Charge Transport Calculation along Two‐Dimensional Metal/Semiconductor/Metal Systems

2019 ◽  
Vol 60 (8-9) ◽  
pp. 888-896
Author(s):  
Gabriela Ben‐Melech Stan ◽  
Kapil Dhaka ◽  
Maytal Caspary Toroker
Keyword(s):  
Charge Transport ◽  
Two Dimensional ◽  
Metal Semiconductor Metal ◽  
Transport Calculation

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>

Combined Healing and Doping of Transition Metal Dichalcogenides Through Molecular Functionalization

2021 ◽  
Author(s):  
Sai Manoj Gali ◽  
David Beljonne
Keyword(s):  
Transition Metal ◽  
Charge Transport ◽  
2D Materials ◽  
Transition Metal Dichalcogenides ◽  
Two Dimensional ◽  
Metal Dichalcogenides

Transition Metal Dichalcogenides (TMDCs) are emerging as promising two-dimensional (2D) materials. Yet, TMDCs are prone to inherent defects such as chalcogen vacancies, which are detrimental to charge transport. Passivation of...

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...

Charge Transport in Antiferromagnetic Insulating Phase of Two-Dimensional Organic Conductor λ-(BETS)2FeCl4

2016 ◽  
Vol 85 (6) ◽  
pp. 064703 ◽  
Author(s):  
Shiori Sugiura ◽  
Kazuo Shimada ◽  
Naoya Tajima ◽  
Yutaka Nishio ◽  
Taichi Terashima ◽  
...  
Keyword(s):  
Charge Transport ◽  
Two Dimensional ◽  
Organic Conductor ◽  
Insulating Phase

scholarly journals Cross-plane transport in a single-molecule two-dimensional van der Waals heterojunction

2020 ◽  
Vol 6 (22) ◽  
pp. eaba6714 ◽  
Author(s):  
Shiqiang Zhao ◽  
Qingqing Wu ◽  
Jiuchan Pi ◽  
Junyang Liu ◽  
Jueting Zheng ◽  
...  
Keyword(s):  
Charge Transport ◽  
Single Molecule ◽  
Density Functional ◽  
Electronic Materials ◽  
2D Materials ◽  
Molecular Layer ◽  
Van Der Waals ◽  
Density Functional Theory Calculations ◽  
Two Dimensional ◽  
Guest Molecules

Two-dimensional van der Waals heterojunctions (2D-vdWHs) stacked from atomically thick 2D materials are predicted to be a diverse class of electronic materials with unique electronic properties. These properties can be further tuned by sandwiching monolayers of planar organic molecules between 2D materials to form molecular 2D-vdWHs (M-2D-vdWHs), in which electricity flows in a cross-plane way from one 2D layer to the other via a single molecular layer. Using a newly developed cross-plane break junction technique, combined with density functional theory calculations, we show that M-2D-vdWHs can be created and that cross-plane charge transport can be tuned by incorporating guest molecules. The M-2D-vdWHs exhibit distinct cross-plane charge transport signatures, which differ from those of molecules undergoing in-plane charge transport.

scholarly journals Fusing N-heteroacene analogues into one “kinked” molecule with slipped two-dimensional ladder-like packing

2016 ◽  
Vol 7 (2) ◽  
pp. 1309-1313 ◽  
Author(s):  
Jing Zhang ◽  
Chengyuan Wang ◽  
Guankui Long ◽  
Naoki Aratani ◽  
Hiroko Yamada ◽  
...  
Keyword(s):  
Charge Transport ◽  
Theoretical Calculations ◽  
Hole Mobility ◽  
Two Dimensional ◽  
Potential Well

An unexpected N-heteroacene with a slipped two-dimensional ladder-like packing feature shows a hole mobility up to 0.3 cm2 V−1 s−1, while theoretical calculations suggest that this compound possesses potential well-balanced ambipolar charge-transport characteristics.

Slot-Die-Printed Two-Dimensional ZrS3 Charge Transport Layer for Perovskite Light-Emitting Diodes

2019 ◽  
Vol 11 (51) ◽  
pp. 48021-48028 ◽  
Author(s):  
Dmitry S. Muratov ◽  
Artur R. Ishteev ◽  
Dmitry A. Lypenko ◽  
Vladislav O. Vanyushin ◽  
Pavel Gostishev ◽  
...  
Keyword(s):  
Charge Transport ◽  
Light Emitting Diodes ◽  
Transport Layer ◽  
Two Dimensional ◽  
Light Emitting ◽  
Slot Die ◽  
Charge Transport Layer
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