Growth direction dependent separate-channel charge transport in organic weak charge-transfer co-crystal of anthracene-DTTCNQ

2022 ◽  
Author(s):  
Hui Jiang ◽  
Jun Ye ◽  
Peng Hu ◽  
Shengli Zhu ◽  
Yanqin Liang ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Charge Transport ◽  
Electronic Properties ◽  
Single Crystals ◽  
Organic Semiconductors ◽  
Crystal Engineering ◽  
Molecular Crystal ◽  
Growth Direction ◽  
Weak Charge ◽  
Separate Channel

Co-crystallization is an efficient way of molecular crystal engineering to tune the electronic properties of organic semiconductors. In this work, we synthesized anthracene-4,8-bis(dicyanomethylene)4,8-dihydrobenzo[1,2-b:4,5-b’]-dithiophene (DTTCNQ) single crystals as a template to...

scholarly journals Molecular dynamics and charge transport in organic semiconductors: a classical approach to modeling electron transfer

2017 ◽  
Vol 8 (4) ◽  
pp. 2597-2609 ◽  
Author(s):  
Kenley M. Pelzer ◽  
Álvaro Vázquez-Mayagoitia ◽  
Laura E. Ratcliff ◽  
Sergei Tretiak ◽  
Raymond A. Bair ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Electron Transfer ◽  
Charge Transfer ◽  
Charge Transport ◽  
Ab Initio ◽  
Organic Semiconductors ◽  
Multiscale Approach ◽  
Classical Approach ◽  
Classical Molecular Dynamics

Using ab initio calculations of charges in PCBM fullerenes, a multiscale approach applies classical molecular dynamics to model charge transfer.

scholarly journals How to calculate charge mobility in molecular materials from surface hopping non-adiabatic molecular dynamics – beyond the hopping/band paradigm

2019 ◽  
Vol 21 (48) ◽  
pp. 26368-26386 ◽  
Author(s):  
Antoine Carof ◽  
Samuele Giannini ◽  
Jochen Blumberger
Keyword(s):  
Molecular Dynamics ◽  
Charge Transfer ◽  
Charge Transport ◽  
Organic Semiconductors ◽  
High Mobility ◽  
Molecular Materials ◽  
Surface Hopping ◽  
Charge Mobility

We present an efficient surface hopping approach tailored to study charge transport in high mobility organic semiconductors and discuss key improvements with regard to decoherence, trivial crossings and spurious charge transfer.

The Impact of Interlayer Electronic Coupling on Charge Transport in Organic Semiconductors: A Case Study on Titanylphthalocyanine Single Crystals

2016 ◽  
Vol 55 (17) ◽  
pp. 5206-5209 ◽  
Author(s):  
Zongpeng Zhang ◽  
Lang Jiang ◽  
Changli Cheng ◽  
Yonggang Zhen ◽  
Guangyao Zhao ◽  
...  
Keyword(s):  
Charge Transport ◽  
Single Crystals ◽  
Organic Semiconductors ◽  
Electronic Coupling ◽  
The Impact

Tuning of the degree of charge transfer and the electronic properties in organic binary compounds by crystal engineering: a perspective

2018 ◽  
Vol 6 (8) ◽  
pp. 1884-1902 ◽  
Author(s):  
Hui Jiang ◽  
Peng Hu ◽  
Jun Ye ◽  
Keke K. Zhang ◽  
Yi Long ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Electronic Properties ◽  
Aromatic Hydrocarbons ◽  
Crystal Engineering ◽  
Binary Compounds ◽  
Degree Of Charge Transfer

7,7,8,8-Tetracyanoquinodimethane (TCNQ) and FxTCNQ (x = 1, 2, 4) as acceptors and aromatic hydrocarbons form a variety of compounds in which the degree of charge transfer is tuned by crystal engineering.

Hydrostatic pressure effect on charge transport properties of phenacene organic semiconductors

2016 ◽  
Vol 18 (20) ◽  
pp. 13888-13896 ◽  
Author(s):  
Thao P. Nguyen ◽  
Ji Hoon Shim
Keyword(s):  
Charge Transfer ◽  
Hydrostatic Pressure ◽  
Charge Transport ◽  
Transport Properties ◽  
Organic Semiconductors ◽  
Electron Mobility ◽  
Pressure Effect ◽  
Applied Pressure ◽  
Dft Study ◽  
Classical Charge

A detailed DFT study on the effect of applied pressure on the hole and electron mobility of phenacene organic semiconductors using Marcus classical charge transfer theory.

Control of Electronic Properties of Organic Semiconductor

2011 ◽  
Vol 287-290 ◽  
pp. 725-728
Author(s):  
Ke Jie Tan ◽  
Ke Ke Zhang ◽  
Shu Qin Liang ◽  
Wai Hoong Kan ◽  
Subodh G Mhaisalkar ◽  
...  
Keyword(s):  
Integrated Circuits ◽  
Electronic Properties ◽  
Single Crystals ◽  
Organic Semiconductors ◽  
Field Effect ◽  
Copper Phthalocyanine ◽  
Field Effect Transistors ◽  
Organic Field Effect Transistors ◽  
Crystal Field Effect ◽  
High Efficient

The electronic properties of organic field effect transistors limit the efficiency of integrated circuits build on basis of printed organic semiconductors. In order to control the mobility of high efficient semiconductors, like rubrene, tetracene, tetracyanoquinodimethane (TCNQ), copper phthalocyanine and many others, single-crystal field-effect transistors have been prepared on surfaces of single crystals and characteristics have been measured. The highest mobility has been measured on rubrene single crystals. The mobility of as-grown crystals measured by air-gap field effect transistor is in the range of 10 cm2/Vs but falls below 1 cm2/Vs during reduction. It was observed that the measured mobility depends on the dielectric used for field effect transistors.

scholarly journals Voltage-induced long-range coherent electron transfer through organic molecules

2019 ◽  
Vol 116 (13) ◽  
pp. 5931-5936 ◽  
Author(s):  
Karen Michaeli ◽  
David N. Beratan ◽  
David H. Waldeck ◽  
Ron Naaman
Keyword(s):  
Electron Transfer ◽  
Charge Transfer ◽  
Charge Transport ◽  
Molecular Orbital ◽  
Organic Semiconductors ◽  
Electronic States ◽  
Long Distance ◽  
Damage Repair ◽  
Limited Temperature ◽  
Voltage Dependent

Biological structures rely on kinetically tuned charge transfer reactions for energy conversion, biocatalysis, and signaling as well as for oxidative damage repair. Unlike man-made electrical circuitry, which uses metals and semiconductors to direct current flow, charge transfer in living systems proceeds via biomolecules that are nominally insulating. Long-distance charge transport, which is observed routinely in nucleic acids, peptides, and proteins, is believed to arise from a sequence of thermally activated hopping steps. However, a growing number of experiments find limited temperature dependence for electron transfer over tens of nanometers. To account for these observations, we propose a temperature-independent mechanism based on the electric potential difference that builds up along the molecule as a precursor of electron transfer. Specifically, the voltage changes the nature of the electronic states away from being sharply localized so that efficient resonant tunneling across long distances becomes possible without thermal assistance. This mechanism is general and is expected to be operative in molecules where the electronic states densely fill a wide energy window (on the scale of electronvolts) above or below the gap between the highest-occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO). We show that this effect can explain the temperature-independent charge transport through DNA and the strongly voltage-dependent currents that are measured through organic semiconductors and peptides.

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