Results 211 to 220 of about 62,036 (292)

Why Physics Still Matters: Improving Machine Learning Prediction of Material Properties With Phonon‐Informed Datasets

open access: yesAdvanced Intelligent Discovery, EarlyView.
Phonons‐informed machine‐learning predictive models are propitious for reproducing thermal effects in computational materials science studies. Machine learning (ML) methods have become powerful tools for predicting material properties with near first‐principles accuracy and vastly reduced computational cost.
Pol Benítez   +4 more
wiley   +1 more source

Probing Steady‐State Carrier Properties and Charge Transport in Covalent Organic Framework by Frequency‐Domain Terahertz Spectroscopy

open access: yesAngewandte Chemie, EarlyView.
This work reports a combined frequency‐domain and time‐domain terahertz (THz) spectroscopic approach to elucidate intrinsic carrier properties and transport mechanisms in framework materials over the extended 0.5–20 THz region. Subtle structural and chemical variations are shown to strongly influence THz charge‐transport behavior across the far ...
Satyapriya Nath   +13 more
wiley   +2 more sources

Data‐Driven Review and Machine Learning Prediction of Diamond Vacancy Center Synthesis

open access: yesAdvanced Intelligent Systems, EarlyView.
A machine learning framework is applied to photoluminescence spectra to extract linewidths and uncover how NV, SiV, GeV, and SnV centers evolve with growth and processing conditions. Unified normalization and k‐fold validation reveal cross‐method trends and enable rapid prediction of defect size and fabrication parameters, offering a data‐driven route ...
Zhi Jiang   +3 more
wiley   +1 more source

Spin‐State Modulation of Atomic Iron Sites Enables Efficient CO2 Electroreduction in Acid Medium

open access: yesAngewandte Chemie, EarlyView.
An axial oxygen ligand was added to shift the spin state of the single‐atom Fe site from low to medium spin. This change reduces the interfacial interaction with H3O+ and decreases the *CO desorption energy, thus enhancing CO2RR in acidic media.
Shanhe Gong   +13 more
wiley   +2 more sources

Miniaturized Conductometric Biosensor for Rapid Detection of TNF‐α in Saliva

open access: yesAdvanced NanoBiomed Research, EarlyView.
A miniaturized conductometric sensor detects TNF‐α at femtomolar levels with high selectivity. The device enables noninvasive testing using pooled human saliva and supports smartphone‐based, real‐time resistance readings. This portable biosensor offers a practical alternative for monitoring TNF‐α, providing new opportunities for diabetes and related ...
Mingjie Yang   +8 more
wiley   +1 more source

Excited‐State Pathway Switching via Reversible Structural Phase Transitions in Sb3+‐Doped Cadmium Halides

open access: yesAngewandte Chemie, EarlyView.
Octahedral (DFPD)6CdCl8:10%Sb and tetrahedral (DFPD)2CdCl4·H2O:5%Sb exhibit distinct luminescence dictated by coordination geometry. Solvent‐induced reversible phase transformation enables dynamic switching between yellow and deep‐orange emission. Combined experimental and computational studies elucidate the luminescence mechanisms, and the reversible ...
Zhe Tang   +7 more
wiley   +2 more sources

Compact and programmable large-scale optical processor in free space. [PDF]

open access: yesLight Sci Appl
Ammendola MG   +6 more
europepmc   +1 more source

Circularly Polarized Luminescent and Melt‐Processable Copper(I)‐Organic Glasses Based on 2,2′‐Bis(diphenylphosphino)‐1,1′‐binaphthyl

open access: yesAngewandte Chemie, EarlyView.
Homochiral Cu(I) cyanide complexes based on 2,2’‐bis(diphenylphosphino)‐1,1’‐binaphthyl (BINAP) form melt‐quenched and desolvation‐derived metal–organic glasses that exhibit circularly polarized thermally activated delayed fluorescence (TADF) at room temperature, enabling processable chiroptical materials.
Zeyu Fan   +5 more
wiley   +2 more sources

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