Haitao Sun
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Reliable prediction with tuned range-separated functionals of the singlet–triplet gap in organic emitters for thermally activated delayed fluorescence
H Sun, C Zhong, JL Bredas
Journal of Chemical Theory and Computation 11 (8), 3851-3858, 2015
Rational design of molecular fluorophores for biological imaging in the NIR‐II window
Q Yang, Z Ma, H Wang, B Zhou, S Zhu, Y Zhong, J Wang, H Wan, ...
Advanced Materials 29 (12), 1605497, 2017
Donor Engineering for NIR-II Molecular Fluorophores with Enhanced Fluorescent Performance
Q Yang, Z Hu, S Zhu, R Ma, H Ma, Z Ma, H Wan, T Zhu, Z Jiang, W Liu, ...
Journal of the American Chemical Society 140 (5), 1715–1724, 2018
Repurposing Cyanine NIR‐I Dyes Accelerates Clinical Translation of Near‐Infrared‐II (NIR‐II) Bioimaging
S Zhu, Z Hu, R Tian, BC Yung, Q Yang, S Zhao, DO Kiesewetter, G Niu, ...
Advanced Materials, 1802546, 2018
Electronic energy gaps for π-conjugated oligomers and polymers calculated with density functional theory
H Sun, J Autschbach
Journal of Chemical Theory and Computation 10 (3), 1035-1047, 2014
Influence of the delocalization error and applicability of optimal functional tuning in density functional calculations of nonlinear optical properties of organic donor …
H Sun, J Autschbach
ChemPhysChem 14 (11), 2450-2461, 2013
Ionization Energies, Electron Affinities, and Polarization Energies of Organic Molecular Crystals: Quantitative Estimations from a Polarizable Continuum Model (PCM)–Tuned Range …
H Sun, S Ryno, C Zhong, M Ravva, Z Sun, T Körzdörfer, JL Bredas
Journal of Chemical Theory and Computation 12 (6), 2906–2916, 2016
Albumin-chaperoned cyanine dye yields superbright NIR-II fluorophore with enhanced pharmacokinetics
R Tian, Q Zeng, S Zhu, J Lau, S Chandra, R Ertsey, KS Hettie, ...
Science advances 5 (9), eaaw0672, 2019
Impact of Dielectric Constant on the Singlet-Triplet Gap in Thermally Activated Delayed Fluorescence Materials
H Sun, Z Hu, C Zhong, X Chen, Z Sun, JL Brédas
The Journal of Physical Chemistry Letters 8 (11), 2393-2398, 2017
Rational design of a super-contrast NIR-II fluorophore affords high-performance NIR-II molecular imaging guided microsurgery
R Tian, H Ma, Q Yang, H Wan, S Zhu, S Chandra, H Sun, DO Kiesewetter, ...
Chemical science 10 (1), 326-332, 2019
Charge-transfer versus charge-transfer-like excitations revisited
B Moore, H Sun, N Govind, K Kowalski, J Autschbach
Journal of Chemical Theory and Computation 11 (7), 3305-3320, 2015
Developing a Bright NIR‐II Fluorophore with Fast Renal Excretion and its Application in Molecular Imaging of Immune Checkpoint PD‐L1
H Wan, H Ma, S Zhu, FF Wang, Y Tian, R Ma, Q Yang, Z Hu, T Zhu, ...
Advanced functional materials 28 (50), 1804956, 2018
Construction of supramolecular liquid-crystalline metallacycles for holographic storage of colored images
YX Hu, X Hao, L Xu, X Xie, B Xiong, Z Hu, H Sun, GQ Yin, X Li, H Peng, ...
Journal of the American Chemical Society 142 (13), 6285-6294, 2020
Conformational relaxation and thermally activated delayed fluorescence in anthraquinone-based intramolecular charge-transfer compound
Z Kuang, G He, H Song, X Wang, Z Hu, H Sun, Y Wan, Q Guo, A Xia
The Journal of Physical Chemistry C 122 (7), 3727-3737, 2018
The Density of States and the Transport Effective Mass in a Highly Oriented Semiconducting Polymer: Electronic Delocalization in 1D
BBY Hsu, CM Cheng, C Luo, SN Patel, C Zhong, H Sun, J Sherman, ...
Advanced Materials 27 (47), 7759–7765, 2015
Quantitative Estimation of Exciton Binding Energy of Polythiophene-Derived Polymers Using Polarizable Continuum Model Tuned Range-Separated Density Functional
H Sun, Z Hu, C Zhong, S Zhang, Z Sun
The Journal of Physical Chemistry C 120 (15), 8048–8055, 2016
Propylenedioxy thiophene donor to achieve NIR-II molecular fluorophores with enhanced brightness
H Ma, C Liu, Z Hu, P Yu, X Zhu, R Ma, Z Sun, CH Zhang, H Sun, S Zhu, ...
Chemistry of Materials 32 (5), 2061-2069, 2020
Thieno[3,4-c]pyrrole-4,6(5H)-dione Polymers with Optimized Energy Level Alignments for Fused-Ring Electron Acceptor Based Polymer Solar Cells
F Lin, W Huang, H Sun, J Xin, H Zeng, T Yang, M Li, X Zhang, W Ma, ...
Chemistry of Materials 29 (13), 5636–5645, 2017
Orthogonal Self-Assembly of a Two-Step Fluorescence-Resonance Energy Transfer System with Improved Photosensitization Efficiency and Photooxidation Activity
PP Jia, L Xu, YX Hu, WJ Li, XQ Wang, QH Ling, X Shi, GQ Yin, X Li, H Sun, ...
Journal of the American Chemical Society 143 (1), 399-408, 2020
Theoretical predication for transition energies of thermally activated delayed fluorescence molecules
XH Tian, HT Sun, QS Zhang, C Adachi
Chinese Chemical Letters 27 (8), 1425-1452, 2016
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