Computational approaches for organic semiconductors: from chemical and physical understanding to predicting new materials
While a complete understanding of organic semiconductor (OSC) design principles remains
elusive, computational methods─ ranging from techniques based in classical and quantum …
elusive, computational methods─ ranging from techniques based in classical and quantum …
Discotic liquid crystals
T Wöhrle, I Wurzbach, J Kirres, A Kostidou… - Chemical …, 2016 - ACS Publications
Today where everybody is using a large variety of electronic devices such as notebook and
tablet computers, smart phones, digital cameras, MP3 players, flat panel TVs, as well as …
tablet computers, smart phones, digital cameras, MP3 players, flat panel TVs, as well as …
Charge transport in molecular materials: An assessment of computational methods
The booming field of molecular electronics has fostered a surge of computational research
on electronic properties of organic molecular solids. In particular, with respect to a …
on electronic properties of organic molecular solids. In particular, with respect to a …
The significance of polarons and dynamic disorder in halide perovskites
The development of halide perovskite semiconductors led to various technological
breakthroughs in optoelectronics, in particular in the areas of photovoltaics and light-emitting …
breakthroughs in optoelectronics, in particular in the areas of photovoltaics and light-emitting …
Liquid crystals for organic thin-film transistors
H Iino, T Usui, J Hanna - Nature communications, 2015 - nature.com
Crystalline thin films of organic semiconductors are a good candidate for field effect
transistor (FET) materials in printed electronics. However, there are currently two main …
transistor (FET) materials in printed electronics. However, there are currently two main …
Molecular semiconductors for logic operations: dead‐end or bright future?
The field of organic electronics has been prolific in the last couple of years, leading to the
design and synthesis of several molecular semiconductors presenting a mobility in excess of …
design and synthesis of several molecular semiconductors presenting a mobility in excess of …
The transient localization scenario for charge transport in crystalline organic materials
Charge transport in crystalline organic semiconductors is intrinsically limited by the
presence of large thermal molecular motions, which are a direct consequence of the weak …
presence of large thermal molecular motions, which are a direct consequence of the weak …
Electronic structure and carrier mobility in graphdiyne sheet and nanoribbons: theoretical predictions
Using density functional theory coupled with Boltzmann transport equation with relaxation
time approximation, we investigate the electronic structure and predict the charge mobility …
time approximation, we investigate the electronic structure and predict the charge mobility …
Charge transport in organic semiconductors
As exemplified by this special issue of Chemical ReViews, organic electronics has emerged
as a vibrant field of research and development, spanning chemistry, physics, materials …
as a vibrant field of research and development, spanning chemistry, physics, materials …