We revisit the photoelectron spectroscopy of aqueous phenol in an effort to improve our understanding of the impact of inhomogeneous broadening and inelastic scattering on solution-phase photoelectron spectra. Following resonance-enhanced multiphoton ionisation via the 11ππ* and 11πσ* states of phenol, we observe 11ππ*-D0/D1 ionisation and competing direct S0-D0/D1 ionisation. Following resonance-enhanced multiphoton ionisation via the 21ππ* state, we observe the signature of solvated electrons. By comparing the photoelectron spectra of aqueous phenol with those of gas-phase phenol, we find that inelastic scattering results in peak shifts with similar values to those that have been observed in photoelectron spectra of solvated electrons, highlighting the need for a robust way of deconvoluting the effect of inelastic scattering from liquid-phase photoelectron spectra. We also present a computational strategy for calculating vertical ionisation energies using a quantum-mechanics/effective fragmentation potential (QM/EFP) approach, in which we find that optimising the configurations obtained from molecular dynamics simulations and using the [phenol·(H2O)5]QM[(H2O)n≥250]EFP (B3LYP/aug-cc-pvdz) method gives good agreement with experiment.
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Polymers (Basel)
December 2024
Shaanxi Collaborative Innovation Center of Industrial Auxiliary Chemistry and Technology, Shaanxi University of Science and Technology, Xi'an 710021, China.
This study introduces a novel water-insoluble dispersant for coal water slurry (CWS), namely, a poly(sodium styrene sulfonate)- SiO nanoparticle (SiO--PSSNa). SiO--PSSNa was synthesized by combining the surface acylation reaction with surface-initiated atom transfer radical polymerization (SI-ATRP). Fourier transform infrared spectrometry (FTIR), X-ray photoelectron spectroscopy (XPS), energy dispersive spectrometer (EDS), nuclear magnetic resonance spectroscopy (NMR) and thermogravimetric analysis (TGA) verified that SiO--PSSNa with the desired structure was successfully obtained.
View Article and Find Full Text PDFNanomaterials (Basel)
December 2024
Institute of Physics, Polish Academy of Sciences, 02-668 Warsaw, Poland.
A Scanning Photoelectron Microscopy (SPEM) experiment has been applied to ZnO:N films deposited by Atomic Layer Deposition (ALD) under O-rich conditions and post-growth annealed in oxygen at 800 °C. spatial resolution (130 nm) allows for probing the electronic structure of single column of growth. The samples were cleaved under ultra-high vacuum (UHV) conditions to open atomically clean cross-sectional areas for SPEM experiment.
View Article and Find Full Text PDFJ Chem Phys
January 2025
Department of Chemistry, Faculty of Science, Kyushu University, 744 Motooka, Nishi-ku, Fukuoka 819-0395, Japan.
We present velocity-map imaging (VMI) of photoelectrons detached from anions using an optical parametric amplifier operating at a repetition rate as high as 100 kHz. The light source generates femtosecond (fs) laser pulses tunable from near-infrared to ultraviolet (310-2600 nm), which interact synchronously with mass-selected anion bunches. We demonstrate this technique by measuring two-dimensional projections of photoelectrons ejected from silver trimer anions, Ag3-, across a photon energy range from 2.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
January 2025
Korea University, Chemistry, 145 Anam-ro, 02841, Seoul, KOREA, REPUBLIC OF.
Quantifying the number of active sites is a crucial aspect in the performance evaluation of single metal-atom electrocatalysts. A possible realization is using adsorbing gas molecules that selectively bind to the single-atom transition metal and then probing their surface density using spectroscopic tools. Herein, using in situ X-ray photoelectron (XPS) and near edge X-ray absorption fine structure (NEXAFS) spectroscopy, we detect adsorbed CO gas molecules on a FeNC oxygen reduction single atom catalyst.
View Article and Find Full Text PDFSmall
January 2025
School of Chemical and Environmental Engineering, Shanghai Institute of Technology, 100 Haiquan Road, Shanghai, 201418, China.
How to improve the stability and activity of metal-organic frameworks is an attractive but challenging task in energy conversion and pollutant degradation of metal-organic framework materials. In this paper, a facile method is developed by fabricating titanium dioxide nanoparticles (TiO NPs) layer on 2D copper tetracarboxylphenyl-metalloporphyrin metal-organic frameworks with zinc ions as the linkers (ZnTCuMT-X, "Zn" represented zinc ions as the linkers, the first "T" represented tetracarboxylphenyl-metalloporphyrin (TCPP), "Cu" represented the Cu coordinated into the porphyrin macrocycle, "M" represented metal-organic frameworks, the second "T" represented TiO NPs layer, and "X" represented the added volume of n-tetrabutyl titanate (X = 100, 200, 300 or 400)). It is found that the optimized ZnTCuMT-200 showed greatly and stably enhanced H generation, which is ≈28.
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