Results 161 to 170 of about 655,640 (396)

Artificial Modulation of the Hydrogen Evolution Reaction Kinetics via Control of Grain Boundaries Density in Mo2C Through Laser Processing

open access: yesAdvanced Functional Materials, EarlyView.
A laser‐driven strategy enables precise microstructural modulation of Mo₂C, achieving nanoscale grain control (15.6 ± 5 nm) and an ultrahigh grain boundary density (130 µm−1). Moreover, high‐angle grain boundaries enhance active sites, facilitate electron transport, and optimize hydrogen adsorption kinetics, significantly reducing overpotential.
Seok‐Ki Hyeong   +13 more
wiley   +1 more source

Control of Ferromagnetism of Vanadium Oxide Thin Films by Oxidation States

open access: yesAdvanced Functional Materials, EarlyView.
The nonstoichiometric VOx exhibits a distinct ferromagnetic hysteresis loop and demonstrates a high magnetic susceptibility (χ=dMdH$ = \frac{{dM}}{{dH}}\;$∼10). Micromagnetic simulations show the results of the “partial volume fraction ferromagnetic phase model” for VOx/Co/Pt structure.
Kwonjin Park   +9 more
wiley   +1 more source

Phenyl-cyclopentadienyl rule

open access: yesMacedonian Journal of Chemistry and Chemical Engineering, 2012
Within a systematic study of cyclic conjugation in the benzo-annelated derivatives of acenaphthylene and fluoranthene, a general regularity was discovered, named phenyl-cyclopentadienyl rule (PCP rule).
Jelena Đurđević, Ivan Gutman
doaj   +1 more source

Dynamical structure factors of Warm Dense Matter from Time-Dependent Orbital-Free and Mixed-Stochastic-Deterministic Density Functional Theory [PDF]

open access: yesarXiv
We present the first calculations of the inelastic part of the dynamical structure factor (DSF) for warm dense matter (WDM) using Time-Dependent Orbital-Free Density Functional Theory (TD-OF-DFT) and Mixed-Stochastic-Deterministic (mixed) Kohn Sham TD-DFT (KS TD-DFT).
arxiv  

The DFT and molecular dynamics multiscale study of the corrugation of graphene on Ru(0001): the unexpected stability of the moire-buckled structure [PDF]

open access: yesarXiv, 2014
Results from first principles density functional theory (DFT) calculations and classical molecular dynamics (CMD) simulations are presented on moire-corrugation of graphene (gr). We find that the moire-corrugated graphene could be surprisingly stable against the perfectly flat gr-sheet as pointed out by CMD simulations and DFT calculations.
arxiv  

Scaling‐Up of Structural Superlubricity: Challenges and Opportunities

open access: yesAdvanced Functional Materials, EarlyView.
At increasing length‐scales, structural superlubricity (SSL) faces challenges from physical and chemical energy dissipation pathways. This study reviews recent experimental and theoretical progress on these challenges facing the scaling‐up of SSL, as well as perspectives on future directions for realizing and manipulating macroscale superlubricity ...
Penghua Ying   +4 more
wiley   +1 more source

Dental caries and weight among children in Nuuk, Greenland, at school entry

open access: yesInternational Journal of Circumpolar Health, 2017
Objective: To explore the possible association between weight class and prevalence of caries among children born 2005-2007, living in Nuuk, Greenland, at time of school entry. Design: A cross-sectional register study based on data from electronic medical
Signe Sloth Madsen   +2 more
doaj   +1 more source

Minuscule Amounts of Pt Single Atoms Selectively Loaded on Minor (101) Facet of Anatase Crystallites Enables Outstanding Utilization Efficiency for Photocatalytic H2 Production

open access: yesAdvanced Functional Materials, EarlyView.
Ar–H2 annealing triggers redistribution of pre‐deposited Pt single atoms (SAs) on faceted anatase nanosheets, with selective SAs accumulation on the minor (101) facetsthus the co‐catalytic SA‐sites are positioned only where they are needed, i.e. at the electron exit facets.
Shanshan Qin   +6 more
wiley   +1 more source

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