Results 41 to 50 of about 1,084,101 (265)

Sub‐Diffraction and Irreversibly Tunable Imaging With Potato Starch Lenses

open access: yesAdvanced Optical Materials, EarlyView.
Native potato starch granules function as sustainable birefringent microlenses that enable polarization‐controlled conventional and vortex lensing via spin‐to‐orbital angular momentum conversion. They provide sub‐diffraction and spiral‐contrast imaging, support vortex‐array generation with controllable topological‐charge sign, exhibit irreversible ...
Petr Bouchal   +5 more
wiley   +1 more source

Electron Impact Ionization of Metastable States of Diatomic Molecules

open access: yesAtoms, 2021
The Binary-Encounter Bethe approach was applied to the estimation of total ionization induced by electron impact in metastable states of diatomic molecules.
Annarita Laricchiuta   +2 more
doaj   +1 more source

Cell‐Based Biohybrid Micro/Nanorobots for Biotherapy

open access: yesAdvanced Robotics Research, EarlyView.
This review systematically evaluates cell‐based biohybrid micro/nanorobots (CB‐BMRs), highlighting their cell selection criteria, fabrication strategies, and diverse actuation modes. Furthermore, it surveys the promising therapeutic applications of CB‐BMRs in targeted cancer, thrombosis, and inflammation treatments, while comprehensively discussing ...
Lin Wang   +11 more
wiley   +1 more source

Realizing unconventional quantum magnetism with symmetric top molecules

open access: yesNew Journal of Physics, 2015
We demonstrate that ultracold symmetric top molecules loaded into an optical lattice can realize highly tunable and unconventional models of quantum magnetism, such as an XYZ Heisenberg spin model.
M L Wall, K Maeda, Lincoln D Carr
doaj   +1 more source

A charged diatomic triple-bonded U≡N species trapped in C82 fullerene cages

open access: yesNature Communications, 2022
Diatomic actinide molecules are ideal models for studying rare multiple-bond motifs. Here, the authors report host-guest structures of metastable charged U≡N diatoms confined in fullerene cages and stabilized by coordinative electron transfer.
Qingyu Meng   +9 more
doaj   +1 more source

High‐Throughput Screening and Interpretable Machine Learning for Rational Design of Bimetallic Catalysts for Methane Activation

open access: yesAdvanced Science, EarlyView.
ABSTRACT Methane's efficient catalytic removal is vital for sustainable development. Bimetallic catalysts, though promising for methane activation, pose a design challenge due to their complex compositional space. This work introduces an integrated framework that combines high‐throughput density functional theory (DFT) and interpretable machine ...
Mingzhang Pan   +8 more
wiley   +1 more source

Construction of Sabatier Volcanoes for CO2 Hydrogenation to C1‐2 Oxygenates Using Data‐Efficient Machine Learning

open access: yesAdvanced Science, EarlyView.
A new data‐efficient framework combining DFT calculations, a neural network model, and automated graph analysis of catalytic reaction networks is proposed and applied to CO2 hydrogenation on transition metal nanoparticles. The analysis shows how efficient C2 oxygenate production requires a balance between CHx formation, C–C coupling, protonation, and ...
Mikhail V. Polynski, Sergey M. Kozlov
wiley   +1 more source

The Preparatory (Anti)Bonding Character of Molecular Orbitals

open access: yesAdvanced Science, EarlyView.
Herein, a concept to qualitatively predict changes in bond dissociation energies upon reduction or oxidation of molecular compounds is introduced. Changing the population of so‐called preparatory molecular orbitals influences how molecular fragments are relaxing after bond cleavage, which is shown for isolated organometallic aluminum compounds as well ...
Jonas O. Wenzel   +10 more
wiley   +1 more source

Coherent atomic orbital polarization probes the geometric phase in photodissociation of polyatomic molecules

open access: yesNatural Sciences, 2022
Quantum interference between multiple pathways in molecular photodissociation often results in angular momentum polarization of atomic products and this can give deep insight into fundamental physical processes.
Chaya Weeraratna   +2 more
doaj   +1 more source

Theory of hydrogen in liquid and solid metals [PDF]

open access: yes, 1976
A method for calculating the interatomic forces between isolated hydrogens and their host metal atoms is outlined. The method uses a semiempirical, molecular-orbital approach for a suitable cluster of atoms, with the empirical parameters fitted to ...
Mainwood, A, Stoneham, AM
core  

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