A Simple Descriptor for Solid‐State Ionic Conductors Across Chemistries
Advanced Materials, EarlyView.Researchers develop a simple and transferable descriptor, distance contraction, for solid‐state ion migration across Li‐, Na‐, K‐, and Mg‐ion conductors and diverse anion chemistries. By capturing the maximum local contraction experienced by the migrating ion, the descriptor enables rapid materials screening and unifies diverse ion‐transport mechanisms.
Ramanuja Srinivasan Saravanan +4 more
wiley +1 more source
Unveiling the supramolecular assembly of a novel antimony(iii)-based co-crystal: integrating multi-spectroscopic analyses, DFT calculations, and advanced biological evaluations. [PDF]
RSC AdvElleuch N +5 more
europepmc +1 more source
Biomass DNA: An Emerging Building Block for Advanced Materials
Advanced Materials, EarlyView.Biomass DNA is rapidly emerging from its traditional role as a genetic blueprint to serve as a versatile abundant, highly programmable polymeric building block. This review highlights the transformation of macroscopic bulk biomass DNA into next generation of functional materials, spanning from dynamic hydrogels, sustainable bioplastics, and high ...
Yuwei Hu, Itamar Willner, Li Niu
wiley +1 more source
Exploring imidazo[1,2-a]pyridine hybrids in cancer therapy: ADMET profiling, molecular docking, MD simulations and DFT calculations. [PDF]
Sci RepShah D, Nagani A, Shah M, Patel A.
europepmc +1 more source
Synthesis of Ti2B2Clx MBenes in Molten Salts From Theoretical and Experimental Perspectives
Advanced Materials, EarlyView.By integrating a theoretical framework with experiments, Ti2InB2 was selectively etched with ZnCl2 to produce a multilayer (ml) Ti2B2Clx MBene. The In atoms are completely removed, with simultaneous incorporation of chlorine surface terminations. in situ x‐ray diffraction indicates a direct biphasic transformation from Ti2InB2 to ml‐MBene, with no ...
Rodrigo M. Ronchi +15 more
wiley +1 more source
Investigation of Acoramidis-based ionic liquids as potential stabilizers of transthyretin using DFT calculations, molecular docking, and ADMET studies. [PDF]
Sci RepMostaghni F, Mahani NM.
europepmc +1 more source
Adaptive Supramolecular Interactions Govern Redox‐Active Molecules in Aqueous Redox Flow Batteries
Advanced Materials, EarlyView.Adaptive supramolecular interactions overcome the solubility‐stability trade‐off in aqueous redox flow batteries. Hydrophobic anions disrupt intrinsic π–π stacking to enable high solubility, while redox‐state‐dependent spin pairing and cation coordination dynamically stabilize reactive intermediates during operation.
Vikram Singh +12 more
wiley +1 more source
Solvatochromic, spectroscopic, DFT calculations, antimicrobial and docking studies of new Fe(III), Co(II), and Ni(II) chelates containing 1,2,4-triazine. [PDF]
Sci RepAbdelrhman EM +5 more
europepmc +1 more source
Mechanically‐Driven Reconstruction of Lithium Metal for Stable All‐Solid‐State Batteries
Advanced Materials, EarlyView.Mechanical reconstruction reorganizes commercial Li from surface to bulk by refining surface topography, renewing the native passivation layer, and establishing a strongly (200)‐preferred texture. Native‐passivation renewal promotes interfacial Li‐ion transport, whereas texture homogenization regulates the spatial distribution of Li flux and supports ...
Yujian Sun +2 more
wiley +1 more source
Pressure-induced mechanically, thermodynamically and structurally stable half-metallic ferromagnetic NiSc<sub>2</sub>X<sub>4</sub> (X = S and Se) spinels for spintronic applications: DFT-calculations. [PDF]
RSC AdvKhan MA +6 more
europepmc +1 more source