ChemInform Abstract: Computational Methods for Design of Organic Materials with High Charge Mobility

ChemInform ◽  
2010 ◽  
Vol 41 (17) ◽  
Author(s):  
Linjun Wang ◽  
Guangjun Nan ◽  
Xiaodi Yang ◽  
Qian Peng ◽  
Qikai Li ◽  
...  
Keyword(s):  
Computational Methods ◽  
Organic Materials ◽  
Charge Mobility ◽  
High Charge

Computational methods for design of organic materials with high charge mobility

2010 ◽  
Vol 39 (2) ◽  
pp. 423-434 ◽  
Author(s):  
Linjun Wang ◽  
Guangjun Nan ◽  
Xiaodi Yang ◽  
Qian Peng ◽  
Qikai Li ◽  
...  
Keyword(s):  
Computational Methods ◽  
Organic Materials ◽  
Charge Mobility ◽  
High Charge

Electrically conductive Covalent Organic Frameworks: Bridging the Fields of Organic Metals and 2D Materials

2021 ◽  
Author(s):  
Manuel Souto ◽  
Dmitrii Perepichka
Keyword(s):  
Organic Materials ◽  
2D Materials ◽  
Covalent Organic Frameworks ◽  
Electrically Conductive ◽  
Charge Mobility ◽  
High Charge ◽  
Organic Metals ◽  
Electrical Devices

The discovery of organic metals in 1970s opened the door to the design of electrical devices based on traditionally inert (insulating) organic materials. More recently, demonstration of record-high charge mobility...

2,6-Bis[2-(4-pentylphenyl)vinyl]anthracene:  A Stable and High Charge Mobility Organic Semiconductor with Densely Packed Crystal Structure

2006 ◽  
Vol 128 (29) ◽  
pp. 9304-9305 ◽  
Author(s):  
Hong Meng ◽  
Fangping Sun ◽  
Marc B. Goldfinger ◽  
Feng Gao ◽  
David J. Londono ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Organic Semiconductor ◽  
Charge Mobility ◽  
High Charge

A Unique Blend of 2‐Fluorenyl‐2‐anthracene and 2‐Anthryl‐2‐anthracence Showing White Emission and High Charge Mobility

2016 ◽  
Vol 129 (3) ◽  
pp. 740-745 ◽  
Author(s):  
Mengyun Chen ◽  
Yang Zhao ◽  
Lijia Yan ◽  
Shuai Yang ◽  
Yanan Zhu ◽  
...  
Keyword(s):  
Charge Mobility ◽  
High Charge ◽  
White Emission

Prediction of Charge Mobility in Amorphous Organic Materials through the Application of Hopping Theory

2011 ◽  
Vol 7 (8) ◽  
pp. 2556-2567 ◽  
Author(s):  
Choongkeun Lee ◽  
Robert Waterland ◽  
Karl Sohlberg
Keyword(s):  
Organic Materials ◽  
Charge Mobility

High Charge Mobility in Discotic Liquid-Crystalline Triindoles: Just a Core Business?

2011 ◽  
Vol 123 (32) ◽  
pp. 7537-7540 ◽  
Author(s):  
Eva M. García-Frutos ◽  
Upendra K. Pandey ◽  
Roberto Termine ◽  
Ana Omenat ◽  
Joaquín Barberá ◽  
...  
Keyword(s):  
Liquid Crystalline ◽  
Charge Mobility ◽  
High Charge ◽  
Core Business

scholarly journals High charge mobility in two-dimensional percolative networks of PbSe quantum dots connected by atomic bonds

2015 ◽  
Vol 6 (1) ◽  
Author(s):  
Wiel H. Evers ◽  
Juleon M. Schins ◽  
Michiel Aerts ◽  
Aditya Kulkarni ◽  
Pierre Capiod ◽  
...  
Keyword(s):  
Quantum Dots ◽  
Two Dimensional ◽  
Charge Mobility ◽  
High Charge

scholarly journals Local Structuring of Diketopyrrolopyrrole (DPP)-Based Semiconducting Polymers Using Molecular Dynamics Simulations

2020 ◽  
Author(s):  
Maryam Reisjalali ◽  
Jose Javier Burgos Marmol ◽  
Alessandro Troisi
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Electronic Devices ◽  
Atomic Level ◽  
Semiconducting Polymers ◽  
The Other ◽  
Charge Mobility ◽  
High Charge ◽  
High Performing ◽  
Dynamics Simulations

High performing organic semiconducting polymers show great potentials for use in electronic devices which is greatly dependent on the material crystallinity and packing. A series of short oligomers of the diketopyrrolopyrrole (DPP)-based materials that have shown to have high charge mobility are studied to understand the local structuring at atomic level for these materials. The simulations show that the tendency for this material class to form aggregates is driven by the interaction between DPP fragments, but this is modulated by the other conjugated fragments of the materials which afect the rigidity of the polymer and the ability to form aggregates of larger size.<br>

Designing transition metal and nitrogen-codoped SrTiO3(001) perovskite surfaces as efficient photocatalysts for water splitting

2017 ◽  
Vol 1 (9) ◽  
pp. 1968-1980 ◽  
Author(s):  
Yang Yang ◽  
Weijie Zheng ◽  
Daojian Cheng ◽  
Dapeng Cao
Keyword(s):  
Transition Metal ◽  
Visible Light ◽  
Water Splitting ◽  
Light Absorption ◽  
Visible Light Absorption ◽  
Charge Mobility ◽  
High Charge

Development of an efficient photocatalyst with both strong visible light absorption and high charge mobility is highly desirable but still remains a great challenge.

High Charge Mobility in Discotic Liquid-Crystalline Triindoles: Just a Core Business?

2011 ◽  
Vol 50 (32) ◽  
pp. 7399-7402 ◽  
Author(s):  
Eva M. García-Frutos ◽  
Upendra K. Pandey ◽  
Roberto Termine ◽  
Ana Omenat ◽  
Joaquín Barberá ◽  
...  
Keyword(s):  
Liquid Crystalline ◽  
Charge Mobility ◽  
High Charge ◽  
Core Business
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