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Platinum is the best electrocatalyst for the hydrogen evolution reaction (HER). Here, we demonstrate that by contact electrification of Pt nanoparticle satellites on a gold or silver core, the Fermi level of Pt can be tuned. The electronic properties of Pt in such hybrid nanocatalysts were experimentally characterized by X-ray photoelectron spectroscopy (XPS) and surface-enhanced Raman scattering (SERS) with the probe molecule 2,6-dimethyl phenyl isocyanide (2,6-DMPI). Our experimental findings are corroborated by a hybridization model and density functional theory (DFT) calculations. Finally, we demonstrate that tuning of the Fermi level of Pt results in reduced or increased overpotentials in water splitting.
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http://dx.doi.org/10.1002/anie.202301065 | DOI Listing |
Inorg Chem
September 2025
Department of Chemistry and Chemical Engineering, Heze University, Heze, Shandong 274015, China.
Transition metal (TM)-doped silicon clusters represent critical model systems for understanding nanoscale hybridization and stability mechanisms. This study provides a comprehensive analysis of structural evolution, electronic properties, and thermodynamic stability in ruthenium-doped silicon clusters (RuSi̅, = 7-11) through integrated experimental and computational approaches. Anion photoelectron spectroscopy combined with density functional theory (DFT/B3LYP), coupled-cluster theory [CCSD(T)], and bonding analyses (AdNDP, NICS, ACID) reveals charge-state-dependent structural transitions, with full Ru encapsulation emerging at = 10 for anions and = 11 for neutrals.
View Article and Find Full Text PDFACS Appl Mater Interfaces
September 2025
Leibniz-Institut für Katalyse e.V. (LIKAT), Albert-Einstein-Str. 29a, Rostock 18059, Germany.
Metal-organic frameworks (MOFs) are transformative platforms for heterogeneous catalysis, but distinguishing atomically dispersed metal sites from subnanometric clusters remains a major challenge. This often demands the integration of multiple characterization techniques, many of which either lack the resolving power to distinguish active sites from their surrounding environments (e.g.
View Article and Find Full Text PDFPhys Chem Chem Phys
September 2025
Department of Physics, Mizoram University, Aizawl-796004, India,.
It is anticipated that wide-bandgap semiconductors (WBGSs) would be useful materials for energy production and storage. A well-synthesized, yet scarcely explored, diamond-like quaternary semiconductor LiZnGeS has been considered for this work. Herein, we have employed two well-known functionals GGA and mGGA within a framework of density functional theory (DFT).
View Article and Find Full Text PDFNanoscale
September 2025
School of Chemical Engineering, Engineering Research Center of Synthetic Resin and Special Fiber, Ministry of Education, Changchun University of Technology, Changchun 130012, China.
Electronic capacitor films based on polymer matrices and inorganic nanofillers capable of storing more energy play a crucial role in advanced modern electrical industries and devices. Herein, a series of nanocomposite films composed of "core-shell-dot" BNNs-PDA@Ag hybrid structures with multiple breakdown strength enhancement mechanisms as fillers and methyl methacrylate--glycidyl methacrylate (MG) copolymers as matrices were successfully synthesized. The introduced 2D and wide-bandgap BNNs not only enhanced the breakdown strength by taking advantage of their excellent physical properties, but also further improved their energy storage properties both at ambient and elevated temperatures through the formation of deeper traps at the organic-inorganic interface.
View Article and Find Full Text PDFNanoscale
September 2025
School of Mathematics and Physics, China University of Geosciences (Wuhan), Wuhan 430074, China.
Transition metal (TM) doped boron clusters have attracted considerable attention due to their intriguing electronic structures and diverse bonding patterns. Here, we explore the structural evolution and electronic properties of anionic Pt doped boron clusters using the CALYPSO method and density functional theory (DFT) calculations. The global minimum structures exhibit a distinct morphological transition.
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