When creating a Schottky contact to suppress the leakage current of semiconductor γ-ray detectors and improve their energy resolution, it is successfully employed the fact that the formation of a Schottky barrier is determined not only by the difference in the electrode and semiconductor work functions but also affected by the semiconductor surface state. Oxygen plasma (OP) treatment has been used to modify the surface states of CdSe single crystals (SCs) prior to the Au electrode deposition, thereby creating a Schottky contact at the metal-semiconductor interface. The -type Schottky contact formation has been confirmed by the - characteristics and ultraviolet photoelectron spectroscopy analysis. X-ray photoelectron spectroscopy has shown that the stoichiometric state of the CdSe SC surface changes from a Cd-deficient (untreated surface) to a near-ideal stoichiometric (OP-treated surface). In addition, a newly formed CdSeO component has been revealed, which is beneficial for suppressing the surface leakage current. The Au/CdSe/Au radiation detector with the single-sided OP-treated surface (Schottky diode) exhibits a higher energy resolution of (23.93 ± 0.89)% for Am 59.5 keV γ-rays compared to that of the detectors without surface treatment ((44.66 ± 2.25)%). The energy resolution of the champion CdSe-based Schottky diode type γ-ray detector for Am 59.5 keV γ-rays can reach 22.72%.
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http://dx.doi.org/10.1021/acsami.4c12403 | DOI Listing |
J Mol Model
January 2025
INIFTA, DQT, Sucursal 4, C. C. 16, 1900, La Plata, Argentina.
Quantum mechanics has proved to be suitable for the study of molecular systems. In particular, the Born-Oppenheimer approximation enables one to separate the motions of electrons and nuclei. In the case of diatomic molecules, this approximation leads to the so-called potential-energy function that provides the interaction between the two nuclei.
View Article and Find Full Text PDFJ Chem Inf Model
January 2025
Central European Institute of Technology, Masaryk University, Kamenice 5, CZ-62500 Brno, Czech Republic.
Understanding the molecular mechanisms of pore formation is crucial for elucidating fundamental biological processes and developing therapeutic strategies, such as the design of drug delivery systems and antimicrobial agents. Although experimental methods can provide valuable information, they often lack the temporal and spatial resolution necessary to fully capture the dynamic stages of pore formation. In this study, we present two novel collective variables (CVs) designed to characterize membrane pore behavior, particularly its energetics, through molecular dynamics (MD) simulations.
View Article and Find Full Text PDFRev Sci Instrum
January 2025
Max Planck Institute for Chemical Energy Conversion, Mülheim an der Ruhr 45470, Germany.
X-ray spectroscopies are uniquely poised to describe the geometric and electronic structure of metalloenzyme active sites under a wide variety of sample conditions. UV/Vis (ultraviolet/visible) spectroscopy is a similarly well-established technique that can identify and quantify catalytic intermediates. The work described here reports the first simultaneous collection of full in situ UV/Vis and high-energy resolution fluorescence detected x-ray absorption spectra.
View Article and Find Full Text PDFAnal Chem
January 2025
Department of Chemistry, Indiana University, 800 East Kirkwood Avenue, Bloomington, Indiana 47405, United States.
Two-dimensional infrared (2D IR) spectroscopy is a powerful technique for measuring molecular heterogeneity and dynamics with a high spatiotemporal resolution. The methods can be applied to characterize specific residues of proteins by incorporating frequency-resolved vibrational labels. However, the time scale of dynamics that 2D IR spectroscopy can measure is limited by the vibrational label's excited-state lifetime due to the decay of 2D IR absorption bands.
View Article and Find Full Text PDFSmall Methods
January 2025
Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, 1 Bethel Valley Road, Oak Ridge, TN, TN 37830, USA.
Understanding ferroelectric domain wall dynamics at the nanoscale across a broad range of timescales requires measuring domain wall position under different applied electric fields. The success of piezoresponse force microscopy (PFM) as a tool to apply local electric fields at different positions and imaging their changing position, together with the information obtained from associated switching spectroscopies has fueled numerous studies of the dynamics of ferroelectric domains to determine the impact of intrinsic parameters such as crystalline order, defects and pinning centers, as well as boundary conditions such as environment. However, the investigation of sub-coercive reversible domain wall vibrational modes requires the development of new tools that enable visualizing domain wall motion under varying applied fields with high temporal and spatial resolution while also accounting for spurious electrostatic effects.
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