Eliminating nonradiative decay in Cu(I) emitters: >99% quantum efficiency and microsecond lifetime

Spin-Vibronic Mechanism for Intersystem Crossing

(2018) Thomas J. Penfold et al.   CHEMICAL REVIEWS

Recent advances in copper complexes for electrical/light energy conversion

(2018) Yurong Liu et al.   COORDINATION CHEMISTRY REVIEWS

The intersystem crossing of a cyclic (alkyl)(amino) carbene gold (i) complex

(2018) S. Thompson et al.   JOURNAL OF CHEMICAL PHYSICS

Carbene–Metal–Amide Bond Deformation, Rather Than Ligand Rotation, Drives Delayed Fluorescence

(2018) Elliot J. Taffet et al.   Journal of Physical Chemistry Letters

Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes

(2018) Max M. Hansmann et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Rotationally Assisted Spin-State Inversion in Carbene–Metal–Amides Is an Artifact

(2017) Jelena Föller et al.   Journal of Physical Chemistry Letters

Up-Conversion Intersystem Crossing Rates in Organic Emitters for Thermally Activated Delayed Fluorescence: Impact of the Nature of Singlet vs Triplet Excited States

(2017) Pralok K. Samanta et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

High-performance light-emitting diodes based on carbene-metal-amides

(2017) Dawei Di et al.   SCIENCE

Highly photoluminescent copper carbene complexes based on prompt rather than delayed fluorescence

(2016) Alexander S. Romanov et al.   CHEMICAL COMMUNICATIONS

Clarifying the mechanism of triplet–triplet annihilation in phosphorescent organic host–guest systems: A combined experimental and simulation study

(2016) L. Zhang et al.   CHEMICAL PHYSICS LETTERS

Cu(I) complexes – Thermally activated delayed fluorescence. Photophysical approach and material design

(2016) Rafał Czerwieniec et al.   COORDINATION CHEMISTRY REVIEWS

Highly Efficient Cuprous Complexes with Thermally Activated Delayed Fluorescence for Solution-Processed Organic Light-Emitting Devices

(2016) Dong Liang et al.   INORGANIC CHEMISTRY

Engineering the singlet–triplet energy splitting in a TADF molecule

(2016) Paloma L. Santos et al.   Journal of Materials Chemistry C

Direct observation of intersystem crossing in a thermally activated delayed fluorescence copper complex in the solid state

(2016) L. Bergmann et al.   Science Advances

Air-Stable (CAAC)CuCl and (CAAC)CuBH4 Complexes as Catalysts for the Hydrolytic Dehydrogenation of BH3 NH3

(2015) Xingbang Hu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Intersystem-crossing and phosphorescence rates in fac-IrIII(ppy)3: A theoretical study involving multi-reference configuration interaction wavefunctions

(2015) Martin Kleinschmidt et al.   JOURNAL OF CHEMICAL PHYSICS

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

(2014) Yihan Shao et al.   MOLECULAR PHYSICS

31P NMR Chemical Shifts of Carbene-Phosphinidene Adducts as an Indicator of the π-Accepting Properties of Carbenes

(2013) Olivier Back et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Rational Design of Strongly Blue-Emitting Cuprous Complexes with Thermally Activated Delayed Fluorescence and Application in Solution-Processed OLEDs

(2013) Xu-Lin Chen et al.   CHEMISTRY OF MATERIALS

Molecular Construction Kit for Tuning Solubility, Stability and Luminescence Properties: Heteroleptic MePyrPHOS-Copper Iodide-Complexes and their Application in Organic Light-Emitting Diodes

(2013) Daniel Volz et al.   CHEMISTRY OF MATERIALS

Design of a Long-Lifetime, Earth-Abundant, Aqueous Compatible Cu(I) Photosensitizer Using Cooperative Steric Effects

(2013) Catherine E. McCusker et al.   INORGANIC CHEMISTRY

Density-Dependent Onset of the Long-Range Exchange: A Key to Donor–Acceptor Properties

(2013) Marcin Modrzejewski et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Long-range correction for density functional theory

(2013) Takao Tsuneda et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Application of neutral d10 coinage metal complexes with an anionic bidentate ligand in delayed fluorescence-type organic light-emitting diodes

(2013) Masahisa Osawa et al.   Journal of Materials Chemistry C

Highly efficient organic light-emitting diodes from delayed fluorescence

(2012) Hiroki Uoyama et al.   NATURE

Relativistic effects in spectroscopy and photophysics of heavy-metal complexes illustrated by spin–orbit calculations of [Re(imidazole)(CO)3(phen)]+

(2011) Radka Baková et al.   COORDINATION CHEMISTRY REVIEWS

The triplet state of organo-transition metal compounds. Triplet harvesting and singlet harvesting for efficient OLEDs

(2011) Hartmut Yersin et al.   COORDINATION CHEMISTRY REVIEWS

Blue-Light Emission of Cu(I) Complexes and Singlet Harvesting

(2011) Rafał Czerwieniec et al.   INORGANIC CHEMISTRY

Coherent Nuclear Dynamics in Ultrafast Photoinduced Structural Change of Bis(diimine)copper(I) Complex

(2011) Munetaka Iwamura et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Hydrogen-Bonded Cyclic Tetramers Based on Ureidopyrimidinones Attached to a 3,6-Carbazolyl Spacer

(2011) Yong Yang et al.   ORGANIC LETTERS

Design of luminescent iridium(III) and rhenium(I) polypyridine complexes as in vitro and in vivo ion, molecular and biological probes

(2010) Kenneth Kam-Wing Lo et al.   COORDINATION CHEMISTRY REVIEWS

Long-range corrected double-hybrid density functionals

(2009) Jeng-Da Chai et al.   JOURNAL OF CHEMICAL PHYSICS

Extensive TD-DFT Benchmark: Singlet-Excited States of Organic Molecules

(2009) Denis Jacquemin et al.   Journal of Chemical Theory and Computation

Near-Quantitative Internal Quantum Efficiency in a Light-Emitting Electrochemical Cell

(2008) Henk J. Bolink et al.   INORGANIC CHEMISTRY

Cyclic (alkyl)(amino)carbene gold(I) complexes: A synthetic and structural investigation

(2008) Guido D. Frey et al.   JOURNAL OF ORGANOMETALLIC CHEMISTRY

Ultrafast luminescence in Ir(ppy)3

(2007) Gordon J. Hedley et al.   CHEMICAL PHYSICS LETTERS

TD-DFT Performance for the Visible Absorption Spectra of Organic Dyes:  Conventional versus Long-Range Hybrids

(2007) Denis Jacquemin et al.   Journal of Chemical Theory and Computation