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To realize a sustainable energy transition, water electrolysis-particularly proton exchange membrane water electrolysis (PEMWE)-holds significant promise. However, practical deployment is hindered by the cost and instability of the anode catalyst, IrO. Recent studies indicate that tuning the Ir─O bond distance, via doping or composite formation, is key to enhancing the oxygen evolution reaction (OER) performance of IrO-based electrocatalysts. Herein, a hybrid-phase Ti-incorporated IrO electrocatalyst is developed, exhibiting outstanding OER activity (298.8 mV at 100 mA cm) and stability over 25 h. This improvement originates from asymmetric interatomic interactions introduced by Ti, as revealed by combined experimental X-ray analyses and theoretical modeling. Ti incorporation induces tensile strain along the z-axis in IrO motifs, effectively reducing the average Ir─O bond distance and thereby enhancing OER activity. In situ X-ray absorption spectroscopy further confirms that at 1.5 V (vs. RHE), the elongated Ir─O bond facilitates ─OOH* intermediate formation while suppressing Ir dissolution, contributing to superior stability. These findings underscore the critical role of Ir─O bond engineering in balancing activity and durability, offering strategic insights for the rational design of high-performance OER catalysts for renewable energy technologies.
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http://dx.doi.org/10.1002/smll.202503601 | DOI Listing |
Chem Commun (Camb)
September 2025
INSA Rouen Normandie, Univ Rouen Normandie, Univ Caen Normandie, ENSICAEN, CNRS, Institut CARMeN (UMR 6064), F-76000 Rouen, France.
While synthetic developments for the synthesis of trifluoromethoxylated arenes have flourished over the years, the cleavage of a C-OCF bond remains a niche topic and a synthetic challenge to overcome. This review provides an overview of major advances made in activating a strong aryl C-OCF bond, enabling C-C, C-H, and C-Heteroatom bond formations. These advances underscore the transformative potential of further developments in this emerging field.
View Article and Find Full Text PDFJ Comput Chem
September 2025
Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie, Leipzig University, Leipzig, Germany.
We investigated primary and secondary geometric isotope effects (H, D, T) on charge-inverted hydrogen bonds (CIHB) and dihydrogen bonds (DHB) using nuclear-electronic orbital density functional theory (NEO-DFT). The dianionic but electrophilic boron cluster [BH] served as a bonding partner, exhibiting a negatively polarized hydrogen atom in the BH bond. CIHB systems included interactions with Lewis acids (AlH, BH, GaH) and carbenes (CF, CCl, CBr), while DHBs were analyzed with NH, HF, HCl, and HBr.
View Article and Find Full Text PDFOrg Biomol Chem
September 2025
Universidad de Córdoba, Grupo de Química Computacional, Facultad de Ciencias Básicas, Carrera 6, No. 77-305, Montería-Córdoba, Colombia.
This study explores the photochemical conversion of BN-Dewar benzene into BN-benzvalene derivatives, offering a strategic route to heteroatom-containing valence isomers with distinctive electronic properties. Using time-dependent density functional theory (TD-DFT) and electron localization function (ELF) analyses, the excited-state mechanism and associated structural rearrangements were elucidated. Vertical excitation to the S state was found to weaken the CC and B-N bonds while strengthening the N-Si bond in silyl-substituted derivatives, a key factor enabling efficient BN-benzvalene formation.
View Article and Find Full Text PDFBiophys J
September 2025
Key Laboratory of Hydrodynamics (Ministry of Education), Department of Engineering Mechanics, School of Ocean and Civil Engineering, Shanghai Jiao Tong University, Shanghai 200240, China. Electronic address:
The interplay between subcellular adhesion dynamics and cellular-scale deformations under shear flow drives key physiological and pathological processes. While both bond kinetics and fluid-cell interactions have been extensively studied in rolling adhesion, how bond characteristics quantitatively determine cellular velocity distributions remains unclear. In this study, we systematically investigate how force-free bond kinetics and intrinsic mechanical properties govern rolling adhesion dynamics, using macroscopic velocity distributions as a reference.
View Article and Find Full Text PDFOrg Lett
September 2025
Faculty of Life Science and Technology, Kunming University of Science and Technology, Kunming 650500, P. R. China.
A visible-light-induced cascade annulation of -cyanamide alkenes with unsaturated α-halogenocarbonyls for the facile synthesis of piperidino-quinazolinone derivatives has been developed. This transformation simultaneously constructs three C-C bonds, one C-N bond, and three cyclic structures through a cascade process involving alkyl radical addition to alkene followed by three radical annulations. The reaction proceeds under mild conditions and demonstrates a high bond-forming efficiency.
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