Article
Chemistry, Physical
Yiwen Ji, Xinyu Mu, Hang Yin, Bin Cui, Xiaotao Hao, Kun Gao
Summary: Organic solar cells (OSCs) based on nonfullerene acceptors (NFAs) have achieved rapid development, but the role of donor/acceptor (D/A) interfaces in NFA-based heterosystems has not been fully addressed. In this study, we found that the photoinduced spontaneous charge separation efficiency in typical NFA heterosystems can reach up to 67%, while the contribution of the D/A interface to charge separation efficiency is only 25%. The D/A interface plays a more important role in reducing the charge recombination rate and optimizing the competition between radiative and nonradiative charge recombination to minimize the nonradiative voltage loss.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Physical
Zujhar Singh, Saeid Kamal, Marek B. Majewski
Summary: Dye-sensitized photoelectrochemical cells have potential for solar-to-fuel conversion. In this study, a Cu(I)-based triad consisting of a triphenylamine electron donor and a dipyrido[3,2-a:2',3'-c]phenazine electron acceptor was used as the active material for photoanodes. The energy levels of this triad were carefully aligned for efficient photoinduced electron transfer. Surface-grafting this triad onto zinc oxide nanowires demonstrated its utility for oxidative processes like alcohol oxidation with moderate yields.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Physical
Ziran Liu, Zhixing Liu, Rui Wang, Zhi-Guo Zhang, Jide Wang, Chunfeng Zhang
Summary: In this study, the effect of polar environment on excited state dynamics in OPV molecules was investigated. The findings reveal that the excited states in molecules with strong electron push-pulling effects are stabilized and undergo faster intersystem crossing processes in polar solvents. These results suggest that manipulating the polar environment and electron push-pulling effect can improve device performance.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Multidisciplinary Sciences
Shiun-Jr Yang, Eric A. Arsenault, Kaydren Orcutt, Masakazu Iwai, Yusuke Yoneda, Graham R. Fleming
Summary: This study used 2DEV spectroscopy to analyze the spinach PSII-CC, revealing details about its dynamics and energy transfer. The study found that the dominant dynamics of the PSII-CC vary in different excitation energy regions. By separating these regions and identifying the roles of key pigments, a better understanding of the working mechanism of photosystem II can be obtained.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Article
Materials Science, Ceramics
C. Shang, Z. C. Xia, H. Y. Dai, Y. Q. Wang, D. W. Liu
Summary: Experimental results indicate that nonmagnetic Al3+ substitution of Mn suppresses the ferromagnetic phase and induces a charge ordered antiferromagnetic phase. The coexistence and competition of these two interactions lead to a spin-glass like state in the system. Hysteresis is observed in both magnetization and resistivity versus temperature and magnetic field curves, suggesting an inhomogeneous metastable phase transition. The applied magnetic field causes an irreversible metamagnetic transition from the charge ordering antiferromagnetic insulating to ferromagnetic metallic phase. Phase diagram in the HC-T plane is determined based on magnetization and magnetoelectric transport measurements. The magnetic disorders and antiferromagnetic matrix produced by Al3+ dopants play a crucial role in pinning the ferromagnetic phase.
CERAMICS INTERNATIONAL
(2023)
Article
Chemistry, Multidisciplinary
Sairam Dnyaneshwar Veer, Vivek Chandrakant Wakchaure, Kiran Asokan, Ruchi Dixit, Tanmay Goswami, Ramchandra Saha, Rajesh Gonnade, Hirendra N. Ghosh, Sukumaran Santhosh Babu
Summary: Aesthetic designs from nature inspire scientific models and enable new knowledge. The advantageous positioning of structural units in multicomponent macrocycles allows for efficient communication. However, the construction of a functionalizable macrocycle for ultrafast charge separation and stabilization has not been attempted. In this study, a new functionalizable macrocycle was synthesized and its charge separation and stabilization capabilities were observed. The design of our macrocycle, with a supportive spatial arrangement of donor and acceptor units, will inspire the development of more complex synthetic systems with exciting electron-transfer and charge-separation features.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Multidisciplinary
Kevan Perez de Carvasal, Nesrine Aissaoui, Gerard Vergoten, Gaetan Bellot, Jean-Jacques Vasseur, Michael Smietana, Francois Morvan
Summary: Inspired by the automated synthesis of DNA on a solid support, amphiphilic foldamers were synthesized from DAN and NDI building blocks, forming regular supramolecular nanotubes in water through donor/acceptor interactions and the solvophobic effect.
CHEMICAL COMMUNICATIONS
(2021)
Article
Chemistry, Multidisciplinary
Daniil A. Lukyanov, Anatoliy A. Vereshchagin, Vladimir V. Sizov, Arseniy Y. Kalnin, Julia Novoselova, Elena Alekseeva, Oleg Levin
Summary: This study reports unexpectedly high stability of a nickel complex with a thiophene-based salen ligand, and proposes a rationale for this stability based on electrochemical and spectroscopic studies supported by quantum chemical calculations. The introduction of the thiophene core results in depletion of spin density on the peripheral carbon atoms of the oxidized complex, leading to a highly stable metal-centered oxidized state through intramolecular intervalence tautomerisation of the ligand-centered radical cation.
NEW JOURNAL OF CHEMISTRY
(2021)
Article
Chemistry, Inorganic & Nuclear
Stephen Sproules
Summary: Spectroscopic and computational examination reveals a Class III mixed-valent ground state for the neutral tris-dioxolene complex [V(dbcat)(3)]. The radical is stabilized by delocalization across the ligands mediated by the V(v) center's energy matched d orbital manifold. This electronic structure differs from the tris-dithiolene and tris-diimine analogues with V(iv) and V(ii) ions, respectively.
DALTON TRANSACTIONS
(2022)
Article
Chemistry, Multidisciplinary
John A. Clark, Damian Kusy, Olena Vakuliuk, Maciej Krzeszewski, Krzysztof J. Kochanowski, Beata Koszarna, Omar O'Mari, Denis Jacquemin, Daniel T. Gryko, Valentine I. Vullev
Summary: This study investigates the effects of electronic coupling through biaryl linkers on the excited-state symmetry breaking of hybrid dyes. It is found that strengthening the donor-acceptor electronic coupling decreases the charge transfer rates and the propensity for symmetry breaking. In cases of intermediate electronic coupling, the dyes exhibit white fluorescence.
Article
Chemistry, Applied
Heng Wu, Gang Wang, Li-jiao Ma, Jia-Bin Shi, Ding Zhang, Bing-Xin Lei
Summary: Continuous exploration on durable solar cells with cobalt redox electrolyte under thermal and light dual stress is crucial for practical applications. In this study, coplanar aromatic polycycles were designed and decorated with electron-donor and electron-acceptor groups to prepare four different donor-acceptor organic dyes. The results showed that the dyes with benzoic acid as the electron-acceptor exhibited efficient charge-separation yields and superior retention rates under high temperature and sunlight exposure.
Article
Chemistry, Multidisciplinary
Sai Shruthi Murali, Joseph K. Gallaher, Celine Janiseck, Elliot J. Tay, Isabella Wagner, Karen E. Thorn, Aleksandra Ilina, Ronnie R. Tamming, Jiayu Wang, Clement Sester, Joshua J. Sutton, Michael B. Price, Keith C. Gordon, Kai Chen, Xiaowei Zhan, Justin M. Hodgkiss, Paul A. Hume
Summary: The control over singlet and triplet exciton populations is crucial for organic semiconductor technologies. This study investigates the rate of intersystem crossing (ISC) and demonstrates the occurrence of intramolecular triplet formation in both solution and solid state. It is found that structural distortions in disordered films lead to increased spin-orbit coupling, enabling rapid ISC. The proposal also reveals the role of rotational flexibility and conformational disorder in accelerating ISC. Overall, this work sheds light on the factors affecting ISC and provides a framework for molecular control over spin states.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Electrochemistry
Marzieh Rashidi, Foad Ghasemi
Summary: The introduction of pristine and thermally oxidized MoS2 (O@MoS2) based hybrids enhances capacitive performance, making it suitable for various electrochemical applications with significant improvements in energy storage capacity.
ELECTROCHIMICA ACTA
(2022)
Article
Chemistry, Multidisciplinary
Matteo Capone, Abhishek Sirohiwal, Massimiliano Aschi, Dimitrios A. Pantazis, Isabella Daidone
Summary: Photosystem-II (PSII) is a multi-subunit protein complex that performs oxygenic photosynthesis by harvesting sunlight. Studying the processes following light excitation has been challenging due to spectral congestion, ultrafast nature, and multi-component behavior. Using advanced computational multiscale approaches, researchers have identified two possible primary pathways to radical-pair formation, with significantly different kinetics. The dominant pathway is fast (short-range), but the existence of a slower (long-range) alternative pathway suggests the evolution of redundancy for other purposes related to the formation of oxidative species in PSII that drives water oxidation.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Polymer Science
Fatima Hameed, Manikandan Mohanan, Nafisa Ibrahim, Charles Ochonma, Joaquin Rodriguez-Lopez, Nagarjuna Gavvalapalli
Summary: Controlling the interaction between pi-conjugated polymer and acceptor complex is crucial in organic electronics and energy applications. Strapped pi-conjugated polymers are effective in controlling the interactions of the polymer backbone with other chains and small molecules. By synthesizing a series of copolymers containing both strapped and nonstrapped comonomers, the interactions between the polymer and acceptor can be controlled. The presence of straps leads to higher photoinduced photoluminescence quenching and improved electron transfer efficiency.
Article
Plant Sciences
Ivo H. M. van Stokkum, Michal Gwizdala, Lijin Tian, Joris J. Snellenburg, Rienk van Grondelle, Herbert van Amerongen, Rudi Berera
PHOTOSYNTHESIS RESEARCH
(2018)
Article
Plant Sciences
Alonso M. Acuna, Claire Lemaire, Rienk van Grondelle, Bruno Robert, Ivo H. M. van Stokkum
PHOTOSYNTHESIS RESEARCH
(2018)
Article
Plant Sciences
Lucyna M. Wlodarczyk, Joris J. Snellenburg, Jan P. Dekker, Ivo H. M. Stokkum
PHOTOSYNTHESIS RESEARCH
(2018)
Article
Plant Sciences
Alonso M. Acuna, Pascal van Alphen, Filipe Branco dos Santos, Rienk van Grondelle, Klaas J. Hellingwerf, Ivo H. M. van Stokkum
PHOTOSYNTHESIS RESEARCH
(2018)
Article
Multidisciplinary Sciences
Lijin Tian, Wojciech J. Nawrocki, Xin Liu, Iryna Polukhina, Ivo H. M. van Stokkum, Roberta Croce
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2019)
Article
Plant Sciences
Avratanu Biswas, Xinpeng Huang, Petar H. Lambrev, Ivo H. M. van Stokkum
PHOTOSYNTHESIS RESEARCH
(2020)
Article
Chemistry, Multidisciplinary
Juan M. Artes Vivancos, Ivo H. M. Van Stokkum, Francesco Saccon, Yusaku Hontani, Miroslav Kloz, Alexander Ruban, Rienk van Grondelle, John T. M. Kennis
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2020)
Article
Multidisciplinary Sciences
Patrick E. Konold, Enis Arik, Jorn Weissenborn, Jos C. Arents, Klaas J. Hellingwerf, Ivo H. M. van Stokkum, John T. M. Kennis, Marie Louise Groot
NATURE COMMUNICATIONS
(2020)
Article
Chemistry, Physical
Ivo H. M. van Stokkum, Chanelle C. Jumper, Tia S. Lee, Mykhaylo Myahkostupov, Felix N. Castellano, Gregory D. Scholes
JOURNAL OF CHEMICAL PHYSICS
(2020)
Article
Chemistry, Physical
Ivo H. M. van Stokkum, Miroslav Kloz, Dario Polli, Daniele Viola, Jorn Weissenborn, Ebo Peerbooms, Giulio Cerullo, John T. M. Kennis
Summary: A new methodology is presented to fully describe the time evolution of electronically and vibrationally excited states detected by ultrafast transient absorption in various systems. By global fit of experimental data, important vibrational frequencies in molecular systems are revealed. The enhanced method provides a balanced approach between theoretical description and fit of experimental data, aiding in the interpretation of molecular dynamics.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Nanoscience & Nanotechnology
Simon Christian Boehme, Nadine Tchamba Yimga, Achidi Frick, Susann Gunst, Harald Untenecker, John T. M. Kennis, Ivo H. M. van Stokkum, Peer Kirsch, Elizabeth von Hauff
Summary: The chemical structure at the molecular scale does not influence the molecular frontier orbitals or ultrafast dynamics of the FFPTB backbone, but does result in differences in structural and electrical properties of the FFPTB films at the macroscale. The altered location of the fluorine substitution allows for control of the electrostatic potential along the molecular backbone, impacting molecular interactions and achieving ambipolar transport in FFPTB films.
ADVANCED ELECTRONIC MATERIALS
(2021)
Article
Chemistry, Physical
Ivo H. M. van Stokkum, Yusaku Hontani, Johannes Vierock, Benjamin S. Krause, Peter Hegemann, John T. M. Kennis
Summary: In this study, the reaction dynamics of Chrimson channelrhodopsin were analyzed from femtoseconds to seconds. Multiple phases in the decay of excited state were identified, and early dynamics of K-like species on a 10 ps time scale were observed. Selective excitation at different wavelengths resulted in distinct spectral features, which gradually became indistinguishable over time. Protein motions underlying inhomogeneous broadening were resolved, demonstrating a dynamic interconversion between protein substates.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Biochemistry & Molecular Biology
Ivo H. M. van Stokkum, Jorn Weissenborn, Sebastian Weigand, Joris J. J. Snellenburg
Summary: This article introduces a Python framework for global and target analysis of time-resolved spectra, demonstrating its ability to resolve vibrational wavepackets and associated spectra and phases. The framework has reliability and usability, making it an important tool for understanding complex molecular systems.
PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES
(2023)
Article
Multidisciplinary Sciences
Ivo H. M. Van Stokkum, Marc G. Mueller, Jorn Weissenborn, Sebastian Weigand, Joris J. Snellenburg, Alfred R. Hozwarth
Summary: This study establishes a general kinetic scheme for energy transfer and trapping in cyanobacterial PSI under different light conditions. The results show that the presence of Chl f compartments in PSI under far-red light conditions leads to a decrease in charge separation rate and delayed trapping.
Article
Biochemistry & Molecular Biology
Joris J. Snellenburg, Matthew P. Johnson, Alexander V. Ruban, Rienk van Grondelle, Ivo H. M. van Stokkum
BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS
(2017)