Advanced Materials, EarlyView.The new Cu‐containing MOF (Me2NH2)(CuICl2)@[Cu4(INA)4Cl2O]·1.5dmf (3) contains a cation and an anion as guests and shows UV‐near‐mid‐IR absorption and near‐IR emission. MOF 3 shows gas‐solid reactivity in the presence of NH3 and HCOOH to yield two new 3D MOF.
Rajat Saha +10 more
wiley +1 more source
Natural talc: a basic, cost-effective, and available catalyst for the one-pot synthesis of dihydropyranochromenes and pyranopyrazoles, along with related DFT calculations. [PDF]
Sci RepDehghanizadeh A +2 more
europepmc +1 more source
Atomistic Mechanisms Triggered by Joule Heating Effects in Metallic Cu‐Bi Nanowires for Spintronics
Advanced Materials, EarlyView.Bi doped metallic Cu nanowires are promising for spintronics thanks to the stabilization of a giant spin Hall effect. However, heat resulting from current injection forces Bi to leave solution, forcing segregation into monoatomic decorations which evolve into coherent crystalline aggregates.
Alejandra Guedeja‐Marrón +6 more
wiley +1 more source
Mechanical, half-metallic ferro-magnetic and thermoelectric properties double perovskites Li<sub>2</sub>W(Cl/Br)<sub>6</sub> for spintronic and energy devices: DFT-calculations. [PDF]
Sci RepAhmad M +6 more
europepmc +1 more source
Azaporphyrinoid‐Based Photo‐ and Electroactive Architectures for Advanced Functional Materials
Advanced Materials, EarlyView.A long‐standing collaboration between the Torres and Guldi groups has yielded diverse azaporphyrinoid‐based donor‐acceptor nanohybrids with promising applications in solar energy conversion. This conspectus highlights key molecular platforms and structure‐function relationships that govern light and charge management, supporting the rational design of ...
Jorge Labella +3 more
wiley +1 more source
Electrochemical and Optical Experiments and DFT Calculations of 1,4,6,8-Tetrakis((<i>E</i>)-2-(thiophen-2-yl)vinyl)azulene. [PDF]
MoleculesMusina Borsaru C +5 more
europepmc +1 more source
COFs on MOFs: Layer‐by‐Layer Synthesis of MOF@COF Nanoparticles with Synergistic Adsorption
Advanced Materials, EarlyView.A layer‐by‐layer strategy enables the growth of crystalline covalent organic framework (COF) shells on metal–organic framework nanoparticles, creating core–shell structures with tunable porosity. Ordered interstitial mesopores are formed during shell growth, which are connected with the COF's intrinsic micropores, thereby enhancing water sorption. This
Ana Guillem‐Navajas +11 more
wiley +1 more source
Flavonoids as Promising Akt1 Inhibitors in Cancer Medicine: Insights From Molecular Docking, Dynamics, DFT Calculations, and In Vitro Validation. [PDF]
Cancer Rep (Hoboken)Jamshidi S +4 more
europepmc +1 more source
Polymorph‐Specific Electronic Transduction in WO3 during Molecular Sensing
Advanced Materials, EarlyView.Metal‐oxide polymorphs with similar surface chemistry can nevertheless exhibit distinct sensing properties. In γ‐ and ε‐WO3, analyte adsorption appears comparable; yet, only ε‐WO3 induces a pronounced lattice electronic perturbation that accommodates charge in sub‐conduction band minimum states.
Matteo D'Andria +6 more
wiley +1 more source
Green Hydrothermal Synthesis of 5‑Phenyl-1H-tetrazole through Cycloaddition [3 + 2] Using Co(II) as Catalyst: Statistical Optimization by Response Surface Methodology (RSM) and DFT Calculations. [PDF]
ACS OmegaAlarcon-Gonzales Del Valle J +2 more
europepmc +1 more source