Search Results - "Gelzinis, Andrius"
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Stark absorption and Stark fluorescence spectroscopies: Theory and simulations
Published in The Journal of chemical physics (28-12-2021)“…Stark spectroscopy experiments are widely used to study the properties of molecular systems, particularly those containing charge-transfer (CT) states…”
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Vibronic coherence in oxygenic photosynthesis
Published in Nature chemistry (01-08-2014)“…Photosynthesis powers life on our planet. The basic photosynthetic architecture consists of antenna complexes that harvest solar energy and reaction centres…”
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Environment-dependent chlorophyll-chlorophyll charge transfer states in Lhca4 pigment-protein complex
Published in Frontiers in plant science (07-08-2024)“…Photosystem I (PSI) light-harvesting antenna complexes LHCI contain spectral forms that absorb and emit photons of lower energy than that of its primary…”
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Application of artificial neural networks for modeling of electronic excitation dynamics in 2D lattice: Direct and inverse problems
Published in AIP advances (01-03-2023)“…Machine learning (ML) approaches are attracting wide interest in the chemical physics community since a trained ML system can predict numerical properties of…”
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Aggregation-Related Nonphotochemical Quenching in the Photosynthetic Membrane
Published in The journal of physical chemistry letters (05-12-2019)“…The photosynthetic apparatus of plants is a robust self-adjustable molecular system, able to function efficiently under varying environmental conditions. Under…”
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The nature of self-regulation in photosynthetic light-harvesting antenna
Published in Nature plants (18-04-2016)“…The photosynthetic apparatus of green plants is well known for its extremely high efficiency that allows them to operate under dim light conditions. On the…”
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Benchmarking the stochastic time-dependent variational approach for excitation dynamics in molecular aggregates
Published in Chemical physics (20-12-2016)“…[Display omitted] •The Davydov ansatze can be used for finite temperature simulations with an extension.•The accuracy is high if the system is strongly coupled…”
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Ultrafast energy transfer within the photosystem II core complex
Published in Physical chemistry chemical physics : PCCP (2017)“…We report 2D electronic spectroscopy on the photosystem II core complex (PSII CC) at 77 K under different polarization conditions. A global analysis of the…”
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Tight-binding model of the photosystem II reaction center: application to two-dimensional electronic spectroscopy
Published in New journal of physics (16-07-2013)“…We propose an optimized tight-binding electron-hole model of the photosystem II (PSII) reaction center (RC). Our model incorporates two charge separation…”
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Double Charge Transfer Dominates in Carrier Localization in Low Bandgap Sites of Heterogeneous Lead Halide Perovskites
Published in Advanced functional materials (01-04-2021)“…Heterogeneous organic‐inorganic halide perovskites possess inherent non‐uniformities in bandgap that are sometimes engineered and exploited on purpose, like in…”
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Interplay between charge separation and hole back transfer determines the efficiency of non-fullerene organic solar cells with low energy level offset
Published in Organic electronics (01-09-2022)“…Organic bulk heterojunction solar cells with electron acceptors based on small donor-acceptor type molecules show record efficiencies mainly due to their long…”
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Direct Tracking of Charge Carrier Drift and Extraction from Perovskite Solar Cells by Means of Transient Electroabsorption Spectroscopy
Published in ACS applied electronic materials (24-01-2023)“…The best perovskite solar cells currently demonstrate more than 25% efficiencies, yet many fundamental processes that determine the operation of these devices…”
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Quantum–Classical Approach for Calculations of Absorption and Fluorescence: Principles and Applications
Published in Journal of chemical theory and computation (09-11-2021)“…Absorption and fluorescence spectroscopy techniques provide a wealth of information on molecular systems. The simulations of such experiments remain…”
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Two-dimensional spectroscopy for non-specialists
Published in Biochimica et biophysica acta. Bioenergetics (01-04-2019)“…Detailed studies of the excitation dynamics in photosynthetic pigment-proteins require an application of a wide range of spectroscopic methods. From the later…”
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Ion Motion Determines Multiphase Performance Dynamics of Perovskite LEDs
Published in Advanced optical materials (01-12-2021)“…Perovskite light‐emitting diodes (PeLEDs) currently reach up to about 20% external quantum efficiency (EQE) and are becoming a promising technology for display…”
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Concentration Quenching of Fluorescence Decay Kinetics of Molecular Systems
Published in The journal of physical chemistry. B (23-05-2024)“…Fluorescence concentration quenching occurs when increasing molecular concentration of fluorophores results in a decreasing fluorescence quantum yield. Even…”
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Simulations of absorption and fluorescence lineshapes using the reaction coordinate method
Published in Chemical physics (14-11-2018)“…Absorption and fluorescence lineshapes reflect a complex interplay between electronic and vibrational dynamics in molecular aggregates. Entanglement between…”
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Concentration quenching of fluorescence in thin films of zinc-phthalocyanine
Published in Chemical physics (01-08-2023)“…The phenomenon of fluorescence concentration quenching, when fluorescence quantum yield decreases upon increase of fluorophore concentration, has been studied…”
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Application of decay- and evolution-associated spectra for molecular systems with spectral shifts or inherent inhomogeneities
Published in Chemical physics (01-09-2019)“…[Display omitted] •DAS and EAS describe small systems reliably even in the presence of disorder.•DAS and EAS produce ambiguous results when applied to large…”
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