scholarly journals Chasing the “Killer” Phonon Mode for the Rational Design of Low‐Disorder, High‐Mobility Molecular Semiconductors

2019 ◽  
Vol 31 (43) ◽  
pp. 1902407 ◽  
Author(s):  
Guillaume Schweicher ◽  
Gabriele D'Avino ◽  
Michael T. Ruggiero ◽  
David J. Harkin ◽  
Katharina Broch ◽  
...  
Keyword(s):  
Rational Design ◽  
Phonon Mode ◽  
High Mobility ◽  
Molecular Semiconductors

A map of high-mobility molecular semiconductors

2017 ◽  
Vol 16 (10) ◽  
pp. 998-1002 ◽  
Author(s):  
S. Fratini ◽  
S. Ciuchi ◽  
D. Mayou ◽  
G. Trambly de Laissardière ◽  
A. Troisi
Keyword(s):  
High Mobility ◽  
Molecular Semiconductors

scholarly journals Stacking-engineered ferroelectricity in bilayer boron nitride

Science ◽  
2021 ◽  
pp. eabd3230
Author(s):  
Kenji Yasuda ◽  
Xirui Wang ◽  
Kenji Watanabe ◽  
Takashi Taniguchi ◽  
Pablo Jarillo-Herrero
Keyword(s):  
Boron Nitride ◽  
Nonvolatile Memory ◽  
Rational Design ◽  
Parent Compound ◽  
High Mobility ◽  
Building Blocks ◽  
Electric Polarization ◽  
Experimental Realization ◽  
Polar Crystal ◽  
Memory Applications

2D ferroelectrics with robust polarization down to atomic thicknesses provide building blocks for functional heterostructures. Experimental realization remains challenging because of the requirement of a layered polar crystal. Here, we demonstrate a rational design approach to engineering 2D ferroelectrics from a non-ferroelectric parent compound via employing van der Waals assembly. Parallel-stacked bilayer boron nitride exhibits out-of-plane electric polarization that reverses depending on the stacking order. The polarization switching is probed via the resistance of an adjacently stacked graphene sheet. Twisting the boron nitride sheets by a small angle changes the dynamics of switching thanks to the formation of moiré ferroelectricity with staggered polarization. The ferroelectricity persists to room temperature while keeping the high mobility of graphene, paving the way for potential ultrathin nonvolatile memory applications.

Rational Design of High-Mobility Semicrystalline Conjugated Polymers with Tunable Charge Polarity: Beyond Benzobisthiadiazole-Based Polymers

2016 ◽  
Vol 27 (2) ◽  
pp. 1604608 ◽  
Author(s):  
Yang Wang ◽  
Tsukasa Hasegawa ◽  
Hidetoshi Matsumoto ◽  
Takehiko Mori ◽  
Tsuyoshi Michinobu
Keyword(s):  
Conjugated Polymers ◽  
Rational Design ◽  
High Mobility

scholarly journals Tuning of Molecular Electrostatic Potential Enables Efficient Charge Transport in Crystalline Azaacenes: A Computational Study

2020 ◽  
Author(s):  
Andrey Sosorev ◽  
Dmitry Dominskiy ◽  
Ivan Chernyshov ◽  
Roman Efremov
Keyword(s):  
Organic Semiconductors ◽  
Electrostatic Potential ◽  
Rational Design ◽  
Molecular Electrostatic Potential ◽  
Computational Study ◽  
High Mobility ◽  
Molecular Packing ◽  
Frontier Molecular Orbital ◽  
Charge Mobility ◽  
The Impact

Chemical versatility of organic semiconductors provides nearly unlimited opportunities for tuning their electronic properties. However, despite decades of research, relationship between molecular structure, molecular packing and charge mobility in these materials remains poorly understood. This reduces the search for high-mobility organic semiconductors to the inefficient trial-and-error approach. For clarifying the abovementioned relationship, investigations of the effect of small changes in the chemical structure on OSs properties are particularly important. In this study, we address computationally the impact of substitution of C-H atom pairs by nitrogen atoms (N-substitution) on molecular properties, molecular packing and charge mobility of crystalline oligoacenes. Besides of decreasing frontier molecular orbital levels, N-substitution dramatically alters molecular electrostatic potential yielding pronounced electron-rich and electron-deficient areas. These changes in the molecular electrostatic potential strengthen face-to-face and edge-to-edge interactions in the corresponding crystals and result in the crossover from the herringbone packing motif to π-stacking. When the electron-rich and electron-deficient areas are large, sharply defined and, probably, have certain symmetry, charge mobility increases up to 3-4 cm2V-1s-1. The results obtained highlight the potential of azaacenes for application in organic electronic devices and are expected to facilitate rational design of organic semiconductors for steady improvement of organic electronics.

Charge Transport Physics of High-Mobility Molecular Semiconductors

2013 ◽  
pp. 201-238
Author(s):  
Henning Sirringhaus ◽  
Tomo Sakanoue ◽  
Jui-Fen Chang
Keyword(s):  
Charge Transport ◽  
High Mobility ◽  
Molecular Semiconductors

scholarly journals Charge-transport physics of high-mobility molecular semiconductors

2012 ◽  
Vol 249 (9) ◽  
pp. 1655-1676 ◽  
Author(s):  
Henning Sirringhaus ◽  
Tomo Sakanoue ◽  
Jui-Fen Chang
Keyword(s):  
Charge Transport ◽  
High Mobility ◽  
Molecular Semiconductors
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