Mobility Gaps of Hydrogenated Amorphous Silicon Related to Hydrogen Concentration and Its Influence on Electrical Performance.

This paper presents a comprehensive study of hydrogenated amorphous silicon (a-Si)-based detectors, utilizing electrical characterization, Raman spectroscopy, photoemission, and inverse photoemission techniques. The unique properties of a-Si have sparked interest in its application for radiation detection in both physics and medicine. Although amorphous silicon (a-Si) is inherently a highly defective material, hydrogenation significantly reduces defect density, enabling its use in radiation detector devices.

Dosimetry of microbeam radiotherapy by flexible hydrogenated amorphous silicon detectors.

Detectors that can provide accurate dosimetry for microbeam radiation therapy (MRT) must possess intrinsic radiation hardness, a high dynamic range, and a micron-scale spatial resolution. In this work we characterize hydrogenated amorphous silicon detectors for MRT dosimetry, presenting a novel combination of flexible, ultra-thin and radiation-hard features.Two detectors are explored: an n-type/intrinsic/p-type planar diode (NIP) and an NIP with an additional charge selective layer (NIP + CSC).

Controlling On-Surface Photoactivity: The Impact of π-Conjugation in Anhydride-Functionalized Molecules on a Semiconductor Surface.

On-surface synthesis has become a prominent method for growing low-dimensional carbon-based nanomaterials on metal surfaces. However, the necessity of decoupling organic nanostructures from metal substrates to exploit their properties requires either transfer methods or new strategies to perform reactions directly on inert surfaces. The use of on-surface light-induced reactions directly on semiconductor/insulating surfaces represents an alternative approach to address these challenges.

Characterization of a flexible a-Si:H detector for in vivo dosimetry in therapeutic x-ray beams.

Background: The increasing use of complex and high dose-rate treatments in radiation therapy necessitates advanced detectors to provide accurate dosimetry. Rather than relying on pre-treatment quality assurance (QA) measurements alone, many countries are now mandating the use of in vivo dosimetry, whereby a dosimeter is placed on the surface of the patient during treatment. Ideally, in vivo detectors should be flexible to conform to a patient's irregular surfaces.

Doping dependent intrinsic magnetization in silicon in Ni/Si heterostructures.

This investigation delves into the complex interaction at metal-semiconductor interfaces, highlighting the magnetic proximity effect in Ni/Si interfaces through systematic X-ray magnetic circular dichroism (XMCD) studies at Ni and Si edges. We analyzed two Ni/Si heterostructures with differing semiconductor doping, uncovering a magnetic proximity effect manifesting as equilibrium magnetization in the semiconductor substrate induced by the adjacent Ni layer. Our results display distinct magnetization signs corresponding to the doping levels: low-doped samples show parallel alignment to the Ni layer, while high-doped samples align antiparallel, indicating a nuanced interplay of underlying magnetization mechanisms.

Spin-dependent charge transmission through chiral 2T3N self-assembled monolayer on Au.

A gold surface is functionalized by chemisorption of the enantiopure N,N'-bis-[2,2';5',2″]tert-thiophene-5-yl methylcyclohexane-1,2-diamine (2T3N), a chiral oligothiophene derivative, via overnight incubation in a 2T3N ethanol solution. The Au|2T3N interface is characterized by x-ray photoelectron circular dichroism and comparing x-ray photoemission spectroscopy and electro-desorption results. Charge transmission at the Au|2T3N| solution interface is characterized by recording the cyclic voltammetry of the Fe(III)/Fe(II) reversible redox couple, finding a charge transfer rate constant, k°, variation from 1 × 10-1 to 3.

Hydrogenated amorphous silicon high flux x-ray detectors for synchrotron microbeam radiation therapy.

. Microbeam radiation therapy (MRT) is an alternative emerging radiotherapy treatment modality which has demonstrated effective radioresistant tumour control while sparing surrounding healthy tissue in preclinical trials. This apparent selectivity is achieved through MRT combining ultra-high dose rates with micron-scale spatial fractionation of the delivered x-ray treatment field.

Adsorption and Dissociation of -Methyl -Tolyl Sulfoxide on Au(111).

Sulfur-based molecules producing self-assembled monolayers on gold surfaces have long since become relevant functional molecular materials with many applications in biosensing, electronics, and nanotechnology. Among the various sulfur-containing molecules, the possibility to anchor a chiral sulfoxide to a metal surface has been scarcely investigated, despite this class of molecules being of great importance as ligands and catalysts. In this work, ()-(+)-methyl -tolyl sulfoxide was deposited on Au(111) and investigated by means of photoelectron spectroscopy and density functional theory calculations.

High-Resolution Photoemission Study of Neutron-Induced Defects in Amorphous Hydrogenated Silicon Devices.

In this paper, by means of high-resolution photoemission, soft X-ray absorption and atomic force microscopy, we investigate, for the first time, the mechanisms of damaging, induced by neutron source, and recovering (after annealing) of p-i-n detector devices based on hydrogenated amorphous silicon (a-Si:H). This investigation will be performed by mean of high-resolution photoemission, soft X-Ray absorption and atomic force microscopy. Due to dangling bonds, the amorphous silicon is a highly defective material.

Ion Chemistry of Carbon Dioxide in Nonthermal Reaction with Molecular Hydrogen.

The exothermic hydrogen transfer from H to CO leading to H and HCO is investigated in a combined experimental and theoretical work. The experimental mass/charge ratios of the ionic product (HCO) and the ionic reactant (CO) are recorded as a function of the photoionization energy of the synchrotron radiation. Theoretical density functional calculations and variational transition state theory are employed and adapted to analyze the energetic and the kinetics of the reaction, which turns out to be barrierless and with nonthermal rate coefficients controlled by nonstatistical processes.

Fragmentation dynamics of doubly charged camphor molecule following C 1s Auger decay.

The fragmentation dynamics of the gas-phase, doubly charged camphor molecule, formed by Auger decay following carbon 1s ionisation, using soft X-ray synchrotron radiation, is presented in this work. The technique of velocity map imaging combined with a photoelectron-photoion-photoion coincidence (VMI-PEPIPICO) is used for both electron energy and ion momentum (in-sequence) measurements. The experimental study is complemented by molecular dynamics simulation, performed with an (moles, volume, and temperature) ensemble.

The Reaction of Sulfur Dioxide Radical Cation with Hydrogen and its Relevance in Solar Geoengineering Models.

SO has been proposed in solar geoengineering as a precursor of H SO aerosol, a cooling agent active in the stratosphere to contrast climate change. Atmospheric ionization sources can ionize SO into excited states of , which quickly reacts with trace gases in the stratosphere. In this work we explore the reaction of with excited by tunable synchrotron radiation, leading to ( ), where H contributes to O depletion and OH formation.

Charge Exchange Dominates Long-Range Interatomic Coulombic Decay of Excited Metal-Doped Helium Nanodroplets.

Atoms and molecules attached to rare-gas clusters are ionized by an interatomic autoionization process traditionally termed "Penning ionization" when the host cluster is resonantly excited. Here we analyze this process in the light of the interatomic Coulombic decay (ICD) mechanism, which usually contains a contribution from charge exchange at a short interatomic distance and one from virtual photon transfer at a large interatomic distance. For helium (He) nanodroplets doped with alkali metal atoms (Li, Rb), we show that long-range and short-range contributions to the interatomic autoionization can be clearly distinguished by detecting electrons and ions in coincidence.

A Fast Transient Absorption Study of Co(AcAc).

The study of transition metal coordination complexes has played a key role in establishing quantum chemistry concepts such as that of ligand field theory. Furthermore, the study of the dynamics of their excited states is of primary importance in determining the de-excitation path of electrons to tailor the electronic properties required for important technological applications. This work focuses on femtosecond transient absorption spectroscopy of Cobalt tris(acetylacetonate) (Co(AcAc)) in solution.

Fast beam monitor diamond-based devices for VUV and X-ray synchrotron radiation applications.

The improved performance of third-generation light sources and the advent of next-generation synchrotron radiation facilities require the use of extremely precise monitoring of the main photon-beam parameters, such as position, absolute and relative intensity, and temporal structure. These parameters, and associated real-time feedbacks, are fundamental at the beamline control level and at the machine control level, to improve the stability of the photon beams and to provide bunch-to-bunch quantitative information. Fast response time, high radiation hardness and visible-blind response are main features of photon-beam monitors for VUV and X-ray synchrotron radiation beamlines; hence diamond-based detectors are outstanding candidates.

Photofragmentation of halogenated pyrimidine molecules in the VUV range.

In the present work, we studied the photoinduced ion chemistry of the halogenated pyrimidines, a class of prototype radiosensitizing molecules, in the energy region 9-15 eV. The work was stimulated by previous studies on inner shell site-selective fragmentation of the pyrimidine molecule, which have shown that the fragmentation is governed by the population/formation of specific ionic states with a hole in valence orbitals, which in turn correlate to accessible dissociation limits. The combined experimental and theoretical study of the appearance energies of the main fragments provides information on the geometric structure of the products and on the role played by the specific halogen atom and the site of halogenation in the dissociation process.

Conformational sensitivity in photoelectron circular dichroism of 3-methylcyclopentanone.

A study of (R)-3-methylcyclopentanone [(R)-3-MCP] by photoelectron spectroscopy and photoelectron circular dichroism (PECD) is presented. The synchrotron radiation gas-phase photoelectron spectra of (R)-3-MCP were measured and are discussed on the basis of different theoretical methodologies. The experimental dichroism of (R)-3-MCP for selected deconvoluted valence states and for the carbonyl carbon 1s core state are reported and reproduced well by calculated dispersions generated by considering the contributions of two different conformers.

Resonant circular dichroism of chiral metal-organic complex.

A sizable enhancement of the circular dichroism in photoelectron spectroscopy has been measured and computed for the metal complex Δ-cobalt(III) tris-acetylacetonate highest occupied molecular orbital state in the region of the Co 3p→3d Fano resonance. In the resonance the dichroism reaches the maximum value of 5% and even changes its sign as compared to the direct photoionization channel. We ascribe this enhancement to electron correlation processes, namely, with the coupling between discrete excitations and the continuum, which is correctly described in the time dependent density functional theory (TDDFT) framework.

The valence electronic structure and conformational flexibility of epichlorohydrin.

The electronic structure of epichlorohydrin is investigated in the whole valence region by a combined experimental and theoretical study. The issue of controversial assignments of the molecular electronic structure is here addressed. Photoelectron spectra (PES) and Threshold Photoelectron spectra (TPES) of room temperature molecules in the gas phase are recorded.

Chirality transfer from a single chiral molecule to 2D superstructures in alaninol on the Cu(100) surface.

The formation of 2D chiral monolayers obtained by self-assembly of chiral molecules on surfaces has been widely reported in the literature. Control of chirality transfer from a single molecule to surface superstructures is a challenging and important aspect for tailoring the properties of 2D nanostructures. However, despite the wealth of investigations performed in recent years, how chiral transfer takes place on a large scale still remains an open question.

Conformational effects in photoelectron circular dichroism of alaninol.

A photoelectron circular dichroism (CD) study of the valence states of 2-amino-1-propanol (alaninol) in the gas phase is presented. The aim of the investigation is to reveal conformer population effects in the valence-state photoelectron spectrum. The experimental dispersion of the dichroic D parameter of valence states as a function of the photon excitation energy is compared with its theoretical value calculated by employing a multicentric basis set of B-spline functions and a Kohn-Sham Hamiltonian.

D-alaninol adsorption on Cu(100): photoelectron spectroscopy and first-principles calculations.

The adsorption of a single molecule of the D-enantiomer of alaninol (2-amino-1-propanol) on the surface of Cu(100) is investigated through density functional theory calculations. Different possible adsorption sites for D-alaninol are tested, and it is found that the most stable configuration presents both amino and hydroxyl group covalently interacting with "on top" copper atoms. The electronic structure is analyzed in detail and compared with experimental photoelectron spectra.

2-amino-1-propanol versus 1-amino-2-propanol: valence band and C 1s core-level photoelectron spectra.

Valence band and C 1s core-level photoelectron spectra of S-(+)-2-amino-1-propanol (alaninol) and S-(+)-1-amino-2-propanol (isopropanolamine) have been studied by means of synchrotron radiation photoelectron spectroscopy in gas phase. The alaninol, the reduced derivative of the alanine, is a good test system of amino acid-like structures. The isopropanolamine, presenting the inversion of the two functional groups of the alaninol at the chiral carbon, offers the opportunity to study the effect of -OH and -NH(2) structural position on the photoelectron spectra.

Vibrational state dependence of beta and D asymmetry parameters: the case of the highest occupied molecular orbital photoelectron spectrum of methyl-oxirane.

The beta angular asymmetry and D dichroic asymmetry parameters of the methyl-oxirane highest occupied molecular orbital (HOMO) band have been experimentally investigated with vibrational resolution using synchrotron radiation. A theoretical calculation of the Franck-Condon factors between vibrational ground state and different ionic vibrational states, in the Born-Oppenheimer harmonic approximation, has been performed in order to gain information on the vibrational states mainly involved in the HOMO photoelectron band. The general good agreement between theoretical and experimental results allows a reliable assignment of the major features.