Results 191 to 200 of about 916,516 (342)

Excited State Modulation in Carbene‐Metal‐Amides to Design Fast and Bright Blue Delayed Fluorescence

Advanced Functional Materials, EarlyView.
Gold‐centered carbene‐metal amide (CMA) materials with carbonyl‐group substitution on the amide donor ligand. Molecular design ensures that the charge transfer (CT) state is lower in energy than the locally excited (3LE) states. The energy difference between CT and LE states controls the rate of the delayed fluorescence.
Charlotte Riley, Nguyen Le Phuoc, Mikko Linnolahti, Alexander S. Romanov   +3 more
wiley   +1 more source

Physics-informed neural networks for time-domain simulations: Accuracy, computational cost, and flexibility

, 2023
Jochen Stiasny, Spyros Chatzivasileiadis
openalex   +1 more source

Dynamics of one-dimensional spin models via complex-time evolution of tensor networks. [PDF]

Sci Rep
Cha JH, Lee HY, Kim HS.
europepmc   +1 more source

Controlled Aggregation of Pyrene‐Based Supramolecular Nanostructures for Light‐Driven Switchable H2 or H2O2 Production

Advanced Functional Materials, EarlyView.
This work reports the self‐assembly of a pyrene derivative into two distinct nanostructures and their application in visible‐light photocatalysis. The two nanostructures exhibit completely different yet complementary photocatalytic activities, promoting either H2 or H2O2 evolution.
Marianna Barbieri, Matilde Doardo, Ilaria Fortunati, Anna Fortunato, Elisabetta Collini, Francesca Arcudi, Luka Ðorđević   +6 more
wiley   +1 more source

Derivative-free optimization for parameter estimation in computational nuclear physics [PDF]

, 2015
Stefan M. Wild, J. Sarich, N. Schunck
openalex   +1 more source

Machine Learning for Thermal Transport Prediction in Nanoporous Materials: Progress, Challenges, and Opportunities. [PDF]

Nanomaterials (Basel)
Ghasemi A, Barisik M.
europepmc   +1 more source

Composition and Resulting Band Alignment at the TiO2/InP Heterointerface: A Fundamental Study Combining Photoemission Spectroscopy and Theory

Advanced Functional Materials, EarlyView.
The chemical composition and band alignment are systematically investigated at the TiO2/InP heterointerface. Thin TiO2 films are deposited by ALD on atomically ordered, P‐terminated p‐InP(100). By combining UPS, XPS, and ab initio molecular dynamics, the atomistic structure and electronic alignment are revealed.
Mohammad Amin Zare Pour, Muhammad Nawaz Qaisrani, Christian Höhn, Johannes Laurenz Wolf, Negin Mogharehabed, Jennifer Velazquez Rojas, Wolfram Jaegermann, Erich Runge, Roel van de Krol, Thomas Hannappel, Christian Dreßler, Agnieszka Paszuk   +11 more
wiley   +1 more source

Erratum to Computational study of multimetal complexation of Nd(III) with GSH and Mg(II) in solution at different pH through 4f-4f transition spectra [Chemical Physics Impact(2022) 5/100090]

Mhasiriekho Ziekhrü, Juliana Sanchu, Zevivonü Thakro, Chubazenba Imsong, M. Indira Devi   +4 more
openalex   +1 more source

A Physics-Informed Residual and Particle Swarm Optimization Framework for Physics-Informed UAV GPS Spoofing Detection. [PDF]

Sensors (Basel)
Ma T, Zhang X.
europepmc   +1 more source

Flux‐Regulated Crystallization of Perovskites Using Machine Learning‐Predicted Solvent Evaporation Rates for X‐Ray Detectors

Advanced Functional Materials, EarlyView.
By integrating machine learning into flux‐regulated crystallization (FRC), accurate prediction of solvent evaporation rates in real time, improving crystallization control and reducing crystal growth variability by over threefold, is achieved. This enhances the reproducibility and quality of perovskite single crystals, leading to reproducible ...
Tatiane Pretto, Sergey Dayneko, Antoine Pavesic Junior, Nicholas Sandor, Alexander Hart, Yuki Haruta, Magdalena Bazalova‐Carter, Marcos J. L. Santos, Makhsud I. Saidaminov   +8 more
wiley   +1 more source