Results 161 to 170 of about 149,229 (279)

Steady State Ranked Gibbs Sampler

open access: yes, 2011
Gibbs sampler as a computer-intensive algorithm is an important statistical tool both in application and in theoretical work. This algorithm, in many cases, is time-consuming; this paper extends the concept of using the steady-state ranked simulated ...
Dunbar, Martin X.   +2 more
core  

Metal Active‐Site Exposure via Ligand Engineering Boosts CO2‐to‐Ethylene Conversion on Cu18 Nanoclusters

open access: yesAdvanced Science, EarlyView.
Through quantitative ligand stripping of [Cu18H17(PR3)10]+ nanoclusters via intramolecular interaction modulation, selectivity for CO2 electroreduction to C2H4 is significantly enhanced. The weakly coordinating ligand triggers dual‐ligand stripping (FEC2H4 = 70.59%), whereas the strongly coordinating ligand results in single‐ligand retention (FEC2H4 ...
Ziqi Chen   +8 more
wiley   +1 more source

Bond‐Competition‐Driven Enhancement of Surface Basicity and Interfacial Interaction to Boost Photocatalytic Syngas Production

open access: yesAdvanced Science, EarlyView.
A synergetic surface bond competition−hybridization approach was developed to synthesize high‐performance CO2 adsorbents and syngas production photocatalysts via the sulfurization‐driven control of surface basicity and interfacial coupling. The ZnIn2S4−sulfur‐doped MgO/MgAl2O4 nanocomposites showed outstanding photocatalytic efficiency for production ...
Dong Wook Lee   +9 more
wiley   +1 more source

Unsuccessful Coupling of Weakly Coordinating Anion–Based Mg Salts and Alkoxyalkylamine Solvents for Rechargeable Mg Battery Application: Trace Water‐Driven Interfacial Failure

open access: yesAdvanced Science, EarlyView.
Combining recently established two ground‐breaking concepts, the adoption of WCAs and the use of alkoxyalkylamine‐based solvents in electrolyte formulations for rechargeable magnesium metal batteries, has led to unexpectedly unsuccessful electrochemical Mg plating/stripping performance. Comprehensive experimental and computational analyses revealed the
Toshihiko Mandai   +4 more
wiley   +1 more source

Nanoparticle‐Mediated Bubble Suppression During Droplet Solidification for Mechanical Reinforcement

open access: yesAdvanced Science, EarlyView.
Nanoparticles mediate droplet solidification by raising nucleation temperature, refining dendrites, and slowing freezing‐front advance, thereby suppressing trapped air bubbles in droplet‐based 3D printing. This strategy reduces bubble volume fraction by ∼35% and increases compressive strength by up to 39%, offering a low‐cost route to stronger printed ...
Runmiao Gao   +10 more
wiley   +1 more source

Robust Photocatalytic Hydrogen Evolution Over a Conjugated Metal‐Organic Framework Heterojunction

open access: yesAdvanced Science, EarlyView.
We report a conjugated coordination polymer, Cd‐TMT (TMT = 1,3,5‐trimercaptotriazine), featuring an intrinsic molecular‐level charge transport network. The conjugated TMT ligands facilitate strong intra‐ligand charge transfer, while their ordered π‐π stacking along the [111] direction establishes a continuous pathway for directional electron migration,
Chunzhe Wang   +6 more
wiley   +1 more source

Further Evidences for the Sulfur Spillover on Carbon: Thermodynamic Aspects and Effects on Li‐S Solid‐State Batteries

open access: yesAdvanced Science, EarlyView.
ABSTRACT This study investigates sulfur spillover, the spontaneous and rapid spread of sulfur over carbon surfaces at ambient temperature. The process is studied by small‐angle X‐ray scattering (SAXS), X‐ray radiography, and microcalorimetry from which a number of physicochemical properties are derived.
Francesco Piccolo   +9 more
wiley   +1 more source

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