Results 161 to 170 of about 12,451 (198)

Mg2+ Ions as Interfacial Charge Bridges for Enhanced Photocatalytic Hydrogen Evolution in Poly(Heptazine Imide)

Small, EarlyView.
Mg2+ confined within poly(heptazine imide) acts as a heterogenized interfacial charge bridge capable to couple synergistically the semiconductor with Pt co‐catalysts, thus enhancing hydrogen evolution. Through water polarization and hydroxide stabilization, a dynamic Mg2+‐OHδ−‐Hδ+‐Pt motif facilitates proton transfer and overcomes interfacial electron ...
Gabriel A. A. Diab, Vitor G. S. Pastana, Sara Stolfi, Rayse M. Ferreira, Izadora F. Reis, Marcos A. R. da Silva, Caio V. C. Ribeiro, Kathrin Küster, Piero Torelli, Paolo Ghigna, Viola Duppel, Maurizio Fagnoni, Sebastian Bette, Bruna R. Serino, Andre F. de Moura, Davide Ravelli, Bettina V. Lotsch, Ivo F. Teixeira   +17 more
wiley   +1 more source

Mechanism‐Guided Engineering of Upconversion Nanoparticles for Antibacterial Phototherapy: From Photonic Principles to Translational Nanosystems

Small, EarlyView.
This review provides a systematic overview of the field of antibacterial PhotoDynamic Therapy (aPDT) triggered by upconversion nanoparticles (UCNPs), focusing on the mechanisms and the key factors that define their efficacy for generating bactericidal species upon NIR‐light activation.
Zhe Li, Calum Johnston, Barbara Lonetti, Clément Roux   +3 more
wiley   +1 more source

Ethynyl Substituents as Rheostatic Triggers in Single‐Molecule Junctions

Small, EarlyView.
We demonstrate a method to impart rheostatic behavior by extending the core π‐system with ethynyl substituents. Compressing and relaxing single molecule junctions gave continuous changes in conductance, akin to a traditional variable resistor: a rheostat.
R. Tom Abram, Lewis Hamilton, Amit Sil, James H. H. Burrows, Simon J. Higgins, Hatef Sadeghi, Richard J. Nichols, Sara Sangtarash, Andrea Vezzoli   +8 more
wiley   +1 more source

A Comprehensive Multimodal Study of La0.45Sr0.45TiO3 Structure as Matrix for the Exsolution Process: From the Average to the Local Scale

Small, EarlyView.
We present a multimodal, multiscale study of La0.45Sr0.45TiO3 combining experimental and computational approaches to probe its local structure. The results reveal A‐site ordering along [001] and loss of centrosymmetry driven by electrostatic effects.
Marco Pinna, Jonathan Cavazzani, Marta Mirolo, Gabriel J. Cuello, Nader Barhouma, Andrea Trapletti, Carlo Castellano, Fausto Cargnoni, Mario I. Trioni, Antonella Glisenti, Marco Scavini   +10 more
wiley   +1 more source

Odd‐even effects in molecular junctions: A Solomonic resolution of conflicting reports on conductance trends, metal specificity, and microscopic origin

Smart Molecules, EarlyView.
By combining extensive transport data with the off‐resonant single‐level model and z‐score statistics, we demonstrate that the odd–even alternation is platform‐independent, of dual interface–bulk origin, and exhibits a conductance crossover at n = 12—reconciling contradictory literature and providing a Solomonic solution to debates on trends, metal ...
Jiajun Feng, Ioan Bâldea, Zuoti Xie
wiley   +1 more source

Catching Wyckoff’s Phantom: The Peculiar Crystal Structure of Orthorhombic Cs[ICl2]

Zeitschrift für anorganische und allgemeine Chemie, EarlyView.
Over 100 years after the first crystallographic elucidation, the still elusive orthorhombic modification of Cs[ICl2] could be isolated and structurally elucidated from the reaction of aqueous H[ICl4] with Cs2CO3. The [ICl2]− anion shows an unusually large bond length asymmetry, which shows characteristics of a Cl−∙∙∙I–Cl complex with an extremely ...
Jan Langwald, Antonio Frontera, Mathias S. Wickleder   +2 more
wiley   +1 more source

From mystery to modulation: the structural story of Rb2[Si2O5]

Acta Crystallographica Section B, EarlyView.
The crystal structure of Rb2[Si2O5] has been solved and refined as an incommensurately modulated phase. Each [SiO4] tetrahedron of the phyllosilicate adopts one of two distinct orientations, and the positions of their constituent silicon and oxygen atoms are modeled using a combination of crenel and harmonic positional modulation functions.The crystal ...
Clivia Hejny, Volker Kahlenberg, Hannes Krüger   +2 more
wiley   +1 more source

Analysis of lattice changes and weak interactions in a series of solvatomorphic isostructural spin‐crossover compounds

Acta Crystallographica Section C, EarlyView.
Five new solvatomorphic spin‐crossover compounds were crystallized and structurally characterized. Variable‐temperature X‐ray diffraction, Hirshfeld surface analysis and NCI plots shed light on the role of weak interactions.Five new solvate forms of the complex bis(thiocyanato‐κN)[tris(pyridin‐2‐ylmethyl)amine‐κ4N,N′,N′′,N′′′]iron(II), [Fe(NCS)2 ...
Daniel Brüx, Johannes Bartusel, Florian Kleemiss   +2 more
wiley   +1 more source

Determination of the one‐electron reduced Wigner function for a molecular crystal

Acta Crystallographica Section A, EarlyView.
The first reconstruction of an experimental one‐particle reduced Wigner function for electrons in molecular crystals is reported. It relies on an ensemble N‐representable model jointly refined from the X‐ray diffraction and Compton scattering data.The Wigner function provides a complete phase‐space representation of a quantum state.
Sizhuo Yu, Jean-Michel Gillet
wiley   +1 more source

Wave Tracing: Generalizing The Path Integral To Wave Optics

Computer Graphics Forum, EarlyView.
Abstract Modeling the wave nature of light and the propagation and diffraction of electromagnetic fields is crucial for the accurate simulation of many phenomena, yet wave simulations are significantly more computationally complex than classical ray‐based models.
Shlomi Steinberg, Matt Pharr
wiley   +1 more source