Results 111 to 120 of about 18,738 (216)
Carbon Energy, EarlyView.A series of halogen‐functionalized additives based on methyl halides, thiophene halides, and benzene halides have been selected for optimizing layer‐by‐layer organic solar cell performance, enabling BIT‐treated device achieving a record‐setting PCE of 20.12%.
Chentong Liao +6 more
wiley +1 more source
Elucidating the Role of NaCl in the on‐Surface Synthesis of Conjugated Azaacene Polymers on Au(111)
Chemistry – A European Journal, EarlyView.NaCl‐assisted on‐surface reaction on Au(111): NaCl decomposition yields Na adatoms that form metal–organic complexes, which stabilize the organic precursor, steering aryl–aryl coupling. Abstract On‐surface synthesis (OSS) offers unique opportunities for fabricating carbon‐based nanostructures that are unattainable by conventional wet‐chemical synthesis.
Tim Kratky +10 more
wiley +1 more source
ChemPhysChem, EarlyView.A H‐shaped [2]rotaxane is investigated in CH2Cl2 with all‐atoms molecular dynamics simulations combining quantum theory of atoms in molecules (QTAIM) descriptors with density functional theory (DFT) algorithms. Also, the nature of the chemical interactions modulating the formation of a square planar complex following the coordination of a PtCl2 moiety ...
Costantino Zazza +3 more
wiley +1 more source
ChemistryOpen, EarlyView.A methanol‐ligated copper(II) complex undergoes a single‐crystal‐to‐single‐crystal transformation upon solvent loss, retaining crystallinity while reorganizing its coordination geometry and hydrogen‐bonding network. This study investigates the single‐crystal‐to‐single‐crystal (SCSC) transformations of a copper(II) complex, [Cu(L1)2(acac)2]·2CH3OH (1 ...
Babak Mirtamizdoust +4 more
wiley +1 more source
ChemistryOpen, EarlyView.Two novel carboxamide hydrazone hybrids are synthesized and characterized. Structural, spectroscopic, and computational analyses reveal dominant hydrogen bonding, π–π stacking, and reactive sites. Compound 2b exhibits potent antibacterial activity against Staphylococcus aureus, highlighting its potential as a cost‐effective therapeutic agent.
Nabila A. Kheder +6 more
wiley +1 more source
Organic room temperature phosphorescence co‐crystal with reversible acid/base stimulus response
Smart Molecules, EarlyView.This work designed and prepared two stimulus—responsive room temperature phosphorescent co‐crystals named 4,4′‐bipyridine‐1,4‐diiodotetrafluorobenzene (44BD‐DITF) and 44BD‐tetrafluorobenzoic acid (TFBA) with 44BD as the main body and two organic aromatic small molecules DITF and TFBA as the guest.
Chenchen Zhang +5 more
wiley +1 more source
DMSO solvates of tert‐butylcalix[6]arene and related multisolvent structures
Acta Crystallographica Section B, EarlyView.This study highlights how solvent properties, host–guest interaction energies and packing preferences govern the solid‐state organization of tert‐butylcalix[6]arene, a macrocycle of importance in separation, molecular recognition and supramolecular chemistry.tert‐Butylcalix[6]arene (TBC6) exhibits a rich crystal energy landscape, with structural ...
Monika Wanat +2 more
wiley +1 more source
Angewandte Chemie, Volume 137, Issue 44, October 27, 2025.A bioinspired MnFe porphyrrole aerogel catalyst is synthesized using a covalent 3D framework with adjacent metal centers. The bimetallic structure enhances ORR activity through Mn─Fe synergy and high active site density. Fuel cell tests show over a 30% increase in peak power density, with DFT calculations confirming metal–metal charge transfer as the ...
Eliana Lebowitz +7 more
wiley +2 more sources