Advanced Science, EarlyView.We report photostable, photoluminescent deep eutectic solvents (DESs) powered by in situ‐formed zero‐dimensional (0D) halometallates. Stabilized by microenvironment‐controlling hydrogen bond acceptor (HBA) and donor (HBD) networks, these DESs exhibit vibrant, metal ion‐tunable emission (PLQY = 60.2%).
Jeesu Moon +4 more
wiley +1 more source
Advanced Science, EarlyView.Multiferroic order parameters – polarization, magnetization, and ferroelastic strain – are positioned as dynamic design variables for batteries. Their mechanistic roles, practical tuning through fabrication and external fields, and ferroic‐resolved characterization routes are unified into a closed‐loop framework, revealing how coupled ferroic responses
Jiaqi Su +13 more
wiley +1 more source
The optoelectronic, mechanical, and thermoelectric properties of novel wide band gap double perovskites: a first-principles study. [PDF]
Sci RepKhan MS, Al-Hmoud M, Nabirye S, Aziz SM.
europepmc +1 more source
How Proton Incorporation Reshapes Lattice Dynamics In BaSnO3‐Type Proton Conductors
Advanced Science, EarlyView.Yttrium‐doped BaSnO3 exhibits isotope‐dependent changes in its low‐energy vibrational density of states upon hydration. Comparison of dry, H2O‐, and D2O‐treated samples re‐veals mass‐dependent phonon renormalization linked to proton dynamics near oxygen va‐cancies, providing experimental insight into hydrogen‐coupled lattice excitations in proton ...
Artur Braun +9 more
wiley +1 more source
Investigation of the electronic, magnetic, and thermoelectric characteristics of the transition metal-based double perovskites Ba<sub>2</sub>XNbO<sub>6</sub> (X = V, Cr, Mn, and Fe) for spintronic applications. [PDF]
RSC AdvRafique S +7 more
europepmc +1 more source
An exciting Approach to Theoretical Spectroscopy
Advanced Science, EarlyView.ABSTRACT Theoretical spectroscopy, and more generally, electronic‐structure theory, are powerful concepts for describing the complex many‐body interactions in materials. They cover methods from ground‐state properties to lattice excitations and light‐matter interaction, including time‐resolved variants.
Martí Raya‐Moreno +29 more
wiley +1 more source
Comprehensive study of the physical and optoelectronic properties of A<sub>2</sub>AgIrF<sub>6</sub> (A = Cs, Rb, and K) double perovskites for energy harvesting applications: a DFT approach. [PDF]
RSC AdvRayhan MA, Hossain MM, Uddin MM, Ali MA.
europepmc +1 more source
Polarization Dynamics in Ferroelectrics: Insights Enabled by Machine Learning Molecular Dynamics
Advanced Science, EarlyView.Machine learning molecular dynamics is presented as a route to capture polarization switching, domain wall kinetics, topological polar textures, and polar mechanical coupling beyond the limits of conventional atomistic methods. This Perspective surveys recent progress and identifies key methodological directions, including long‐range electrostatics ...
Dongyu Bai +3 more
wiley +1 more source
Theoretical exploration of As-based mixed halide double perovskites A<sub>3</sub>AsI<sub>6</sub> (A = K, Rb, and Cs) for photovoltaics applications using a DFT approach. [PDF]
RSC AdvKhan MY +7 more
europepmc +1 more source
Advanced Science, EarlyView.Surface‐charged N‐CQDs serve as both electrolyte additives and photocathode modifiers. Electrodeposited N‐CQDs on Cu2O form a stable composite, steering 4e− ORR toward water. A quasi‐solid electrolyte with N‐CQDs aids charge migration, electrode‐electrolyte interfacial compatibility and replenishes active sites.
Yang Wu +12 more
wiley +1 more source