Results 231 to 240 of about 1,552,843 (326)

Active Learning‐Driven Discovery of Sub‐2 Nm High‐Entropy Nanocatalysts for Alkaline Water Splitting

open access: yesAdvanced Functional Materials, EarlyView.
High‐entropy nanoparticles (HENPs) hold great promise for electrocatalysis, yet optimizing their compositions remains challenging. This study employs active learning and Bayesian Optimization to accelerate the discovery of octonary HENPs for hydrogen and oxygen evolution reactions.
Sakthivel Perumal   +5 more
wiley   +1 more source

f‐p‐d Gradient Orbital Coupling Induced Spin State Enhancement of Atomic Fe Sites for Efficient and Stable Oxygen Reduction Reaction

open access: yesAdvanced Functional Materials, EarlyView.
The f‐p‐d (Eu─O─Fe) gradient orbital coupling induces electron delocalization and the introduced f‐band of Eu shifts the spin state of the Fe center in FePc from low‐spin to intermediate‐spin. This strategy simultaneously enhances oxygen reduction reaction (ORR) activity, reaction kinetics, and stability, resulting in superior ORR performance and ...
Ruiqi Cheng   +7 more
wiley   +1 more source

Self‐Poled Halide Perovskite Ruddlesden‐Popper Ferroelectric‐Photovoltaic Semiconductor Thin Films and Their Energy Harvesting Properties

open access: yesAdvanced Functional Materials, EarlyView.
Low‐dimensional halide perovskite thin films, (BA)2(MA)n‐1PbnBr3n+1 (n = 1, 2), exhibit both semiconducting and ferroelectric properties, enabling mechanical and light energy harvesting. Using Cr/Cr₂O₃ or PCBM as barrier layers ensures reproducible ferroelectricity.
Raja Sekhar Muddam   +8 more
wiley   +1 more source

DFT study on Al/Sn-decorated arsenene: chemical bonding and adsorption of hexanal. [PDF]

open access: yesRSC Adv
Muhammad I   +9 more
europepmc   +1 more source

Oxygen Defect Engineering of Hexagonal Perovskite Oxides to Boost Catalytic Performance for Aerobic Oxidation of Sulfides to Sulfones

open access: yesAdvanced Functional Materials, EarlyView.
Ru‐substituted hexagonal perovskite SrMnO3, featuring face‐shared oxygen species, is designed as an effective heterogeneous catalyst for the aerobic oxidation of sulfides. The catalyst demonstrates high selectivity to sulfones (>99%) under mild reaction conditions (≥30 °C). Ru substitution promotes oxygen vacancy formation of face‐shared oxygen species
Keiju Wachi   +5 more
wiley   +1 more source

Turning on Selective H2S Gas Sensing Activity in Ternary Nickel Tungstate Strongly Correlated Electron System Through Sub‐Gap Band Manipulation

open access: yesAdvanced Functional Materials, EarlyView.
A strongly correlated electron system (SCES) exhibits pronounced insulating behavior due to Coulombic repulsion between cations, which generates a charge gap. This study investigates the tuning of the band structure in NiWO4‐based SCES via Cu doping at substitutional sites and Li doping at interstitial sites.
Seung Yong Lee   +18 more
wiley   +1 more source

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