Symmetry-breaking charge transfer and intersystem crossing in copper phthalocyanine thin films

Esther del Pino Rosendo, Okan Yildiz, Wojciech Pisula, Tomasz Marszalek, Paul W. M. Blom and Charusheela Ramanan

Phys. Chem. Chem. Phys., 2023, 25, 6847
DOI: 10.1039/D2CP05240G

Identification of the interchromophore interaction in the electronic absorption and circular dichroism spectra of bis-phenanthrenes

Yuchuan Xu, Xunkun Huang, Yu-Chen Wang, Yi Zhao and WanZhen Liang

Phys. Chem. Chem. Phys., 2024, 26, 6155
DOI: 10.1039/D3CP05684H

Spectroscopic analysis of vibrational coupling in multi-molecular excited states

Sebastian Hammer, Theresa Linderl, Kristofer Tvingstedt, Wolfgang Brütting and Jens Pflaum

Mater. Horiz., 2023, 10, 221
DOI: 10.1039/D2MH00829G

Photo‐induced energy and charge transfer dynamics in Y6 dimers

Qinqin Si, Man Lian and Yi Zhao

J Chinese Chemical Soc, 2023, 70, 625
DOI: 10.1002/jccs.202200288

Toward Stable Optical Emission of Molecular Quantum Emitters: Optically Pumping Isolated Zinc Phthalocyanine Molecules in an Alkane Matrix with GaN-Based LEDs

Gunilla W. Harm, Peer Kasten, Anna Stellmann, Uta Schlickum and Tobias Voss

ACS Appl. Energy Mater., 2025, 8, 6624
DOI: 10.1021/acsaem.5c00685

First-principles stochastic Schrödinger dynamics of photoinduced charge separation: Full quantum evolution in ZnPc–F8ZnPc aggregates

Shishi Feng, Qiuyue Ge, Rongkun Zhou, Zilong Zheng, WanZhen Liang and Yi Zhao

The Journal of Chemical Physics, 2025, 163
DOI: 10.1063/5.0276800

Quantum-Classical Protocol for Efficient Characterization of Absorption Lineshape and Fluorescence Quenching upon Aggregation: The Case of Zinc Phthalocyanine Dyes

Mohammad Aarabi, Daniel Aranda, Samira Gholami, Santosh Kumar Meena, Frederic Lerouge, Yann Bretonniere, Ilke Gürol, Patrice Baldeck, Stephane Parola, Fabienne Dumoulin, Javier Cerezo, Marco Garavelli, Fabrizio Santoro and Ivan Rivalta

J. Chem. Theory Comput., 2023, 19, 5938
DOI: 10.1021/acs.jctc.3c00446

Exciton dynamics in edge-on ZnPc-F8ZnPc system: Insights from quantum simulations

Qiuyue Ge, Xunkun Huang, Yuchuan Xu, Wanzhen Liang and Yi Zhao

Chinese Journal of Chemical Physics, 2025, 38, 401
DOI: 10.1063/1674-0068/cjcp2506086

Excimer formation in zinc-phthalocyanine revealed using ultrafast electron diffraction

Sebastian Hammer, Tristan L. Britt, Laurenz Kremeyer, Maximilian Rödel, David Cai, Jens Pflaum and Bradley J. Siwick

Proc. Natl. Acad. Sci. U.S.A., 2024, 121
DOI: 10.1073/pnas.2411975121

Substituent Effect on Vibrationally Resolved Absorption Spectra and Exciton Dynamics of Dipyrrolonaphthyridinedione Aggregates

Shishi Feng, Yi Zhao and WanZhen Liang

J. Phys. Chem. A, 2022, 126, 6395
DOI: 10.1021/acs.jpca.2c03907

Electronic Absorption and Circular Dichroism Spectra of One-Dimensional Bay-Substituted Chiral PDIs: Effects of Intermolecular Interactions, Vibronic Coupling, and Aggregate Size

Yuchuan Xu, Yi Zhao and WanZhen Liang

J. Phys. Chem. C, 2024, 128, 20253
DOI: 10.1021/acs.jpcc.4c05848

Electronic Couplings for Singlet Fission Processes Based on the Fragment Particle-Hole Densities

Yu-Chen Wang, Shishi Feng, Yi Kong, Xunkun Huang, WanZhen Liang and Yi Zhao

J. Chem. Theory Comput., 2023, 19, 3900
DOI: 10.1021/acs.jctc.3c00243

Comment on “A posteriori localization of many‐body excited states through simultaneous diagonalization”

Yu‐Chen Wang, Shishi Feng, WanZhen Liang and Yi Zhao

J Comput Chem, 2023, 44, 2158
DOI: 10.1002/jcc.27188