Results 281 to 290 of about 9,715,830 (339)

Hybrid Diagonal Approximation in Time-Dependent Auxiliary Density Functional Theory. [PDF]

open access: yesJ Comput Chem
Pérez-Becerra KO   +4 more
europepmc   +1 more source

Active Learning‐Guided Accelerated Discovery of Ultra‐Efficient High‐Entropy Thermoelectrics

open access: yesAdvanced Materials, EarlyView.
An active learning framework is introduced for the accelerated discovery of high‐entropy chalcogenides with superior thermoelectric performance. Only 80 targeted syntheses, selected from 16206 possible combinations, led to three high‐performance compositions, demonstrating the remarkable efficiency of data‐driven guidance in experimental materials ...
Hanhwi Jang   +8 more
wiley   +1 more source

The self-management support needs of people newly diagnosed with psoriatic arthritis: a realist review protocol

open access: yes
Fishpool K   +8 more
europepmc   +1 more source

In Situ Amine Formation to Modulate MOF‐Derived PdIn N‐Doped Carbon Catalysts

open access: yesAdvanced Materials, EarlyView.
An amine‐assisted approach converts PdIn‐MOF into PdIn intermetallic nanoparticles embedded in N‐doped carbon. In situ‐generated amines trigger early Pd nucleation, producing smaller PdIn domains than direct pyrolysis. Amine sterics and basicity tune composition and particle size, while solvent and amine co‐determine textural features.
Gonzalo Egea   +9 more
wiley   +1 more source

Operando X‐ray Spectroscopy Study of Pd and Pd–Au Laterally Condensed Catalysts during Selective Acetylene Hydrogenation: The Role of Carbon

open access: yesAdvanced Materials, EarlyView.
The selective hydrogenation of acetylene over laterally condensed Pd and Pd–Au catalysts (LCCs) was investigated using operando X‐ray absorption and photoelectron spectroscopy in combination with density functional theory. Pd‐LCCs were found to incorporate significantly more carbon into the metal lattice than Pd–Au LCCs, where the carbon uptake governs
Eylül Öztuna   +22 more
wiley   +1 more source

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