4.6 Article

De Novo Calculation of the Charge Carrier Mobility in Amorphous Small Molecule Organic Semiconductors

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Physical

De Novo Simulation of Charge Transport through Organic Single-Carrier Devices

Simon Kaiser et al.

Summary: In amorphous organic semiconductor devices, the performance is dependent on both the material and device configuration. By calculating device characteristics from first principles, the effort of synthesizing molecules and fabricating devices can be greatly reduced. This approach of generating a digital twin of the entire device can be extended to multilayer stacks, enabling computer-designed materials and devices for systematic improvement of OLED devices.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2021)

Article Chemistry, Physical

Intrinsic Static/Dynamic Energetic Disorders of Amorphous Organic Semiconductors: Microscopic Simulations and Device Study

G. Aydin et al.

Summary: The study found that static and dynamic disorders play significant roles in charge transport in organic semiconductors, with static disorder being a key factor controlling carrier mobility and current density. Reduction of static disorder leads to decreased overall disorder, which is crucial for rational optimization of organic semiconductor devices.

JOURNAL OF PHYSICAL CHEMISTRY C (2021)

Article Chemistry, Physical

Computing Charging and Polarization Energies of Small Organic Molecules Embedded into Amorphous Materials with Quantum Accuracy

Jonas Armleder et al.

Summary: The ionization potential and electron affinity of organic molecules play a crucial role in organic electronic devices, but accurate predictions become challenging when molecules are embedded in an organic matrix. A revised quantum embedding method has been developed to accurately predict properties of organic semiconductors and pave the way for reliable virtual screening.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2021)

Review Chemistry, Multidisciplinary

Surface hopping methods for nonadiabatic dynamics in extended systems

Linjun Wang et al.

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2020)

Article Multidisciplinary Sciences

Multiscale Simulation of Photoluminescence Quenching in Phosphorescent OLED Materials

Franz Symalla et al.

ADVANCED THEORY AND SIMULATIONS (2020)

Article Nanoscience & Nanotechnology

Built-In Potentials Induced by Molecular Order in Amorphous Organic Thin Films

Pascal Friederich et al.

ACS APPLIED MATERIALS & INTERFACES (2018)

Article Multidisciplinary Sciences

Three-terminal RGB full-color OLED pixels for ultrahigh density displays

Markus Froebel et al.

SCIENTIFIC REPORTS (2018)

Article Nanoscience & Nanotechnology

Rigorous Characterization and Predictive Modeling of Hole Transport in Amorphous Organic Semiconductors

Naresh B. Kotadiya et al.

ADVANCED ELECTRONIC MATERIALS (2018)

Article Materials Science, Multidisciplinary

Effect of Coulomb correlation on charge transport in disordered organic semiconductors

Feilong Liu et al.

PHYSICAL REVIEW B (2017)

Article Chemistry, Multidisciplinary

Rational In Silico Design of an Organic Semiconductor with Improved Electron Mobility

Pascal Friederich et al.

ADVANCED MATERIALS (2017)

Review Chemistry, Multidisciplinary

Charge Transport in Molecular Materials: An Assessment of Computational Methods

Harald Oberhofer et al.

CHEMICAL REVIEWS (2017)

Article Chemistry, Multidisciplinary

Molecular Origin of the Charge Carrier Mobility in Small Molecule Organic Semiconductors

Pascal Friederich et al.

ADVANCED FUNCTIONAL MATERIALS (2016)

Article Chemistry, Physical

Recent Progress in Surface Hopping: 2011-2015

Linjun Wang et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2016)

Article Materials Science, Multidisciplinary

Estimation of charge carrier mobility in amorphous organic materials using percolation corrected random-walk model

David R. Evans et al.

ORGANIC ELECTRONICS (2016)

Article Physics, Multidisciplinary

Charge Transport by Superexchange in Molecular Host-Guest Systems

Franz Symalla et al.

PHYSICAL REVIEW LETTERS (2016)

Article Chemistry, Multidisciplinary

Modeling of Organic Light Emitting Diodes: From Molecular to Device Properties

Pascal Kordt et al.

ADVANCED FUNCTIONAL MATERIALS (2015)

Article Chemistry, Multidisciplinary

Theoretical Study of the Molecular Ordering, Paracrystallinity, And Charge Mobilities of Oligomers in Different Crystalline Phases

Ilhan Yavuz et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2015)

Article Materials Science, Multidisciplinary

Generalized effective-medium model for the carrier mobility in amorphous organic semiconductors

Vadim Rodin et al.

PHYSICAL REVIEW B (2015)

Article Chemistry, Physical

Ab Initio Treatment of Disorder Effects in Amorphous Organic Materials: Toward Parameter Free Materials Simulation

Pascal Friederich et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2014)

Article Physics, Multidisciplinary

Universal Size-Dependent Conductance Fluctuations in Disordered Organic Semiconductors

A. Masse et al.

PHYSICAL REVIEW LETTERS (2014)

Article Materials Science, Multidisciplinary

Towards reliable charge-mobility benchmark measurements for organic semiconductors

James C. Blakesley et al.

ORGANIC ELECTRONICS (2014)

Article Chemistry, Multidisciplinary

Modeling Disordered Morphologies in Organic Semiconductors

Tobias Neumann et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2013)

Article Materials Science, Multidisciplinary

High hole mobility hole transport material for organic light-emitting devices

Dal Ho Huh et al.

SYNTHETIC METALS (2013)

Article Materials Science, Multidisciplinary

Stochastic modeling of molecular charge transport networks

Bjoern Baumeier et al.

PHYSICAL REVIEW B (2012)

Article Materials Science, Multidisciplinary

Monte Carlo study of charge transport in organic sandwich-type single-carrier devices: Effects of Coulomb interactions

J. J. M. van der Holst et al.

PHYSICAL REVIEW B (2011)

Article Physics, Applied

Carrier conduction mechanism for phosphorescent material doped organic semiconductor

Seunguk Noh et al.

JOURNAL OF APPLIED PHYSICS (2009)

Article Physics, Applied

Electron mobility measurement using exciplex-type organic light-emitting diodes

Y Kawabe et al.

APPLIED PHYSICS LETTERS (2002)

Article Materials Science, Multidisciplinary

Carrier transport properties of organic materials for EL device operation

S Naka et al.

SYNTHETIC METALS (2000)