Bridged Azobenzene Enables Dynamic Control of Through-Space Charge Transfer for Photochemical Conversion

Through‐Space Charge Transfer Polynorbornenes with Fixed and Controllable Spatial Alignment of Donor and Acceptor for High‐Efficiency Blue Thermally Activated Delayed Fluorescence

(2020) Qiang Li et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Highly efficient luminescence from space-confined charge-transfer emitters

(2020) Xun Tang et al.   NATURE MATERIALS

Circularly Polarized Thermally Activated Delayed Fluorescence Emitters in Through-Space Charge Transfer on Asymmetric Spiro Skeletons

(2020) Sheng-Yi Yang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Recent Advancement and the Future of Organic Emitters: TADF- and RTP-Active Multifunctional Organic Materials

(2019) Przemyslaw Data et al.   Chemistry-An Asian Journal

CT-BODIPY with Donor-Acceptor Architecture: Red-AIE Property and Selective Interaction with BSA

(2019) Chunmei Huang et al.   ChemistrySelect

Through Space Charge Transfer for Efficient Sky‐Blue Thermally Activated Delayed Fluorescence (TADF) Emitter with Unconjugated Connection

(2019) Ya‐Kun Wang et al.   Advanced Optical Materials

Synthesis and Electroluminescent Properties of Through-Space Charge Transfer Polymers Containing Acridan Donor and Triarylboron Acceptors

(2019) Fan Chen et al.   Frontiers in Chemistry

Self-Adaptive Switch Enabling Complete Charge Separation in Molecular-Based Optoelectronic Conversion

(2018) Ziye Wu et al.   Journal of Physical Chemistry Letters

New molecular switch architectures

(2018) Jared D. Harris et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Momentum-resolved TDDFT algorithm in atomic basis for real time tracking of electronic excitation

(2018) Chao Lian et al.   JOURNAL OF CHEMICAL PHYSICS

Efficient solution-processed red organic light-emitting diode based on an electron-donating building block of pyrrolo[3,2-b]pyrrole

(2018) Yu Zhou et al.   ORGANIC ELECTRONICS

Photo-driven electron transfer from the highly reducing excited state of naphthalene diimide radical anion to a CO2 reduction catalyst within a molecular triad

(2017) Jose F. Martinez et al.   FARADAY DISCUSSIONS

New insights into mechanistic photoisomerization of ethylene-bridged azobenzene from ab initio multiple spawning simulation

(2017) Lihong Liu et al.   JOURNAL OF CHEMICAL PHYSICS

Thermally Activated Delayed Fluorescence and Aggregation Induced Emission with Through-Space Charge Transfer

(2017) Hiroyuki Tsujimoto et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Blue Thermally Activated Delayed Fluorescence Polymers with Nonconjugated Backbone and Through-Space Charge Transfer Effect

(2017) Shiyang Shao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Excited state dynamics for hybridized local and charge transfer state fluorescent emitters with aggregation-induced emission in the solid phase: a QM/MM study

(2017) Jianzhong Fan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Photo-driven electron transfer from the highly reducing excited state of naphthalene diimide radical anion to a CO2 reduction catalyst within a molecular triad

(2017) Jose F. Martinez et al.   FARADAY DISCUSSIONS

Large-scale ab initio simulations based on systematically improvable atomic basis

(2016) Pengfei Li et al.   COMPUTATIONAL MATERIALS SCIENCE

Controlling Intramolecular Conformation through Nonbonding Interaction for Soft-Conjugated Materials: Molecular Design and Optoelectronic Properties

(2016) Yuanfang Cheng et al.   Journal of Physical Chemistry Letters

“π-Hole−π” Interaction Promoted Photocatalytic Hydrodefluorination via Inner-Sphere Electron Transfer

(2016) Jingzhi Lu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Optimization algorithm for the generation of ONCV pseudopotentials

(2015) Martin Schlipf et al.   COMPUTER PHYSICS COMMUNICATIONS

Charge Transfer Pathways in Three Isomers of Naphthalene-Bridged Organic Mixed Valence Compounds

(2015) Hauke C. Schmidt et al.   JOURNAL OF ORGANIC CHEMISTRY

Effective electron displacements: A tool for time-dependent density functional theory computational spectroscopy

(2014) Ciro A. Guido et al.   JOURNAL OF CHEMICAL PHYSICS

Ultrafast charge transfer in atomically thin MoS2/WS2 heterostructures

(2014) Xiaoping Hong et al.   Nature Nanotechnology

Gating Charge Recombination Rates through Dynamic Bridges in Tetrathiafulvalene-Fullerene Architectures

(2013) Sonia Castellanos et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Photochemical and Photoelectrochemical Reduction of CO2

(2012) Bhupendra Kumar et al.   Annual Review of Physical Chemistry

The calculations of excited-state properties with Time-Dependent Density Functional Theory

(2012) Carlo Adamo et al.   CHEMICAL SOCIETY REVIEWS

Nonadiabatic ab initio molecular dynamics of photoisomerization in bridged azobenzene

(2012) Ai-Hua Gao et al.   JOURNAL OF CHEMICAL PHYSICS

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Electronic structure interpolation via atomic orbitals

(2011) Mohan Chen et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Through-Space Charge-Transfer Emitting Biphenyls Containing a Boryl and an Amino Group at theo,o′-Positions

(2011) Hong Pan et al.   ORGANIC LETTERS

Photoswitches: From Molecules to Materials

(2010) Maria-Melanie Russew et al.   ADVANCED MATERIALS

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

Superior Z → E and E → Z photoswitching dynamics of dihydrodibenzodiazocine, a bridged azobenzene, by S1(nπ*) excitation at λ = 387 and 490 nm

(2010) Ron Siewertsen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Highly Efficient ReversibleZ−EPhotoisomerization of a Bridged Azobenzene with Visible Light through Resolved S1(nπ*) Absorption Bands

(2009) Ron Siewertsen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY