Article
Chemistry, Physical
Martin L. Kirk, David A. Shultz, Patrick Hewitt, Art van der Est
Summary: Ground-state electron spin polarization can be generated from photoexcitation, and it decays slowly at low temperatures, remaining observable for more than a millisecond.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Biochemistry & Molecular Biology
Teng Teng, Jinfan Xiong, Gang Cheng, Changjiang Zhou, Xialei Lv, Kai Li
Summary: A new series of tetrahedral heteroleptic copper(I) complexes have been developed, showing efficient thermally-activated delayed fluorescence with high PLQYs and a wide range of lifetimes. DFT calculations reveal the lowest-lying intraligand charge-transfer excited states, and OLEDs based on one of the new emitters achieved a maximum EQE of 7.96%.
Article
Chemistry, Multidisciplinary
Martin L. Kirk, David A. Shultz, Patrick Hewitt, Ju Chen, Art van der Est
Summary: Photoinduced electron spin polarization (ESP) in the ground state of luminescent materials is investigated, and the phenomenon is found to be influenced by the connecting structure and have a relatively long duration.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Chemistry, Physical
Ke Wang, Zhaoxuan Xie, Zhen Luo, Haibo Ma
Summary: The researchers have developed an automatic and efficient scheme for accurately constructing the bases for excitonic models, enabling black-box excited state structure calculations for large molecular systems. They introduced a new framework called block interaction product state (BIPS), where the bases are expressed as direct products of local states for each chromophore. Test calculations demonstrated that the BIPS framework accurately describes not only the excitation energies but also the properties of the low-lying excited states at a low computational cost.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Multidisciplinary
Christina Wegeberg, Daniel Haeussinger, Oliver S. Wenger
Summary: Introducing pyrene units into the diisocyanide ligand backbone significantly enhances the luminescence quantum yield and MLCT lifetime of a chromium(0) isocyanide complex by nearly two orders of magnitude. The enlarged pi-conjugation system in the ligand leads to a strongly delocalized MLCT state, reducing nonradiative relaxation despite a redshift of the emission wavelength. Luminescence properties of the complex exhibit a unique solvent polarity-dependent behavior, indicating two competing mechanisms for MLCT deactivation.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Multidisciplinary
Piotr Kabacinski, Pietro Marabotti, Daniele Fazzi, Vasilis Petropoulos, Andrea Iudica, Patrick Serafini, Giulio Cerullo, Carlo S. S. Casari, Margherita Zavelani-Rossi
Summary: Investigated the photophysics of one-dimensional linear nanostructures and revealed their excellent mechanical, thermal, and electronic properties. Studied the excited state relaxation processes using experimental and computational methods, providing important insights into photoinduced events in low-dimensional carbon-based materials.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
Gibu George, Olga. A. Stasyuk, Alexander A. Voityuk, Anton J. Stasyuk, Miquel Sola
Summary: The incorporation of pyrrolo[3,2-b]pyrrole units into carbon nanorings allows for modulation of their properties, due to the combined effect of heteroatom and antiaromatic character on electronic properties. Different units lead to the formation of stereoisomers. This computational study investigates how the spatial orientation of monomeric units in the ring affects the properties of cyclic dibenzopyrrolo[3,2-b]pyrroles and their complexes with C-60 fullerene.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Applied
Catia I. C. Esteves, Luis F. B. Fontes, A. Filipa N. Borges, Joao Rocha, Artur M. S. Silva, Samuel Guieu
Summary: It is discovered that 2'-aminochalcones with a strong push-pull character exhibit dual emission due to the Excited State Intramolecular Proton Transfer (ESIPT) between ketoenamine and enol-imine tautomers. The strength of hydrogen bonds is correlated with the tautomerization energy gap, depending on the electron donating or electron withdrawing group on the amine.
Article
Chemistry, Multidisciplinary
Yinjuan Ren, Zhonghui Nie, Fei Deng, Ziming Wang, Siyang Xia, Yue Wang
Summary: Experimental investigation of ultrafast dynamics in CsPbBr3@ZnS core-shell nanocrystals revealed hot hole transfer and charge transfer state formation. These results demonstrate that carrier dynamics modulation can improve the performance of perovskite nanocrystals.
Article
Chemistry, Multidisciplinary
Yuna Yan, Gang Shen, Rui Song, Kunquan Hong
Summary: In this paper, K-doped few-layer molybdenum disulfide (K-MoS2) with enhanced electrocatalytic activity is synthesized and a dual electron-path model is proposed to explain the mechanism. The K atoms act as an electron reservoir to improve the catalytic activity by providing an extra electron.
CHEMICAL COMMUNICATIONS
(2022)
Article
Chemistry, Physical
Junyi Liu, Xu Zhang, Gang Lu
Summary: In this work, the excited state dynamics in a WS2/graphene heterostructure are investigated through first-principles calculations, providing insights into the charge and energy transfer mechanisms. It is found that charge transfer is primarily driven by interlayer Auger-like processes due to strong electron-hole interactions, rather than direct interlayer excitations. The electron-phonon coupling is unable to compete with Auger processes due to phonon bottleneck. Additionally, the asymmetrical dynamics are attributed to the difference in density of states of the heterostructure.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Inorganic & Nuclear
Ricardo J. Fernandez-Teran, Laurent Severy
Summary: Six rhenium(I) kappa N-3-dicarbonyl complexes with 4'-(4-substituted phenyl)terpyridine ligands were studied in their ground and excited states, showing panchromatic absorption and strong photoreductant properties. Remote substitution in the ligand framework systematically affected the properties of the complexes, with TRIR spectroscopy revealing metal-to-ligand charge transfer character in the lowest singlet and triplet excited states. Insights gained from analyzing the geometric and electronic effects provide valuable information for designing complexes with long-lived triplet excited states and enhanced absorption throughout the visible spectrum.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Physical
Evgeny Bulatov, Toni Eskelinen, Alexander Yu. Ivanov, Peter M. Tolstoy, Elina Kalenius, Pipsa Hirva, Matti Haukka
Summary: Coordination compounds of platinum(II) can engage in various noncovalent axial interactions involving the metal center, with simultaneous axial interactions with two nucleophilic ligands being almost unprecedented. Structural and computational studies show that these interactions are weak, dispersive, and anti-cooperative in the ground state, but substantially strengthen and become partially covalent and cooperative in the lowest excited state. The strengthening of I...Pt...I contacts in the excited state is also predicted for the only previously reported complex with analogous axial interactions.
Article
Engineering, Environmental
Sheng-Yi Yang, Yuan-Lan Zhang, Fan-Cheng Kong, You-Jun Yu, Hong-Cheng Li, Sheng-Nan Zou, Aziz Khan, Zuo-Quan Jiang, Liang-Sheng Liao
Summary: The novel organic material, Spiro-2P-BT-TPA, exhibits multi-stimulus response properties with potential applications in optoelectronics. It shows high photoluminescence quantum yield in a solid matrix, quasi-aggregation-induced emission, mechanochromic, and solvatochromic properties, making it a promising candidate for OLEDs.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Chemistry, Multidisciplinary
Aditi Bhattacherjee, Mahima Sneha, Luke Lewis-Borrell, Giordano Amoruso, Thomas A. A. Oliver, Jasper Tyler, Ian P. Clark, Andrew J. Orr-Ewing
Summary: This study investigates the photochemical dynamics of organic photoredox catalysts in O-ATRP, revealing different excited-state lifetimes and triplet-state quantum yields for catalysts with varying propensities for controlling polymerization outcomes. The results suggest that high triplet-state quantum yields are not necessary for controlling polymer dispersity in O-ATRP reactions, highlighting the importance of re-evaluating excited-state properties in governing the photocatalytic behavior of organic photoredox catalysts.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Inorganic & Nuclear
Nicole E. Arsenault, Zhen Xu, Michael O. Wolf
INORGANIC CHEMISTRY
(2019)
Article
Urology & Nephrology
Ben H. Chew, Justin Chan, David Choy, Takahiro Hirayama, Masatsugu Iwamura, Neil Branda, Dirk Lange
JOURNAL OF ENDOUROLOGY
(2020)
Article
Chemistry, Inorganic & Nuclear
Zujhar Singh, P. Rafael Donnarumma, Marek B. Majewski
INORGANIC CHEMISTRY
(2020)
Article
Chemistry, Multidisciplinary
Francisco Yarur Villanueva, Philippe B. Green, Chenyue Qiu, Shahnaj R. Ullah, Kirstin Buenviaje, Jane Y. Howe, Marek B. Majewski, Mark W. B. Wilson
Summary: This study explores the templating effect of binary precursors on the phase-pure synthesis of Cu2ZnSnS4 nanocrystals in multinary systems, providing insights into the controlled synthesis of complex polymorphic materials.
Article
Chemistry, Multidisciplinary
William D. Leal, Caroline L. Bergeron, Tyler J. Rutherford, Marek B. Majewski
Summary: This study demonstrates a synthetic pathway to deposit calcium carbonate microstructures on a transparent conducting oxide substrate, followed by the decoration of surface-localized perovskite nanocrystals through ion-exchange reactions. This method allows for the preparation of perovskites in shapes previously inaccessible, potentially leading to enhanced optoelectronic properties.
CRYSTAL GROWTH & DESIGN
(2022)
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, Multidisciplinary
Victoria Lapointe, Christian J. Imperiale, Sollavi Chengadu, Cristina M. Pomilio, Meera Ganesh, Stephane Kena-Cohen, Marek B. Majewski
Summary: This article reports two hybrid structures of photonic crystal-perovskite nanocrystals and microbeads, which have photoluminescence matching with the parent nanocrystals and increased photoluminescence quantum yields. Time-resolved photoluminescence spectroscopy measures the radiative enhancement provided by the photonic environment of the microbeads. The reported hybrids also exhibit significantly improved resistance to degradation in water after 30 days of immersion.
CHEMICAL COMMUNICATIONS
(2023)
Article
Biophysics
Adriana Pigozzo Manso, Maria Luisa Leite, Patricia Comeau, Claudia Dietrich, Sahand Ghaffari, Dirk Lange, Neil Branda
Summary: This study evaluated the effects of adding a blue light photosensitizer, Ruthenium II complex, on experimental dental resin blends. Results showed that Ru concentrations above 1.2% led to reduced DC, while only the 1.12%Ru blend had lower SBS values after 24-hour storage. FS increased under similar aging conditions in all experimental groups. The inclusion of Ru and light exposure improved antimicrobial properties, with no significant changes in WS or SL observed.
JOURNAL OF APPLIED BIOMATERIALS & FUNCTIONAL MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Brahmjot Kaur, Rameez Raza, Neil R. Branda
Summary: A novel dual-mode system has been developed to detect and simultaneously consume hydrazine in vapour and solution, using a small photoresponsive molecule with altered optical response.
Article
Chemistry, Multidisciplinary
Daina V. Baker, Khaled M. Arafeh, Amir Asadirad, Brahmjot Kaur, Rameez Raza, Neil R. Branda
Summary: Visible light is used to trigger the release of a therapeutic agent from gold nanoparticles, allowing the agent to transfer from the polymer to the bulk medium.
NANOSCALE ADVANCES
(2021)
Article
Nanoscience & Nanotechnology
Francisco Yarur Villanueva, John Manioudakis, Rafik Naccache, Marek B. Majewski
ACS APPLIED NANO MATERIALS
(2020)
Article
Chemistry, Inorganic & Nuclear
Christopher M. Brown, Nicole E. Arsenault, Vor N. K. Cross, Duane Hean, Zhen Xu, Michael O. Wolf
INORGANIC CHEMISTRY FRONTIERS
(2020)
Article
Chemistry, Multidisciplinary
Jennifer Yuan, Peter R. Christensen, Michael O. Wolf
Article
Chemistry, Multidisciplinary
Chad D. Cruz, Jennifer Yuan, Claudia Climent, Nathan T. Tierce, Peter R. Christensen, Eric L. Chronister, David Casanova, Michael O. Wolf, Christopher J. Bardeen
Article
Chemistry, Inorganic & Nuclear
Elise Caron, Christopher M. Brown, Duane Hean, Michael O. Wolf
DALTON TRANSACTIONS
(2019)