Results 111 to 120 of about 39,054 (213)

Chiral Porphyrin Monolayers on Ferromagnetic Thin Films: Ultrafast Spectroscopy of Hybrid Interfaces

Advanced Optical Materials, EarlyView.
Chiral porphyrin–oligopeptide monolayers covalently bound to Au‐capped Co/Ni multilayers form surface‐parallel J‐type aggregates and exhibit measurable singlet‐state transient absorption despite monolayer coverage. Femtosecond pump–probe spectroscopy reveals strong excited‐state quenching at the metal interface, yet no long‐lived charge‐transfer ...
Karol Hauza, Anna Lewandowska‐Andralojc, Ruslan Salikhov, Jürgen Lindner, Gotard Burdzinski, Marcin Kwit, Bronislaw Marciniak, Aleksandra Lindner   +7 more
wiley   +1 more source

Multilevel DFT Response Theory. [PDF]

J Chem Theory Comput
Barlini A, Bloino J, Koch H, Giovannini T.   +3 more
europepmc   +1 more source

Photodoping in Wide‐Bandgap Perovskite Solar Cells With MXenes

Advanced Optical Materials, EarlyView.
Ultrafast tandem spectroscopy and DFT modeling reveal the separate dynamics and the imbalance of electrons and holes in wide bandgap perovskite solar cells with MXene incorporation. The enhanced photoconversion performances of the devices are traced to photodoping, with selective hole trapping and suppressed recombination of electrons.
Angelica Simbula, Antonio Agresti, Sara Pescetelli, Sofia Sechi, Nicola Sestu, Francesco Mattana, Federico Pitzalis, Riccardo Pau, David Dell'Angelo, Alessio Filippetti, Alessandro Mattoni, Anna Pazniak, Daniela Marongiu, Valeria Demontis, Francesco Quochi, Michele Saba, Andrea Mura, Giovanni Bongiovanni   +17 more
wiley   +1 more source

Spin Dynamics in Open Quantum Systems: A DLvN-TDDFT Approach. [PDF]

J Chem Theory Comput
Chavan KT, Hod O, Peralta JE.
europepmc   +1 more source

From Molecular Design to Optical Anisotropy: Orientation Control in BODIPY Langmuir‐Blodgett Films

Advanced Optical Materials, EarlyView.
The supramolecular organization of amphiphilic boron‐dipyrromethene (BODIPY) dyes in Langmuir–Blodgett monolayers is shown to govern their optical anisotropy. By correlating nanoscale imaging and angle‐resolved spectroscopy, we reveal symmetry‐driven control of transition dipole orientation, enabling either in‐plane or out‐of‐plane optical responses ...
Lilia Huynh, Jason Bessonnet, Lucas Frédéric, Céline Fiorini‐Debuisschert, Simon Vassant, Hélène Fensterbank, Emmanuel Allard, David Kreher, Fabrice Charra, Nicolas Fabre   +9 more
wiley   +1 more source

Quantum-Chemical Multiligand Simultaneous Docking of Three-Membered Rings in the Active Site of Butyrylcholinesterase. [PDF]

Curr Issues Mol Biol
Jakobović N, Kalinovčić P, Borovec J, Primožič I, Hrenar T.   +4 more
europepmc   +1 more source

Eco‐Designed Transparent Bacterial Cellulose Composites for Next‐Generation Opto‐Electronics

Advanced Optical Materials, EarlyView.
The developed transparent bacterial cellulose (BC) composite film using bio‐based resin results in higher transparency (89%) and lower haze (12%) at 550 nm, combined with insulative, hydrophobic and mechanically robust properties, thereby, enabling successful fabrication of an electrochromic device with efficient optical modulation on a sustainable ...
Liya Antony, Sanosh Kunjalukkal Padmanabhan, Amal Alliyankal Vijayakumar, Marco Pugliese, Maria Assunta Signore, Antonella Giuri, Vincenzo Maiorano, Antonio Licciulli, Sonia Carallo, Aurora Rizzo, Carola Esposito Corcione   +10 more
wiley   +1 more source

Deposition of an Addressable Molecular Spin Qubit with Built-In Decoupling Structure. [PDF]

J Am Chem Soc
Giaconi N, Tacconi L, Briganti M, Nicolini A, Mironova O, Albanesi M, Lion J, Santanni F, Otero E, Ohresser P, Serrano G, Poggini L, Cornia A, Mannini M.   +13 more
europepmc   +1 more source

Confinement‐Induced Nonlocality and Optical Nonlinearity of Transdimensional Titanium Nitride Films in the Epsilon‐Near‐Zero Region

Advanced Optical Materials, EarlyView.
The epsilon‐near‐zero (ENZ) effect in metals emerges only in nanometer‐scale films with exceptional optical quality. Titanium nitride (TiN) films grown by molecular beam epitaxy retain high crystallinity down to 2 nm and exhibit dramatically enhanced nonlinear optical responses near the ENZ region.
Fan‐Ting Tseng, I‐Hung Ho, Ting‐Jui Kuo, Shangjr Gwo, Igor V. Bondarev, Hyeyoung Ahn   +5 more
wiley   +1 more source

ReLink-PyB: an adapted REINVENT-based framework for non-DSM PfDHODH inhibitor discovery. [PDF]

Sci Rep
Thomas TV, Thakur A, Kumar SA, Tom A, Krishnan A, Nagaraja S.   +5 more
europepmc   +1 more source