Results 111 to 120 of about 89,902 (264)

Mixed‐Metal Promotion in a Manganese‐Molybdenum Oxynitride as Catalyst to Integrate C─C and C─N Coupling Reactions for the Direct Synthesis of Acetonitrile from Syngas and Ammonia

open access: yesAdvanced Materials, EarlyView.
Transition metal oxy/carbo‐nitrides show great promise as catalysts for sustainable processes. A Mn‐Mo mixed‐metal oxynitride attains remarkable performance for the direct synthesis of acetonitrile, an important commodity chemical, via sequential C─N and C─C coupling from syngas (C1) and ammonia (N1) feedstocks.
M. Elena Martínez‐Monje   +7 more
wiley   +1 more source

Counterintuitive Fluorescence Blue Shift in Symmetry Breaking Dicationic Bis(indolium) with Two‐Photon Absorption Properties for NIR Living Cell Imaging

open access: yesAdvanced Materials, EarlyView.
Highly water‐soluble dicationic bis(indolium) dyes have been prepared, showing excellent two‐photon absorption and light emission. Their fluorescence behavior discloses an unusual increasing blue shift with increasing solvent polarity, which, in parallel, is beneficial for enhanced detection in biological media.
Carlos Benitez‐Martin   +5 more
wiley   +1 more source

Beyond Presumptions: Toward Mechanistic Clarity in Metal‐Free Carbon Catalysts for Electrochemical H2O2 Production via Data Science

open access: yesAdvanced Materials, EarlyView.
Metal‐free carbon catalysts enable the sustainable synthesis of hydrogen peroxide via two‐electron oxygen reduction; however, active site complexity continues to hinder reliable interpretation. This review critiques correlation‐based approaches and highlights the importance of orthogonal experimental designs, standardized catalyst passports ...
Dayu Zhu   +3 more
wiley   +1 more source

Spectral Calculations with DFT

open access: yes, 2018
Ataf Ali Altaf   +2 more
openaire   +2 more sources

Microscopic Insights into Magnetic Warping and Time‐Reversal Symmetry Breaking in Topological Surface States of Rare‐Earth‐Doped Bi2Te3

open access: yesAdvanced Materials, EarlyView.
Magnetic doping of the topological insulator Bi2Te3 with erbium adatoms induces out‐of‐plane magnetism and breaks time‐reversal symmetry, opening a Dirac gap and driving a Fermi surface transition from hexagonal to star‐of‐David geometry. Microscopy, spectroscopy, and magnetic dichroism reveal atomically controlled magnetic interactions that tailor the
Beatriz Muñiz Cano   +18 more
wiley   +1 more source

Resolving the Structural Duality of Graphene Grain Boundaries

open access: yesAdvanced Materials, EarlyView.
Cantilever ncAFM resolves the atomic structure of grain boundaries in graphene, revealing coexisting stable and metastable types. Both contain pentagon/heptagon defects, but metastable GBs show irregular geometries. Modeling shows metastable GBs form under compression, exhibiting vertical corrugation, while stable GBs are flat.
Haojie Guo   +11 more
wiley   +1 more source

Crystal Growth Engineering for Dendrite‐Free Zinc Metal Plating

open access: yesAdvanced Materials, EarlyView.
This research employed the rare‐earth ion dysprosium (Dy) to modulate aqueous zinc (Zn) metal plating. Integrated multiscale experiments and computational modeling unveiled the preferential adsorption of Dy on specific crystal facets, which activated screw dislocation‐driven Zn growth.
Guifang Zeng   +10 more
wiley   +1 more source

Interface control, DFT calculation

open access: yes
Test of different interfaces, comparison with DFT ...
openaire   +1 more source

Self‐Cooling Molecular Spin Qudits

open access: yesAdvanced Materials, EarlyView.
A material made of [GdEr] molecular dimers can encode a qudit and perform as a magnetic refrigerant. Microwave resonant pulses coherently manipulate its 16 spin states, while direct demagnetization measurements cool the material and a device down to temperatures below 1 K.
Elías Palacios   +12 more
wiley   +1 more source

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