Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy, Год журнала: 2025, Номер 332, С. 125831 - 125831
Опубликована: Янв. 31, 2025
Язык: Английский
Advanced Composites and Hybrid Materials, Год журнала: 2025, Номер 8(1)
Опубликована: Фев. 1, 2025
Язык: Английский
Процитировано
12
Nature Communications, Год журнала: 2025, Номер 16(1)
Опубликована: Янв. 2, 2025
Язык: Английский
Процитировано
8
Journal of the American Chemical Society, Год журнала: 2025, Номер unknown
Опубликована: Янв. 8, 2025
Atomically precise metal nanoclusters (NCs) have emerged as an intriguing class of model catalysts for electrochemical CO2 reduction reactions (CO2RR). However, the interplay between interface environment (e.g., potential, cation concentration) and electron–proton transfer (ET/PT) kinetics─particularly in alkynyl-protected NCs─remains poorly understood. Here, we combined first-principles simulations experiments to investigate role potential effect on CO2RR performance a prototype all-alkynyl-protected Ag15(C≡C–CH3)+ cluster. Our revealed that applied triggers elimination alkynyl ligand via sequentially breaking two π-type Ag–C bonds one σ-type bond expose catalytically active Ag sites, barrier breakage monotonically decreases with lowering potential. Furthermore, show introducing inner-sphere Na+ ions greatly enhances *CO2 activation promotes proton generate *COOH *CO by forming Na+–CO2(*COOH) complexes, while competitive hydrogen evolution reaction (HER) from water dissociation is suppressed, thus dramatically improving selectivity electroreduction. The measurements further validated our predictions, where CO Faradaic efficiency (FECO) current density (jCO) pronounced dependence concentration. At optimal concentration 0.1 M NaCl, FECO can reach up ∼96%, demonstrating crucial cations promoting CO2RR. findings provide vital insights into atomic-level mechanism Ag15 NCs highlight important electrolyte governing electron/proton kinetics.
Язык: Английский
Процитировано
3
Computational and Theoretical Chemistry, Год журнала: 2025, Номер 1246, С. 115102 - 115102
Опубликована: Фев. 3, 2025
Язык: Английский
Процитировано
3
Nature Water, Год журнала: 2025, Номер unknown
Опубликована: Янв. 2, 2025
Язык: Английский
Процитировано
2
Nature Communications, Год журнала: 2025, Номер 16(1)
Опубликована: Янв. 2, 2025
Flexible perovskite solar cells (F-PSCs) are appealing for their flexibility and high power-to-weight ratios. However, the fragile grain boundaries (GBs) in films can lead to stress strain cracks under bending conditions, limiting performance stability of F-PSCs. Herein, we show that film facilely achieve situ bifacial capping via introducing 4-(methoxy)benzylamine hydrobromide (MeOBABr) as precursor additive. The spontaneously formed MeOBABr layers flatten boundary grooves (GBGs), enable release mechanical at GBs during bending, rendering enhanced robustness. They also contribute reduction residual passivation surface defects film. Besides, molecular polarity result band favors interfacial charge extraction. corresponding inverted F-PSCs based on nickel oxide (NiOx)/poly(triaryl amine) (PTAA) hole transport bilayer reach a 23.7% power conversion efficiency (PCE) (22.9% certified) AM 1.5 G illumination 42.46% PCE 1000 lux indoor light illumination. Meanwhile, robust durability device is achieved. flexible limited by films. Here, authors in-situ demonstrate stable devices with maximum 23.7%.
Язык: Английский
Процитировано
2
Energy storage materials, Год журнала: 2025, Номер 75, С. 104006 - 104006
Опубликована: Янв. 5, 2025
Язык: Английский
Процитировано
2
Materials Chemistry Frontiers, Год журнала: 2025, Номер unknown
Опубликована: Янв. 1, 2025
The synergistic role of lone pair electrons and rattling vibrations in inducing low lattice thermal conductivity excellent thermoelectric performance the BaCaPb compound are elucidated with a two-channel model.
Язык: Английский
Процитировано
2
Energy Storage, Год журнала: 2025, Номер 7(1)
Опубликована: Янв. 12, 2025
ABSTRACT The hypothesis of the energy adsorption phenomenon was confirmed by density distributions CDD, TDOS, and LOL for GaN ternary alloys AlGaN InGaN. Based on excessive growth technique doping manganese is a potential approach to designing high‐efficiency hybrid semipolar gallium nitride–based devices in long wavelength zone. A vaster jointed area engaged an isosurface map Mn GaN, AlGaN, InGaN toward formation nanocomposites Mn@GaN–H, Mn@AlGaN–H, Mn@InGaN–H after hydrogen due labeling atoms N(4), Mn(5), H (18), respectively. Therefore, it can be considered that functionalized Mn@GaN, Mn@AlGaN, or Mn@InGaN might have more impressive sensitivity admitting electrons status adsorption. Furthermore, are potentially advantageous certain high‐frequency applications requiring batteries storage. advantages over include its higher electron hole mobility, allowing operate at frequencies than nondoping devices. comprehensive investigation grabbing heteroclusters Mn‐doped carried out using DFT computations. position states evaluated via spectra obtained from bipolar with GaN/AlGaN/InGaN as active layer.
Язык: Английский
Процитировано
2
Inorganic Chemistry, Год журнала: 2025, Номер unknown
Опубликована: Янв. 14, 2025
Three cases of aminobenzoic acid hybrid polyoxotungstates, Na3(H3O)2[(HPW6O21) (O2CC6H4NH2)3]·7H2O (1), K2(H3O)4[(AsW6O21)(O2CC6H4NH2)3]·4H2O (2), and [(H2N(CH3)2]3Na2(H3O)[(SbW6O21) (3), were successfully synthesized. This is the first report successful assembly hexanuclear {XW6} (X = HPIII, AsIII, or SbIII) clusters organic carboxylic (para acid) ligands. All three hybrids feature a common unit composed six-membered {WO6} octahedral ring capped by one {XO3} trigonal pyramid. Furthermore, these possess an extensive three-dimensional network hydrogen bonds, which not only provide high thermal stability but also contribute to excellent proton conductive performances. Simultaneously, based on Hirshfeld partition analysis, combined with interaction between POMs water molecules, transport mechanisms highlighted.
Язык: Английский
Процитировано
2