Practical Computation of the Charge Mobility in Molecular Semiconductors Using Transient Localization Theory
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February 2019 |
Generalized Gradient Approximation Made Simple
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October 1996 |
Temperature dependence of thermal motion in crystalline naphthalene
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August 1982 |
Organic Solar Cells: A Review of Materials, Limitations, and Possibilities for Improvement
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September 2013 |
On the Largest Possible Mobility of Molecular Semiconductors and How to Achieve It
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June 2020 |
Prospects for LED lighting
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April 2009 |
Universality of the Mott–Ioffe–Regel limit in metals
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September 2004 |
Maximally localized Wannier functions: Theory and applications
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October 2012 |
Charge transport in high-mobility conjugated polymers and molecular semiconductors
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April 2020 |
The Transient Localization Scenario for Charge Transport in Crystalline Organic Materials
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January 2016 |
Transient localization in crystalline organic semiconductors
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February 2011 |
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
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September 2009 |
wannier90: A tool for obtaining maximally-localised Wannier functions
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May 2008 |
First-principles dynamics of electrons and phonons*
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journal
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November 2016 |
Electrons and Phonons
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book
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January 2001 |
Mobility of Holstein Polaron at Finite Temperature: An Unbiased Approach
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journal
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April 2015 |
Band gap renormalization, carrier mobilities, and the electron-phonon self-energy in crystalline naphthalene
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April 2020 |
Observation of the Band-Hopping Transition for Electrons in Naphthalene
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January 1978 |
Organic Photovoltaics over Three Decades
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June 2018 |
Semiconductors for organic transistors
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March 2007 |
Multiscale study of charge mobility of organic semiconductor with dynamic disorders
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January 2010 |
Crystallography Open Database – an open-access collection of crystal structures
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May 2009 |
Spin routes in organic semiconductors
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August 2009 |
Theory of charge transport in organic crystals: Beyond Holstein’s small-polaron model
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June 2009 |
Crystallography Open Database (COD): an open-access collection of crystal structures and platform for world-wide collaboration
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November 2011 |
Studies of polaron motion
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November 1959 |
Charge transport in organic crystals: interplay of band transport, hopping and electron–phonon scattering
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February 2010 |
Charge Transport in Molecular Materials: An Assessment of Computational Methods
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June 2017 |
Perturbo: A software package for ab initio electron–phonon interactions, charge transport and ultrafast dynamics
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July 2021 |
Efficient pseudopotentials for plane-wave calculations
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January 1991 |
Chemical and Electrochemical Electron-Transfer Theory
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October 1964 |
The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table
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May 2018 |
Organic Superconductors: When Correlations and Magnetism Walk in
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March 2012 |
Phonons and related crystal properties from density-functional perturbation theory
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July 2001 |
Roles of inter- and intramolecular vibrations and band-hopping crossover in the charge transport in naphthalene crystal
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July 2007 |
Role and effective treatment of dispersive forces in materials: Polyethylene and graphite crystals as test cases
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April 2009 |
Theory of polaron bandwidth narrowing in organic molecular crystals
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February 2004 |
Recent Progress on Organic Electrodes Materials for Rechargeable Batteries and Supercapacitors
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May 2019 |
New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas Problem
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August 1965 |
Wannier90 as a community code: new features and applications
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January 2020 |
A map of high-mobility molecular semiconductors
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September 2017 |
The GW method
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March 1998 |
Organic ferroelectrics
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May 2008 |
Building better batteries
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February 2008 |
The future of organic photovoltaics
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January 2015 |
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
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January 2006 |
Cumulant expansion of the retarded one-electron Green function
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August 2014 |
Charge-Transport Regime of Crystalline Organic Semiconductors: Diffusion Limited by Thermal Off-Diagonal Electronic Disorder
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March 2006 |
Organic- and molecule-based magnets
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journal
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June 2014 |
Band-hopping mobility transition in naphthalene and deuterated naphthalene
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journal
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August 1979 |
Charge transport in high mobility molecular semiconductors: classical models and new theories
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journal
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January 2011 |
Many-Particle Physics
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book
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January 2000 |
Flexible Surface Hopping Approach to Model the Crossover from Hopping to Band-like Transport in Organic Crystals
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journal
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May 2013 |
Advanced capabilities for materials modelling with Quantum ESPRESSO
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journal
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October 2017 |
yambo: An ab initio tool for excited state calculations
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journal
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August 2009 |
Quasiparticles and phonon satellites in spectral functions of semiconductors and insulators: Cumulants applied to the full first-principles theory and the Fröhlich polaron
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March 2018 |