Cost-Efficient High-Resolution Linear Absorption Spectra through Extrapolating the Dipole Moment from Real-Time Time-Dependent Electronic-Structure Theory. [PDF]
J Chem Theory Comput, 2023 Hauge E +5 more
europepmc +1 more source
Band Alignment in In‐Oxo Metal Porphyrin SURMOF Heterojunctions
Advanced Functional Materials, EarlyView.Porphyrin core metalation in indium‑oxo SURMOFs enables systematic tuning of band edge positions without altering the crystal structure. First‑principles calculations reveal type‑I and type‑II heterostructures as well as multi‑junction energy cascades, establishing a modular strategy for exciton funneling and charge separation in optoelectronic ...
Puja Singhvi, Nina Vankova, Thomas Heine
wiley +1 more source
Characterization of Biological Absorption Spectra Spanning the Visible to the Short-Wave Infrared. [PDF]
J Vis ExpGruensfelder HDR +5 more
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Excitonic Nature of Carotenoid-Phthalocyanine Dyads and Its Role in Transient Absorption Spectra. [PDF]
ACS Phys Chem Au, 2022 Sláma V, Cupellini L, Mennucci B.
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Photoswitching Conduction in Framework Materials
Advanced Functional Materials, EarlyView.This mini‐review summarizes recent advances in state‐of‐the‐art proton and electron conduction in framework materials that can be remotely and reversibly switched on and off by light. It discusses the various photoswitching conduction mechanisms and the strategies employed to enhance photoswitched conductivity.
Helmy Pacheco Hernandez +4 more
wiley +1 more source
Simulations of Two-Photon Absorption Spectra of Fluorescent Dyes: The Impact of Non-Condon Effects. [PDF]
J Chem Theory ComputSarkar R +5 more
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Absorption Spectra Description for T-Cell Concentrations Determination and Simultaneous Measurements of Species during Co-Cultures. [PDF]
Sensors (Basel), 2022 Wacogne B +6 more
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Advanced Functional Materials, EarlyView.A food‐grade cooling composite made from starch and recycled eggshell powder offers a scalable, ultra‐low‐cost solution for passive daytime radiative cooling. Easily prepared using basic kitchen tools, this material empowers communities, even in areas with limited infrastructure, to stay cooler during worsening summer heat waves.
Qimeng Song +3 more
wiley +1 more source
Explainable Encoder-Prediction-Reconstruction Framework for the Prediction of Metasurface Absorption Spectra. [PDF]
Nanomaterials (Basel)Ouyang Y, Zeng Y, Liu X.
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Many-body effects in the X-ray absorption spectra of liquid water. [PDF]
Proc Natl Acad Sci U S A, 2022 Tang F +6 more
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