Crystal Growth Engineering for Dendrite‐Free Zinc Metal Plating
Advanced Materials, EarlyView.This research employed the rare‐earth ion dysprosium (Dy) to modulate aqueous zinc (Zn) metal plating. Integrated multiscale experiments and computational modeling unveiled the preferential adsorption of Dy on specific crystal facets, which activated screw dislocation‐driven Zn growth.
Guifang Zeng +10 more
wiley +1 more source
Advanced Materials, EarlyView.The water permeability of amorphous carbon dots (CDs) is demonstrated by investigating their plasticization. Novel polyamide‐based and amorphous nanoparticles are synthesized by controlling their inner packing density. Water plasticization is evidenced by the decrease of the CDs glass transition temperature with increasing the hydration degree.
Elisa Sturabotti +8 more
wiley +1 more source
A universal framework for the quantum simulation of Yang-Mills theory. [PDF]
Commun PhysHalimeh JC +5 more
europepmc +1 more source
Solvent‐Free Thermal Defect Engineering in Molecular Frameworks With Volatile Linkers
Advanced Materials, EarlyView.Thermal removal of neutral volatile linkers enables precise and solvent‐free generation of metal vacancies in MOFs. This strategy affords redox‐stable, coordinatively unsaturated FeII sites with tunable spin, ligand coordination, and catalytic behavior. The approach offers a general route to design defect‐functional materials through local coordination
Sonia Martínez‐Giménez +9 more
wiley +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 +8 more
wiley +1 more source
Benchmarking Orbital-Free Density-Potential Functional Theory of Electrified Metal-Solution Interfaces. [PDF]
J Chem Theory ComputLi C, Wang X, Eikerling M, Huang J.
europepmc +1 more source
Spin‐Split Edge States in Metal‐Supported Graphene Nanoislands Obtained by CVD
Advanced Materials, EarlyView.Combining STM measurements and ab‐initio calculations, we show that zig‐zag edges in graphene nanoislands grown on Ni(111) by CVD retrieve their spin‐polarized edge states after intercalation of a few monolayers of Au. ABSTRACT Spin‐split states localized on zigzag edges have been predicted for different free‐standing graphene nanostructures.
Michele Gastaldo +6 more
wiley +1 more source
Fundamental Study of Density Functional Theory Applied to Triplet State Reactivity: Introduction of the TRIP50 Data Set. [PDF]
J Chem Theory ComputHughes WB, Popescu MV, Paton RS.
europepmc +1 more source
Unravelling the Secret of Sulfur Confinement and High Sulfur Utilization in Hybrid Sulfur‐Carbons
Advanced Materials, EarlyView.Thermal condensation of inverse vulcanized sulfur‐carbon hybrids enables a bottom‐up sulfur confinement strategy, in which a protective carbon phase is progressively constructed around sulfur species. The resulting carbon nanodomains covalently tether sulfur chains and stabilize radical intermediates. This integrated architecture effectively suppresses
Tim Horner +9 more
wiley +1 more source
Predictive Chemical Kinetic Modeling: Where We Succeed, Where We Struggle, and What Comes Next. [PDF]
ACS Eng AuGrinberg Dana A +3 more
europepmc +1 more source