Results 191 to 200 of about 93,520 (298)

Tuning Amorphous‐Crystalline Catalytic Interfaces by Mechanochemistry: Cu‐Based Metallic Glasses Coupled with Ceria for CO Oxidation

Advanced Materials, EarlyView.
Ball‐milling Cu‐based metallic glasses with ceria creates a unique nanostructure where metallic glass particles are wrapped by CeO2 nanoparticles. The intimate integration triggers copper state reorganization during reaction and aging, boosting CO oxidation and COPrOx activity.
Maahin Mirzay‐Shahim, Mehran Nabahat, Laia Pascua‐Solé, Isabel Serrano, Ilaria Lucentini, Xènia Garcia, Marina Armengol‐Profitós, Asier Agrelo‐Lestón, Ignasi Burgués‐Ceballos, Núria J. Divins, Ignacio J. Villar‐Garcia, Virginia Pérez‐Dieste, Carlos Escudero, Carlo Marini, Jordi Llorca, Eloi Pineda, Pere Bruna, Lluís Soler   +17 more
wiley   +1 more source

Defect phases beyond grain boundaries. [PDF]

MRS Bull
Korte-Kerzel S, Rupert TJ, Gianola DS, Sandlöbes-Haut S, Xie Z.   +4 more
europepmc   +1 more source

POM‐Based Water Splitting Catalyst Under Acid Conditions Driven by Its Assembly on Carbon Nanotubes

Advanced Materials, EarlyView.
A newly‐engineered POM‐based electrocatalyst incorporating non‐innocent counter cations exhibits fast kinetics for either the OER or HER under strongly acidic conditions (1 m H2SO4), depending on whether it is assembled on carbon nanotubes (1@CNT) or physically mixed with them (1/CNT). In water‐splitting tests using a two‐electrode setup, these systems
Eugenia P. Quirós‐Díez, Melanie Guillén‐Soler, Carlos Herreros‐Lucas, Alejandro López‐Moreno, José Manuel Vila‐Fungueiriño, Antonio Luis Llamas‐Saiz, Karol Strutyński, Manuel Melle‐Franco, María del Carmen Giménez‐López   +8 more
wiley   +1 more source

User-Defined Electrostatic Potentials in DFT Supercell Calculations: Implementation and Application to Electrified Interfaces. [PDF]

J Chem Theory Comput
Mattoso S, Yang J, Deißenbeck F, Abdelkawy A, Freysoldt C, Wippermann S, Todorova M, Neugebauer J.   +7 more
europepmc   +1 more source

Flexoelectrically Induced Polar Topology in Twisted SrTiO3 Membranes

Advanced Materials, EarlyView.
Twisted SrTiO3 bilayers host polar vortices of flexoelectric origin, revealed through combined experiment and theory. By reconstructing polarization from the toroidal moment of strain gradients, the work establishes a 3D chiral state with broken inversion and mirror symmetries.
Isabel Tenreiro, Hugo Aramberri, Víctor Rouco, Gabriel Sánchez‐Santolino, Mariona Cabero, Fernando Gallego, David Sánchez‐Manzano, José M. González‐Calbet, Federico Mompeán, Mar García‐Hernández, Alberto Rivera‐Calzada, Jorge Íñiguez‐González, Carlos León, Jacobo Santamaría   +13 more
wiley   +1 more source

Conformational landscape of β-cyclodextrin: a computational resource for host-guest modeling in supramolecular systems. [PDF]

J Comput Aided Mol Des
Napiórkowska E, Szeleszczuk Ł.
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, Juan Ignacio Beltrán, Matilde Saura‐Múzquiz, Paolo Perna, M. Carmen Muñoz, Lucas Pérez, Maria Varela   +6 more
wiley   +1 more source

Calix[4]resorcinarene Amide Derivative: Thermodynamics of Cation Complexation Processes and Its Remarkable Properties for the Removal of Calcium (II) from Water. [PDF]

Int J Mol Sci
de Namor AFD, Jumaa A, Al Hakawati N.
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, Kobra Azizi, Dirk M. Guldi, Tomás Torres   +3 more
wiley   +1 more source

Quantifying Knowledge Production Efficiency with Thermodynamics: A Data-Driven Study of Scientific Concepts. [PDF]

Entropy (Basel)
Chumachenko A, Buttliere B.
europepmc   +1 more source