scholarly journals Role of the reorganization energy for charge transport in disordered organic semiconductors

2021 ◽  
Vol 103 (16) ◽  
Author(s):  
R. Saxena ◽  
V. R. Nikitenko ◽  
I. I. Fishchuk ◽  
Ya. V. Burdakov ◽  
Yu. V. Metel ◽  
...  
Keyword(s):  
Charge Transport ◽  
Organic Semiconductors ◽  
Reorganization Energy

Nanoconfining solution-processed organic semiconductors for emerging optoelectronics

2021 ◽  
Author(s):  
Yuze Zhang ◽  
Alina Chen ◽  
Min-Woo Kim ◽  
Aida Alaei ◽  
Stephanie S. Lee
Keyword(s):  
Charge Transport ◽  
Organic Semiconductors ◽  
Organic Semiconductor ◽  
Light Emission ◽  
Solution Processed ◽  
Semiconductor Crystals

This tutorial review highlights the role of nanoconfinement in selecting for orientations and polymorphs of organic semiconductor crystals that are optimized for optoelectronic processes, including charge transport and light emission.

Nuclear quantum tunnelling and carrier delocalization effects to bridge the gap between hopping and bandlike behaviors in organic semiconductors

2016 ◽  
Vol 1 (1) ◽  
pp. 53-59 ◽  
Author(s):  
Yuqian Jiang ◽  
Xinxin Zhong ◽  
Wen Shi ◽  
Qian Peng ◽  
Hua Geng ◽  
...  
Keyword(s):  
Charge Transport ◽  
Organic Semiconductors ◽  
Significant Role ◽  
Transport Process ◽  
Quantum Tunnelling ◽  
Delocalization Effects

Our research investigated the significant role of nuclear tunnelling and carrier delocalization effects in the charge transport process of organic semiconductors.

scholarly journals Role of intermolecular charge delocalization and its dimensionality in efficient band-like electron transport in crystalline 2,5-difluoro-7,7,8,8-tetracyanoquinodimethane (F2-TCNQ)

2017 ◽  
Vol 19 (37) ◽  
pp. 25478-25486 ◽  
Author(s):  
Andrey Yu. Sosorev
Keyword(s):  
Electron Transport ◽  
Charge Transport ◽  
Organic Semiconductors ◽  
Theoretical Investigation ◽  
Small Molecule ◽  
Charge Delocalization

Theoretical investigation unravels the importance of multidimensional intermolecular charge delocalization for efficient band-like charge transport in small-molecule organic semiconductors.

Theoretical design of benzo[1,2-b:3,4-b′:5,6-b′′]tristhianaphthene and its derivatives as high performance organic semiconductors

2015 ◽  
Vol 14 (07) ◽  
pp. 1550058 ◽  
Author(s):  
Jun Yin ◽  
Kadali Chaitanya ◽  
Xue-Hai Ju
Keyword(s):  
Charge Carrier ◽  
Charge Transport ◽  
Transport Properties ◽  
Organic Semiconductors ◽  
High Performance ◽  
Reorganization Energy ◽  
Molecular Structures ◽  
Geometrical Structures ◽  
Subtle Change ◽  
Cyano Groups

In order to probe the effects of substituents (F and CN) attached to benzo[1,2-b:3,4-[Formula: see text]:5,6-[Formula: see text]]tristhianaphthene (BTTP) on their charge carrier transport properties, we investigated the characteristics of molecular structures and charge transport properties of BTTP and its derivatives (BTTP1, BTTP2, BTTP3, BTTP4, and BTTP5). Six crystal structures were predicted by the Monte Carlo-simulated annealing method with the embedded electrostatic potential charges method. Even a subtle change of geometrical structures may result in a great change of the reorganization energy. With increasing numbers of substituted fluorine atoms, the reorganization energy of the BTTP derivative increases, which is disadvantageous to the electron transport. In contrast, the attachment of the electron-withdrawing cyano groups to BTTP decreases the reorganization energy and raises the electron affinity, which is beneficial to electron injection and charge carrier stabilization. The introduction of cyano groups also results in an enhancement of [Formula: see text]–[Formula: see text] interaction and leads to an increase in the transfer integrals. Among the six compounds, the novel compound BTTP4 has the largest electron mobility (1.154[Formula: see text]cm[Formula: see text]) on account of its larger transfer integral and smaller reorganization energy, indicating that BTTP4 is a promising high-performance n-type organic semiconductor and worth to synthesize. The analysis of angular-resolution anisotropic mobilities for the BTTP and BTTP4 shows that it is helpful to control the orientations of the conducting channels for a better charge transport efficiency. This work provides a rational strategy for the design of high-performance n-type organic semiconductors from molecule to crystal structure.

Mechanism of charge transport in organic semiconductors and carbon nanomaterials

2015 ◽  
Vol 1733 ◽  
Author(s):  
Yuqian Jiang ◽  
Jinyang Xi ◽  
Zhigang Shuai
Keyword(s):  
Charge Transport ◽  
Organic Semiconductors ◽  
Carbon Nanomaterials ◽  
Quantum Effect ◽  
Reorganization Energy ◽  
Tunneling Effect ◽  
Interaction Matrix ◽  
Electron Phonon Interaction ◽  
Wide Range ◽  
Nuclear Tunneling

ABSTRACTWe develop theoretical descriptions for charge transport in organic semiconductors and carbon nanomaterials. For the localized charges, we found the quantum nuclear tunneling effect is essential which could manifest isotope effect for mobility as well as exotic optical feature. Because the nuclear tunneling tends to favor electron transfer while heavier nuclei decrease the quantum effect, isotopic substitution should reduce carrier mobility. Moreover, the isotopic effect only occurs when the substituted nuclei contribute actively to vibrations with appreciable charge reorganization energy and coupling with carrier motion. For the band-like transport, we propose a Wannier extrapolation scheme for computing the electron-phonon interaction matrix for the Boltzmann equation. Our calculation indicates that the intrinsic electron-phonon scatterings in two-dimensional carbon materials are dominated by low-energy longitudinal-acoustic phonon scatterings over a wide range of temperatures, while by high-frequency optical phonons at high temperature. The electron mobilities of α- and γ-graphynes are predicted to be ca.104 cm2V-1s-1 at room temperature.

scholarly journals Role of transport band edge variation on delocalized charge transport in high-mobility crystalline organic semiconductors

2017 ◽  
Vol 96 (12) ◽  
Author(s):  
Andrey Kadashchuk ◽  
Fei Tong ◽  
Robby Janneck ◽  
Ivan I. Fishchuk ◽  
Alexander Mityashin ◽  
...  
Keyword(s):  
Charge Transport ◽  
Organic Semiconductors ◽  
High Mobility ◽  
Band Edge
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