Advanced Materials Interfaces, EarlyView.Imide substitution with bulky 2,6‐isopropylphenyl groups induces perylene diimide to self‐assemble on Ag(111) into a monolayer with two coexisting adsorption heights. Molecules closer to the substrate gain metallic character due to charge transfer from the metal, while farther ones remain decoupled and semiconducting.
Giacomo Agnesod +12 more
wiley +1 more source
Investigation of propyl ethanoate + C<sub>6</sub>-C<sub>10</sub> 1-alkanols: experimental properties, molecular dynamics, and quantum chemical insights. [PDF]
RSC AdvAlmasi M, Vatanparast M, Noubigh A.
europepmc +1 more source
Advances in Halide Perovskites for Photon Radiation Detectors
Advanced Materials Technologies, EarlyView.This work highlights recent progress in perovskite‐based photon radiation detectors, covering organic–inorganic hybrid, inorganic, lead‐free double, and vacancy‐ordered halide perovskites. Their detection performance is compared, material‐specific advantages and challenges are examined, and provides insight into current limitations and future ...
Liangling Wang +3 more
wiley +1 more source
Why Computational Photochemistry Is Challenging and Will Probably Remain So: A Quantum Chemist's Perspective. [PDF]
Adv Sci (Weinh)Dreuw A.
europepmc +1 more source
Advanced Materials Technologies, EarlyView.Nanoporous silica nanoparticles incorporated in nanoporous platinum offer the possibility for implant‐associated drug delivery from neuronal electrodes. ABSTRACT Sensorineural hearing loss, resulting from damage to the hair cells of the inner ear, profoundly impairs quality of life.
Mosaieb Habib +10 more
wiley +1 more source
How to Use Quantum Computers for Biomolecular Free Energies. [PDF]
J Chem Theory ComputGünther J +20 more
europepmc +1 more source
Turning Water Into a Tool: From Degradation Pathways to Functional Engineering in Halide Perovskites
Advanced Materials Technologies, EarlyView.Water exhibits a threshold‐dependent dual role in lead halide perovskites, acting either as a degradation trigger or as a powerful tool for defect passivation, recrystallization, and structural engineering. This review discusses how controlled water‐mediated interactions govern stability, dimensionality, and optoelectronic performance, providing ...
Raphaella T. S. Gonçalves +4 more
wiley +1 more source
PairPotMCinator: a tool for fast simulations of the organic-molecular ordering on the solid surfaces using pair potentials. [PDF]
Sci RepAntoš J, Kocán P.
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Advanced Manufacturing of Composite‐Based Systems for Energy Applications
Advanced Materials Technologies, EarlyView.Advanced manufacturing enables the integration of polymers, ceramics, metal oxides, and composites into architected microstructures with tailored transport pathways. By coupling material selection, manufacturing strategy, and structural design, multifunctional energy systems can simultaneously improve electrochemical performance, thermal management ...
Sri Vaishnavi Thummalapalli +13 more
wiley +1 more source
Calculation Method for Hydrogen Evolution and Adsorption on Ir, Pt, and Ir-Pt Nanocatalysts Supported on Porous Carbon Electrodes in Water Electrolysis. [PDF]
ACS OmegaTaherkhani F, Mauss F.
europepmc +1 more source