Nuclear dynamics of singlet exciton fission in pentacene single crystals

Singlet Fission Driven by Anisotropic Vibronic Coupling in Single-Crystalline Pentacene

(2021) Gang-Hua Deng et al.   Journal of Physical Chemistry Letters

Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems

(2020) Nicolas Tancogne-Dejean et al.   JOURNAL OF CHEMICAL PHYSICS

Intermolecular vibrations mediate ultrafast singlet fission

(2020) Hong-Guang Duan et al.   Science Advances

Overlap-Driven Splitting of Triplet Pairs in Singlet Fission

(2020) Elliot J. Taffet et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Triplet Pair States in Singlet Fission

(2019) Kiyoshi Miyata et al.   CHEMICAL REVIEWS

Ultrafast Pathways of the Photoinduced Insulator–Metal Transition in a Low‐Dimensional Organic Conductor

(2019) Bart Smit et al.   ADVANCED MATERIALS

Tuning Spin Dynamics in Crystalline Tetracene

(2019) Sam L. Bayliss et al.   Journal of Physical Chemistry Letters

Anharmonic effects in the low-frequency vibrational modes of aspirin and paracetamol crystals

(2019) Nathaniel Raimbault et al.   PHYSICAL REVIEW MATERIALS

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

(2019) Guillaume Schweicher et al.   ADVANCED MATERIALS

A molecular movie of ultrafast singlet fission

(2019) Christoph Schnedermann et al.   Nature Communications

Theoretical Modeling of Singlet Fission

(2018) David Casanova   CHEMICAL REVIEWS

Femtosecond stimulated Raman evidence for charge-transfer character in pentacene singlet fission

(2018) Stephanie M. Hart et al.   Chemical Science

Simulating Energy Relaxation in Pump–Probe Vibrational Spectroscopy of Hydrogen-Bonded Liquids

(2017) Riccardo Dettori et al.   Journal of Chemical Theory and Computation

Triplet Separation Drives Singlet Fission after Femtosecond Correlated Triplet Pair Production in Rubrene

(2017) Ilana Breen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Coherent singlet fission activated by symmetry breaking

(2017) Kiyoshi Miyata et al.   Nature Chemistry

Observation of Two Triplet-Pair Intermediates in Singlet Exciton Fission

(2016) Ryan D. Pensack et al.   Journal of Physical Chemistry Letters

Strongly exchange-coupled triplet pairs in an organic semiconductor

(2016) Leah R. Weiss et al.   Nature Physics

Polarized Absorption in Crystalline Pentacene: Theory vs Experiment

(2015) N. J. Hestand et al.   Journal of Physical Chemistry C

Real-time observation of multiexcitonic states in ultrafast singlet fission using coherent 2D electronic spectroscopy

(2015) Artem A. Bakulin et al.   Nature Chemistry

Dynamics of the Excitonic Coupling in Organic Crystals

(2015) Juan Aragó et al.   PHYSICAL REVIEW LETTERS

Direct observation of collective modes coupled to molecular orbital-driven charge transfer

(2015) T. Ishikawa et al.   SCIENCE

First principles phonon calculations in materials science

(2015) Atsushi Togo et al.   SCRIPTA MATERIALIA

Molecular Packing Determines Singlet Exciton Fission in Organic Semiconductors

(2014) Kolja Kolata et al.   ACS Nano

Microscopic theory of singlet exciton fission. III. Crystalline pentacene

(2014) Timothy C. Berkelbach et al.   JOURNAL OF CHEMICAL PHYSICS

Ultrafast dynamics of excitons in tetracene single crystals

(2014) Zephania Birech et al.   JOURNAL OF CHEMICAL PHYSICS

Recent Advances in Singlet Fission

(2013) Millicent B. Smith et al.   Annual Review of Physical Chemistry

Low-Energy Charge-Transfer Excitons in Organic Solids from First-Principles: The Case of Pentacene

(2013) Sahar Sharifzadeh et al.   Journal of Physical Chemistry Letters

Virtual diffraction analysis of Ni [0 1 0] symmetric tilt grain boundaries

(2013) S P Coleman et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Mapping molecular motions leading to charge delocalization with ultrabright electrons

(2013) Meng Gao et al.   NATURE

Measurement of molecular motion in organic semiconductors by thermal diffuse electron scattering

(2013) Alexander S. Eggeman et al.   NATURE MATERIALS

External Quantum Efficiency Above 100% in a Singlet-Exciton-Fission-Based Organic Photovoltaic Cell

(2013) D. N. Congreve et al.   SCIENCE

Excitons in molecular crystals from first-principles many-body perturbation theory: Picene versus pentacene

(2012) Pierluigi Cudazzo et al.   PHYSICAL REVIEW B

The nature of singlet excitons in oligoacene molecular crystals

(2011) H. Yamagata et al.   JOURNAL OF CHEMICAL PHYSICS

Ultrafast Dynamics of Exciton Fission in Polycrystalline Pentacene

(2011) Mark W. B. Wilson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Observing the Multiexciton State in Singlet Fission and Ensuing Ultrafast Multielectron Transfer

(2011) W.-L. Chan et al.   SCIENCE

Singlet Fission

(2010) Millicent B. Smith et al.   CHEMICAL REVIEWS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Electron-Phonon Coupling in Crystalline Pentacene Films

(2010) Richard C. Hatch et al.   PHYSICAL REVIEW LETTERS

Ab initio molecular simulations with numeric atom-centered orbitals

(2009) Volker Blum et al.   COMPUTER PHYSICS COMMUNICATIONS

The role of polymorphism in organic thin films: oligoacenes investigated from first principles

(2009) Claudia Ambrosch-Draxl et al.   NEW JOURNAL OF PHYSICS

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

(2009) Alexandre Tkatchenko et al.   PHYSICAL REVIEW LETTERS

Heat Capacities of Tetracene and Pentacene

(2008) Michal Fulem et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Kramers-Kronig-consistent optical functions of anisotropic crystals: generalized spectroscopic ellipsometry on pentacene

(2008) M. Dressel et al.   OPTICS EXPRESS