Design and synthesis of two-dimensional covalent organic frameworks with four-arm cores: prediction of remarkable ambipolar charge-transport properties

2019 ◽  
Vol 6 (9) ◽  
pp. 1868-1876 ◽  
Author(s):  
Simil Thomas ◽  
Hong Li ◽  
Raghunath R. Dasari ◽  
Austin M. Evans ◽  
Ioannina Castano ◽  
...  
Keyword(s):  
Charge Transport ◽  
Transport Properties ◽  
Experimental Investigations ◽  
Two Dimensional ◽  
Covalent Organic Frameworks ◽  
Design And Synthesis

Theoretical and experimental investigations of diacetylene-linked COFs with remarkable charge-transport properties.

Design and Synthesis of Two-Dimensional Covalent Organic Frameworks with Four-Arm Cores: Prediction of Remarkable Ambipolar Charge-Transport Properties

2019 ◽  
Author(s):  
Simil Thomas ◽  
Hong Li ◽  
Raghunath R. Dasari ◽  
Austin Evans ◽  
William Dichtel ◽  
...  
Keyword(s):  
Charge Transport ◽  
Organic Semiconductors ◽  
Density Functional ◽  
Polymer Networks ◽  
Two Dimensional ◽  
Covalent Organic Frameworks ◽  
X Ray Diffraction ◽  
Zinc Porphyrin ◽  
Design And Synthesis ◽  
Predicted Values

<p>We have considered three two-dimensional (2D) π-conjugated polymer networks (i.e., covalent organic frameworks, COFs) materials based on pyrene, porphyrin, and zinc-porphyrin cores connected <i>via</i> diacetylenic linkers. Their electronic structures, investigated at the density functional theory global-hybrid level, are indicative of valence and conduction bands that have large widths, ranging between 1 and 2 eV. Using a molecular approach to derive the electronic couplings between adjacent core units and the electron-vibration couplings, the three π-conjugated 2D COFs are predicted to have ambipolar charge-transport characteristics with electron and hole mobilities in the range of 65-95 cm<sup>2</sup>V<sup>-1</sup>s<sup>-1</sup>. Such predicted values rank these 2D COFs among the highest-mobility organic semiconductors. In addition, we have synthesized the zinc-porphyrin based 2D COF and carried out structural characterization via powder X-ray diffraction and surface area analysis, which demonstrates the feasability of these electroactive networks.</p>

Design and Synthesis of Two-Dimensional Covalent Organic Frameworks with Four-Arm Cores: Prediction of Remarkable Ambipolar Charge-Transport Properties

2019 ◽  
Author(s):  
Simil Thomas ◽  
Hong Li ◽  
Raghunath R. Dasari ◽  
William Dichtel ◽  
Seth R. Marder ◽  
...  
Keyword(s):  
Charge Transport ◽  
Organic Semiconductors ◽  
Density Functional ◽  
Polymer Networks ◽  
Two Dimensional ◽  
Covalent Organic Frameworks ◽  
X Ray Diffraction ◽  
Zinc Porphyrin ◽  
Design And Synthesis ◽  
Predicted Values

<p>We have considered three two-dimensional (2D) π-conjugated polymer networks (i.e., covalent organic frameworks, COFs) materials based on pyrene, porphyrin, and zinc-porphyrin cores connected <i>via</i> diacetylenic linkers. Their electronic structures, investigated at the density functional theory global-hybrid level, are indicative of valence and conduction bands that have large widths, ranging between 1 and 2 eV. Using a molecular approach to derive the electronic couplings between adjacent core units and the electron-vibration couplings, the three π-conjugated 2D COFs are predicted to have ambipolar charge-transport characteristics with electron and hole mobilities in the range of 65-95 cm<sup>2</sup>V<sup>-1</sup>s<sup>-1</sup>. Such predicted values rank these 2D COFs among the highest-mobility organic semiconductors. In addition, we have synthesized the zinc-porphyrin based 2D COF and carried out structural characterization via powder X-ray diffraction and surface area analysis, which demonstrates the feasability of these electroactive networks.</p>

Design and Synthesis of Two-Dimensional Covalent Organic Frameworks with Four-Arm Cores: Prediction of Remarkable Ambipolar Charge-Transport Properties

2019 ◽  
Author(s):  
Simil Thomas ◽  
Hong Li ◽  
Raghunath R. Dasari ◽  
Austin Evans ◽  
William Dichtel ◽  
...  
Keyword(s):  
Charge Transport ◽  
Organic Semiconductors ◽  
Density Functional ◽  
Polymer Networks ◽  
Two Dimensional ◽  
Covalent Organic Frameworks ◽  
X Ray Diffraction ◽  
Zinc Porphyrin ◽  
Design And Synthesis ◽  
Predicted Values

<p>We have considered three two-dimensional (2D) π-conjugated polymer networks (i.e., covalent organic frameworks, COFs) materials based on pyrene, porphyrin, and zinc-porphyrin cores connected <i>via</i> diacetylenic linkers. Their electronic structures, investigated at the density functional theory global-hybrid level, are indicative of valence and conduction bands that have large widths, ranging between 1 and 2 eV. Using a molecular approach to derive the electronic couplings between adjacent core units and the electron-vibration couplings, the three π-conjugated 2D COFs are predicted to have ambipolar charge-transport characteristics with electron and hole mobilities in the range of 65-95 cm<sup>2</sup>V<sup>-1</sup>s<sup>-1</sup>. Such predicted values rank these 2D COFs among the highest-mobility organic semiconductors. In addition, we have synthesized the zinc-porphyrin based 2D COF and carried out structural characterization via powder X-ray diffraction and surface area analysis, which demonstrates the feasability of these electroactive networks.</p>

Metal-Organic Framework Transistors for Dopamine Sensing

2021 ◽  
Author(s):  
Jiajun Song ◽  
Jianzhong Zheng ◽  
Anneng Yang ◽  
Hong Liu ◽  
Zeyu Zhao ◽  
...  
Keyword(s):  
Charge Transport ◽  
Transport Properties ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
High Porosity ◽  
Two Dimensional ◽  
Metal Organic ◽  
Organic Framework

Two-dimensional (2D) conductive metal-organic frameworks (MOFs) can not only inherit the high porosity and tailorability of traditional MOFs but also exhibit unique charge transport properties, offering promising opportunities for applications...

Universal approach toward high-efficiency two-dimensional perovskite solar cells via a vertical-rotation process

2020 ◽  
Vol 13 (9) ◽  
pp. 3093-3101 ◽  
Author(s):  
Yi Yang ◽  
Cheng Liu ◽  
Arup Mahata ◽  
Mo Li ◽  
Cristina Roldán-Carmona ◽  
...  
Keyword(s):  
Solar Cells ◽  
Charge Transport ◽  
Transport Properties ◽  
Crystal Orientation ◽  
High Efficiency ◽  
Perovskite Solar Cells ◽  
Two Dimensional ◽  
Universal Approach

A universal vertically-rotated (VR) methodology is proposed to rotate the crystal orientation of 2D perovskites, which improves charge transport properties by several orders of magnitude and boosts the efficiency of 2D (n ≤ 4) PSCs to above 17%.

Nanomechanical and Charge Transport Properties of Two-Dimensional Atomic Sheets

2014 ◽  
Vol 1 (3) ◽  
pp. 1300089 ◽  
Author(s):  
Jeong Y. Park ◽  
Sangku Kwon ◽  
Jong Hun Kim
Keyword(s):  
Charge Transport ◽  
Transport Properties ◽  
Two Dimensional

scholarly journals Unraveling the Effect of Defects, Domain Size, and Chemical Doping on Photophysics and Charge Transport in Covalent Organic Frameworks

2021 ◽  
Author(s):  
Raja Ghosh ◽  
Francesco Paesani
Keyword(s):  
Charge Transport ◽  
Domain Size ◽  
Chemical Doping ◽  
Two Dimensional ◽  
Covalent Organic Frameworks ◽  
Physical Mechanisms

Understanding the underlying physical mechanisms that govern charge transport in two-dimensional (2D) covalent organic frameworks (COFs) will facilitate the development of novel COF-based devices for optoelectronic and thermoelectric applications. In this...

Ferroelectric and Charge Transport Properties in Strain-Engineered Two-Dimensional Lead Iodide Perovskites

2021 ◽  
Author(s):  
Dohyung Kim ◽  
Bogdan Dryzhakov ◽  
Yongtao Liu ◽  
Olga S. Ovchinnikova ◽  
Bin Hu ◽  
...  
Keyword(s):  
Charge Transport ◽  
Transport Properties ◽  
Two Dimensional ◽  
Lead Iodide

scholarly journals Exploring structure based charge transport relationships in phenyl diketopyrrolopyrrole single crystals using a 2D π–π dimer model system

2017 ◽  
Vol 5 (16) ◽  
pp. 3993-3998 ◽  
Author(s):  
Jesus Calvo-Castro ◽  
Callum J. McHugh
Keyword(s):  
Single Crystal ◽  
Charge Transport ◽  
Transport Properties ◽  
Single Crystals ◽  
Model System ◽  
Two Dimensional ◽  
Dimer Model ◽  
Π Stacking ◽  
System P ◽  
Model Dimer

Two dimensional π–π model dimer system will enable researchers to predict charge transport properties for phenyl-based diketopyrrolopyrroles using their single crystal π-stacking data.

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