The promotion effects of thionation and isomerization on charge carrier mobility in naphthalene diimide crystals

Literature Information

Publication Date 2017-09-20
DOI 10.1039/C7CP03787B
Impact Factor 3.676
Authors


View Original

Abstract

Herein, the promotion effects of thionation and isomerization on the carrier mobility properties of naphthalene diimide and thionated naphthalene diimide crystals were investigated in detail based on the Marcus–Hush theory and quantum-chemical calculations. The thionation of NDIs will improve the charge mobility of both electrons and holes, which is similar to the thionation of PDIs. The compound P only behaves as an n-type organic semiconductor (OSC), whereas the three other thionation structures have higher mobility values and can behave as p-type OSCs. For the cis/trans isomers of the two double-thionation structures, trans-S2 has a larger hole and electron carrier mobility than cis-S2; this is consistent with the experimental results obtained for cis–trans-isomers. A potential strategy for the development of high performance ambipolar OSCs is the substitution of O atoms by S atoms. These results will provide a guide for the design and optimization of OSCs via analysis of the relationship between carrier mobility and molecular crystal structures.

Related Literature

Low band gap semiconducting covalent organic framework films with enhanced photocatalytic hydrogen evolution

Hüseyin Küçükkeçeci, Rajendra Prasad Paitandi, Vincent Weigelt, Veit Dippold, Shu Seki, Arne Thomas

2023-11-20 Paper

DOI: 10.1039/D3TA04552H

Recent advances in ambient electrochemical methane conversion to oxygenates using metal oxide electrocatalysts

Fengli Liu, Yong Yan, Ge Chen, Dong Wang

2023-12-06 Tutorial Review

DOI: 10.1039/D3GC03513A

Direct measurement of the hydrogen adsorption entropy on shape-controlled Pt nanoparticles using electrochemical microcalorimetry

Luis E. Botello, José Solla-Gullón, Víctor Climent, Juan M. Feliu, Rolf Schuster

2023-10-26 Paper

DOI: 10.1039/D3TA04937J

Contents list

2023-12-19 Front/Back Matter

DOI: 10.1039/D4TA90002B

Advanced engineering strategies for Li2S cathodes in lithium–sulfur batteries

Guowei Gao, Xiaochen Yang, Jingxuan Bi, Wanqing Guan, Zhuzhu Du

2023-11-22 Review Article

DOI: 10.1039/D3TA06057H

Contents list

2024-01-02 Front/Back Matter

DOI: 10.1039/D4GC90003K

Defect-containing metal–organic framework materials for sensor applications

Dahui An, Long Chen, Yun Liang, Juan Hou

2023-12-11 Review Article

DOI: 10.1039/D3TA05592B

Suppressing pre-aggregation to increase polymer solar cell ink shelf life

Zhen Wang, Zhengxing Peng, Nrup Balar, Harald Ade

2023-11-02 Communication

DOI: 10.1039/D3TA06617G

Temperature and pressure induced structural transitions of lead iodide perovskites

Pratap Vishnoi, C. N. R. Rao

2023-11-03 Perspective

DOI: 10.1039/D3TA05315F

Solvation structure regulation of an organic small molecule additive for dendrite-free aqueous zinc-ion batteries

Xiaomin Li, Jinwei Miao, Fulong Hu, Kang Yan, Lin Song, Huiqing Fan, Longtao Ma, Weijia Wang

2023-11-27 Paper

DOI: 10.1039/D3TA05814J

You might also like

Compound Q&A

How should waste containing 2-Ethyl-4-Methyl-1H-Imidazole-5-Carbaldehyde (CAS: 88634-80-4) be handled?

Waste containing 2-Ethyl-4-Methyl-1H-Imidazole-5-Carbaldehyde (CAS: 88634-80-4) ...

88634-80-42-Ethyl-4-Methyl-1H-...
Compound Q&A

What industries use Triethoxy(octyl)silane (CAS: 1385031-14-0)?

Triethoxy(octyl)silane (CAS: 1385031-14-0) is widely used in the pharmaceuticals...

1385031-14-0Triethoxy(octyl)sila...
Compound Q&A

Are there alternatives to 3-iodo-7-nitro-1H-indazole (CAS: 864724-64-1) in synthesis?

Several alternatives to 3-iodo-7-nitro-1H-indazole (CAS: 864724-64-1) exist in t...

864724-64-13-iodo-7-nitro-1H-in...
Compound Q&A

Are there alternatives to Benzene, bis[(trimethoxysilyl)ethyl] (CAS: 266317-71-9) in synthesis?

Yes, there are alternatives to Benzene, bis[(trimethoxysilyl)ethyl] (CAS: 266317...

266317-71-9Benzene, bis[(trimet...
Compound Q&A

Is Isothiazole-3-carbonitrile (CAS: 1452-17-1) safe?

Isothiazole-3-carbonitrile (CAS: 1452-17-1) is generally considered safe when us...

1452-17-1Isothiazole-3-carbon...
Compound Q&A

Is (3-Chlorophenyl)methanol (CAS: 873-63-2) safe?

(3-Chlorophenyl)methanol (CAS: 873-63-2) is considered low to moderately toxic. ...

873-63-2(3-Chlorophenyl)meth...
Compound Q&A

How is (2S,3S)-2-Hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-(2-naphthyl)propanoic acid (CAS: 959583-98-3) typically synthesized?

(2S,3S)-2-Hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-(2-naphthyl)pr...

959583-98-3(2S,3S)-2-Hydroxy-3-...
Compound Q&A

What precautions should be taken when handling Methyl 2-(bromomethyl)-5-methoxybenzoate (CAS: 788081-99-2)?

Proper handling of methyl 2-(bromomethyl)-5-methoxybenzoate requires the use of ...

788081-99-2Methyl 2-(bromomethy...
Compound Q&A

What is 6,8-Dibromoimidazo[1,2-a]pyridine-2-carboxylic acid (CAS: 904805-36-3)?

6,8-Dibromoimidazo[1,2-a]pyridine-2-carboxylic acid (CAS: 904805-36-3) is an aro...

904805-36-36,8-Dibromoimidazo[1...
Compound Q&A

Is 3-Amino-5-bromo-2-pyridinecarbonitrile (CAS: 573675-27-1) safe?

3-Amino-5-bromo-2-pyridinecarbonitrile is considered safe when handled under pro...

573675-27-13-Amino-5-bromo-2-py...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Recommended Compounds

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.