98%
921
2 minutes
20
Photoelectron spectroscopy of microjets expanded into vacuum allows access to orbital energies for solute or solvent molecules in the liquid phase. Microjets of water, acetonitrile and alcohols have previously been studied; however, it has been unclear whether jets of low temperature molecular solvents could be realized. Here we demonstrate a stable 20 μm jet of liquid ammonia (-60 °C) in a vacuum, which we use to record both valence and core-level band photoelectron spectra using soft X-ray synchrotron radiation. Significant shifts from isolated ammonia in the gas-phase are observed, as is the liquid-phase photoelectron angular anisotropy. Comparisons with spectra of ammonia in clusters and the solid phase, as well as spectra for water in various phases potentially reveal how hydrogen bonding is reflected in the condensed phase electronic structure.
Download full-text PDF |
Source |
---|---|
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6728086 | PMC |
http://dx.doi.org/10.1021/jacs.8b10942 | DOI Listing |
RSC Adv
August 2025
Nano Electronics Device Materials Group, Research Center for Electronic and Optical Materials, National Institute for Materials Science (NIMS) 305-0044 1-1 Namiki Tsukuba Ibaraki Japan
This paper presents the results of our study on the relationship between the surface chemical states, which are influenced by ligands, and photoluminescence (PL) characteristics in cesium lead halide perovskite nanocrystals (NCs). NCs were synthesized the Ligand-Assisted Reprecipitation (LARP) and Ultrasonic-Assisted (URSOA) methods, which were able to produce NCs with and without ligands. Although both synthesis methods used similar precursor composition and processing steps, the resulting crystal structures of NCs are different.
View Article and Find Full Text PDFACS Nano
August 2025
Peter Grünberg Institut (PGI-7), Forschungszentrum Jülich GmbH, 52428 Jülich, Germany.
HfO, one of the most common materials in resistive switching devices, can stabilize in a ferroelectric orthorhombic phase, enabling two nonvolatile polarization states via oxygen displacement in the unit cell. Under certain conditions, ferroelectric and resistive switching can coexist, independently addressable, within one device. This study employs spectroscopic analysis to elucidate the role of oxygen in both switching processes.
View Article and Find Full Text PDFPhys Chem Chem Phys
August 2025
Department of Chemistry & Biochemistry, The Ohio State University, Columbus, Ohio 43210, USA.
Modeling L-edge spectra at X-ray wavelengths requires consideration of spin-orbit splitting of the 2p orbitals. We introduce a low-cost tool to compute core-level spectra that combines a spin-orbit mean-field description of the Breit-Pauli Hamiltonian with nonrelativistic excited states computed using the semi-empirical density-functional theory configuration-interaction singles (DFT/CIS) method, within the state-interaction approach. Our version of DFT/CIS was introduced recently for K-edge spectra and includes a semi-empirical correction to the core orbital energies, significantly reducing shifts that are typically required when time-dependent (TD-)DFT is applied to core-level excitations.
View Article and Find Full Text PDFNanoscale
June 2025
Department of Chemistry, University of Calgary, Calgary, Alberta T2N 1N4, Canada.
We report the production of quinary AgCuPdPtAu high-entropy-alloy (HEA) nanoparticles using the pulsed laser-induced dewetting (PLiD) technique, which is shown to be a facile approach applicable to both low- and high-melting-point metals. In addition, the atomic composition in the HEA nanoparticles can be controlled by varying the thickness of composite metal in the multi-layer thin films prior to dewetting. The instantaneous heating from the interaction of nanosecond laser pulse with metal and the ultrafast cooling rate involved in the PLiD process has uniquely positioned it as a non-equilibrium approach to facilitating the formation of HEA nanoparticles with the uniform atomic mixing of different metal elements.
View Article and Find Full Text PDFJ Phys Chem A
May 2025
Department of Chemistry & Biochemistry, The Ohio State University, Columbus, Ohio 43210, United States.
Hybrid density functionals typically provide significantly better accuracy than semilocal functionals. Conventional wisdom holds that incorporating more than 20-25% exact exchange is deleterious to thermochemical properties and should only be used as a last resort, for problems that are dominated by self-interaction error. In such cases, the Becke-Lee-Yang-Parr "half-and-half" functional (BH&H-LYP) has emerged as a go-to choice, especially in time-dependent density functional theory calculations for excitation energies.
View Article and Find Full Text PDF