impressive piece of work.
Xiaohu Li
commented on 01 September, 2013
I read this paper with interest. Apparently, with an joint efforts of work for several years, an interesting and useful model that give the quantitative relationship between angular resolution anisotropic mobilities and organic crystal packing architecture parameters is now proposed and was proved to be able to achieve good agreements with experiments. true, it will be very helpful for "design" when we can use a simpler an more intuitive model to offer clear physical insight. I was wondering, this model was established by ignoring diffusion pathways interaction in the one-dimensional diffusion equations, is there any influence of this assumption to the capabilities of the model?
peng song
commented on 02 September, 2013
Recently, we have studied the electron transfer rate of the organic material based on Marcus theory. After I read your interesting paper entitled "Anisotropic Mobilities in Organic Semiconductors", some results about the anisotropic charge-carrier mobility inspire us for deeply understanding the physical properties of the organic material. The quantitative relationship between angular resolution anisotropic mobilities and organic crystal packing architecture parameters (r, θ, and γ) provides a useful method for predicting anisotropic mobilities in organic semiconducting materials. Especially, the theoretical investigations have an important enlightenment function to analyze the ultrafast dynamics in semiconductor and the charge transfer process across the interfaces.
Xiaohu Li
commented on 03 September, 2013
Thanks, it is a very good paper.
oliver yang
commented on 04 September, 2013
it's an outstanding work!
Mingjun Yang
commented on 04 September, 2013
The quantitative relationship between anisotropic charge transfer mobility and the organic crystal architecture parameters is attractive and useful in understanding and design of new semiconductor material. Additionally, the prediction can be made from the quantum chemistry calculations which is really amazing work.
Ying Shi
commented on 07 September, 2013
I think this is a excellent work
oliver yang
commented on 07 September, 2013
Yang Di said: I think it's an outstanding work!
Xianghua Zhang
commented on 09 September, 2013
This work provides an explicit strategy to theoretically explore anisotropic electron transfer mechanisms in organic semiconductor. This work will be beneficial for the development of vast fields based on organic semiconductors including organic electrochemistry, organic photovoltaic cell, etc.
yang hou
commented on 09 September, 2013
important work.
Keli Han
commented on 10 September, 2013
Reply to Boran Han: In fact, the charge hopping direction is stochastic, and in our model, Pi = Wi/ΣiWi represents the hopping probability of the ith hopping pathway. However, the charge hopping rate between adjacent organic molecules is quite different, which is mainly related to the difference between the intermolecular electronic couplings. Our simulation model reflects the relationship between the anisotropic mobilities and organic crystal packing architecture parameters as well as the intermolecular electronic couplings depended on crystal packing architecture.Rely to Xiaohu Li: true, there is no interaction between diffusion pathways, and our assumption has little influence to the capabilities of the model.
Guochun Yang
commented on 07 October, 2013
A fundamental understanding of relationship between intermolecular interactions and transport properties in organic semiconducting materials for potential applications as electronic device element is significant. In this work, Han et al established the quantitative relationship between angular resolution anisotropic mobilities and organic crystal packing architecture parameters (r, θ, and γ), which will be very useful for understanding and reorganization of anisotropic mobility in organic semiconducting materials.
Deepak Sharma
commented on 27 June, 2018
Nice article..
Boran Han
commented on 26 August, 2013
Hi, very impressive work on building the 1d diffusion equations model. What's the physical picture behind it? Does it mean that anisotropic mobilities are essentially biased stochastic process?
Wenliang Li
commented on 27 August, 2013
Excellent work.
Qian Xu
commented on 27 August, 2013
I like this paper, which is really helpful for our research.
Yi Ma
commented on 27 August, 2013
Quite interesting!
Wang Junhua
commented on 27 August, 2013
Good.
zhao han
commented on 27 August, 2013
It is really good paper. I like it.
Jian Ma
commented on 27 August, 2013
I find this topic quite interesting.
shuhao wen
commented on 27 August, 2013
Anisotropic charge-carrier mobility is an interesting and important topic of organic semiconductor materials. With the research and development of single crystal OFET, mobility anisotropy attracts more and more attention. Pioneering works of John A. Rogers in 2004, and the good research from Bao z' lab in Stanford are typical experimental research. Theoretical work needs to keep space with experiments, and many groups are doing research to build the model of anisotropic mobility for organic semiconductors materials. The advantages of our model are using a intuitional way to consider the effects from all different electronic couplings in the crystal structures on every conducting channel, and in this way to incorporate important transport parameters such as electronic coupling, reorganization energy, and the materials crystal geometry (not only the packing but also the lattice). The error cancellations still exist in current model. Any comments are appreciated about the model.
Jing Guan
commented on 27 August, 2013
The protocol promotes the development of high-performance organic semiconductor materials. DFT computations combined with experimental data shed new light on anisotropic charge transport characteristics.
Rui Yu
commented on 29 August, 2013
The research on anisotropic mobility in organic semiconductors would be very interesting.
Ruifeng Lu
commented on 29 August, 2013
In Han's series of works, the accurate quantum descriptions and predictions of anisotropic mobilities in organic semiconductors provides very helpful guidance for relevant experiments. Good jobs!
Xian-Fang Yue
commented on 31 August, 2013
This protocol provides me an exciting and useful result about the the anisotropic charge-carrier mobility. Especially, the anisotropic mobility analytical expressions are very helpful for me to carriy out the studies on synthetic design of organic semiconductor materials.
Tianshu Chu
commented on 31 August, 2013
I think this is a very useful protocol. The idea of establishing the relationship between anisotropic charge transfer mobility and the organic crystal material is very exciting and useful for studying and developing organic semiconductors. The successful application of the proposed method in various types of organic semiconductors should make the protocol attractive and valuable to a wide range of researchers (both experimentalists and theoreticians) in the relevant area. It is a seriously impressive piece of work.
Xiaohu Li
commented on 01 September, 2013
I read this paper with interest. Apparently, with an joint efforts of work for several years, an interesting and useful model that give the quantitative relationship between angular resolution anisotropic mobilities and organic crystal packing architecture parameters is now proposed and was proved to be able to achieve good agreements with experiments. true, it will be very helpful for "design" when we can use a simpler an more intuitive model to offer clear physical insight. I was wondering, this model was established by ignoring diffusion pathways interaction in the one-dimensional diffusion equations, is there any influence of this assumption to the capabilities of the model?
peng song
commented on 02 September, 2013
Recently, we have studied the electron transfer rate of the organic material based on Marcus theory. After I read your interesting paper entitled "Anisotropic Mobilities in Organic Semiconductors", some results about the anisotropic charge-carrier mobility inspire us for deeply understanding the physical properties of the organic material. The quantitative relationship between angular resolution anisotropic mobilities and organic crystal packing architecture parameters (r, θ, and γ) provides a useful method for predicting anisotropic mobilities in organic semiconducting materials. Especially, the theoretical investigations have an important enlightenment function to analyze the ultrafast dynamics in semiconductor and the charge transfer process across the interfaces.
Xiaohu Li
commented on 03 September, 2013
Thanks, it is a very good paper.
oliver yang
commented on 04 September, 2013
it's an outstanding work!
Mingjun Yang
commented on 04 September, 2013
The quantitative relationship between anisotropic charge transfer mobility and the organic crystal architecture parameters is attractive and useful in understanding and design of new semiconductor material. Additionally, the prediction can be made from the quantum chemistry calculations which is really amazing work.
Ying Shi
commented on 07 September, 2013
I think this is a excellent work
oliver yang
commented on 07 September, 2013
Yang Di said: I think it's an outstanding work!
Xianghua Zhang
commented on 09 September, 2013
This work provides an explicit strategy to theoretically explore anisotropic electron transfer mechanisms in organic semiconductor. This work will be beneficial for the development of vast fields based on organic semiconductors including organic electrochemistry, organic photovoltaic cell, etc.
yang hou
commented on 09 September, 2013
important work.
Keli Han
commented on 10 September, 2013
Reply to Boran Han: In fact, the charge hopping direction is stochastic, and in our model, Pi = Wi/ΣiWi represents the hopping probability of the ith hopping pathway. However, the charge hopping rate between adjacent organic molecules is quite different, which is mainly related to the difference between the intermolecular electronic couplings. Our simulation model reflects the relationship between the anisotropic mobilities and organic crystal packing architecture parameters as well as the intermolecular electronic couplings depended on crystal packing architecture.Rely to Xiaohu Li: true, there is no interaction between diffusion pathways, and our assumption has little influence to the capabilities of the model.
Guochun Yang
commented on 07 October, 2013
A fundamental understanding of relationship between intermolecular interactions and transport properties in organic semiconducting materials for potential applications as electronic device element is significant. In this work, Han et al established the quantitative relationship between angular resolution anisotropic mobilities and organic crystal packing architecture parameters (r, θ, and γ), which will be very useful for understanding and reorganization of anisotropic mobility in organic semiconducting materials.
Deepak Sharma
commented on 27 June, 2018
Nice article..
12 comments flagged for moderation
If you posted a comment and think it was mistakenly removed, please contact customer support at [email protected].
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