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Determination of nanoscale titanium oxide thin film phase composition using X-ray photoelectron spectroscopy valence band analysis
摘要： The phase compositions of nanoscale thick titania films on the titanium were determined using X-ray photoelectron spectroscopy valence band analysis for the first time, by deconvoluting the two-peak structure of valence band into five peaks and analysing the relative peak area. The titania films of thickness varying from about 2 nm to 8 μm were obtained by the air oxidation of commercially pure titanium at different temperatures. The titania films formed on titanium for oxidizing temperatures up to 200 °C were amorphous, with thickness < 10 nm. The sub-stoichiometric oxides present at the TiO2-Ti interface were composed of Ti3+, Ti2+ and Ti1+ states when the film of thickness was < 10 nm. At 300 °C, when the titania film thickness was < 20 nm, it was fully converted to rutile phase and remained stable up to 1000 °C. A broadening of full-width half-maxima of the core level peaks for the titania layers was attributed to the presence of surface hydroxyl group and stress gradient within the oxide layer. The absence of metastable anatase phase in the titania layers at lower temperatures was attributed to the presence of high stresses within the oxide layers owing to their nanoscale thickness.
关键词： X-ray Photoelectron Spectroscopy,Thin film,Valence band,Surface phase composition,Titania,Titanium
更新于2025-11-21 11:24:58
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Full color carbon dots through surface engineering for constructing white light-emitting diodes
摘要： White light-emitting diodes (WLEDs) devices are replacing the filament lamp and they can provide a light close to the natural sunlight, which have thus drawn considerable attention in these recent years. It remains a scientific challenge to develop WLEDs using environmentally friendly, easy-to-process and cost-effective phosphors. Here we synthesized blue-, green- and red-carbon dots (denoted as B-, G- and R-CDs) by a facile solvothermal method with high dispersity both in aqueous and organic solvent. The quantum yield (QY) of the R-CDs achieved up to 24.7%. These CDs can be easily dissolved in polyvinylpyrrolidone (PVP) colloid, leading to the production of ultraviolet (UV)-excited LED devices to avoid the retinal damage caused by blue ray excitation. The fluorescence emission of the WLED has a wide band, covering the whole visible light region. Importantly, the influence of doping that gives rise to the change of emissive colors has been elucidated by X-ray photoelectron spectroscopy (XPS) combined with a computation method in order to provide a systematic controllable tuning on the functionalization of CDs. As such, WLEDs were demonstrated with color coordinates of (0.33, 0.33), a color temperature of 5612 K in the CIE chromaticity diagram with good anti-photobleaching and a color rendering index (CRI) of 89.
关键词： polyvinylpyrrolidone,White light-emitting diodes,solvothermal method,UV-excited LED devices,density functional theory,quantum yield,X-ray photoelectron spectroscopy,carbon dots
更新于2025-11-14 15:18:02
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Generalized perspective on chiral measurements without magnetic interactions
摘要： We present a unified description of several methods of chiral discrimination based exclusively on electric-dipole interactions. It includes photoelectron circular dichroism (PECD), enantiosensitive microwave spectroscopy (EMWS), photoexcitation circular dichroism (PXCD), and photoelectron-photoexcitation circular dichroism (PXECD). We show that, in spite of the fact that the physics underlying the appearance of a chiral response is very different in all these methods, the enantiosensitive and dichroic observable in all cases has a unique form. It is a polar vector given by the product of (i) a molecular pseudoscalar and (ii) a field pseudovector specified by the configuration of the electric fields interacting with the isotropic ensemble of chiral molecules. The molecular pseudoscalar is a rotationally invariant property, which is composed from different molecule-specific vectors and in the simplest case is a triple product of such vectors. The key property that enables the chiral response is the noncoplanarity of the vectors forming such triple product. The key property that enables chiral detection without relying on the chirality of the electromagnetic fields is the vectorial nature of the enantiosensitive observable. Our compact and general expression for this observable shows what ultimately determines the efficiency of the chiral signal and if, or when, it can reach 100%. We also discuss the differences between the two phenomena, which rely on the bound states, PXCD and EMWS, and the two phenomena using the continuum states, PECD and PXECD. Finally, we extend these methods to arbitrary polarizations of the electric fields used to induce and probe the chiral response.
关键词： photoelectron-photoexcitation circular dichroism,electric-dipole interactions,field pseudovector,enantiosensitive microwave spectroscopy,photoexcitation circular dichroism,molecular pseudoscalar,chiral discrimination,photoelectron circular dichroism
更新于2025-09-23 15:23:52
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Mass Spectrometric Imaging Reveals Photocatalytic Degradation Intermediates of Aromatic Organochlorines Resulting from Interfacial Photoelectron Transfer and Hydroxyl Radical Abstraction on Semiconductor Nanoparticles
摘要： Organochlorines are highly persistent and toxic contaminants that are widely distributed and accumulated in various aquatic or soil environments as well as food chains. Heterogeneous photocatalytic degradation of such pollutants by using semiconductor nanoparticles has been recognized as one of the effective purification ways. Understanding of degradation mechanisms and designing of highly efficient semiconductor nanoparticles require structural identification of various degradation intermediates that are difficult to achieve with current spectroscopic techniques. Herein a mass spectrometric approach was developed to tackle interfacial photoelectron transfer and hydroxyl radical abstraction on different semiconductor nanoparticles. Chlorobenzenes (including hexachlorobenzene and chlorothalonil) adsorbed on the surfaces of nanoparticles were found to instantly undergo dechlorination and ring dissociation through photoelectron capture dissociation and abstraction of a chlorine atom from aromatic C-Cl bond by hydroxyl radicals. Different intermediates have been unambiguously identified with experimental evidences provided by a Q-TOF mass spectrometer. It has been demonstrated that both electron density around atoms and steric effects of side chains contribute to the site selectivity for photoelectron capture and hydroxyl radical abstraction. But the energies needed for chemical bond cleavages and the stabilization of acquired charges play important roles in degradation efficiency. By using mass spectrometric imaging, photocatalytic differences of different semiconductor nanoparticles have been revealed.
关键词： Photoelectron Capture Dissociation,Interfacial Photoelectron Transfer,Chlorobenzenes,Mass Spectrometry,Hydroxyl Radical
更新于2025-09-23 15:23:52
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Modification of TiO <sub/>2</sub> (1?1?0)/organic hole transport layer interface energy levels by a dipolar perylene derivative
摘要： Our photoemission study reveals that the work function of TiO2(1 1 0) decreases by up to 1.5 eV upon deposition of 9-(bis-(p-(tert-octyl)phenyl)amino)-perylene-3,4-dicarboxylic anhydride (BOPA-PDCA). This effect is attributed to a chemical reaction of TiO2(1 1 0) and the molecular anhydride group, as well as the molecular dipole. Analysis of the film thickness dependent photoemission and metastable atom electron spectroscopy data reveals that for low coverage the perylene backbone of BOPA-PDCA is almost parallel to the substrate surface and higher coverage leads to an orientational transition to essentially upright standing molecules. Comparing the energy-level alignment between TiO2(1 1 0) and the hole transport materials N,N′-bis(1-naphthyl)-N,N′-diphenyl-1,1′-biphenyl-4,4′-diamine (NPB) without and with the BOPA-PDCA interlayer, we find that the perylene derivative has a positive impact on the level alignment for dye-sensitized solar cells with high open-circuit voltages.
关键词： solid state dye-sensitized solar cell,titanium dioxide,energy-level alignment,ultraviolet photoelectron spectroscopy,metastable atom electron spectroscopy,perylene
更新于2025-09-23 15:23:52
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Imaging multiple Rydberg wave packets from shaper-generated two-color femtosecond pump-probe sequences
摘要： We combine a bichromatic white light polarization pulse shaping scheme with angle- and energy-resolved photoelectron spectroscopy to image the dynamics of atomic Rydberg wave packets. Background-free detection of the Rydberg dynamics is performed using shaper-generated bichromatic linearly and circularly polarized femtosecond pump-probe pulse sequences. Photoelectron momentum distributions from linearly polarized bichromatic fields feature pronounced time-, energy-, and angle-dependent dynamics, which result from the interference of s-, d-, and g-type photoelectron wave packets from the ionization of the Rydberg np and nf series. Detailed analysis of the highly differential data allows us to extract the dynamics of both Rydberg wave packets separately. The results are experimentally verified by additional pump-probe studies with bichromatic circularly polarized pulse sequences, which exclusively map the dynamics of the Rydberg nf series via g-type photoelectron wave packets.
关键词： Rydberg wave packets,pump-probe spectroscopy,photoelectron imaging,femtosecond lasers,polarization pulse shaping
更新于2025-09-23 15:23:52
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Low-damage nitrogen incorporation in graphene films by nitrogen plasma treatment: Effect of airborne contaminants
摘要： Graphene films grown on copper by chemical vapor deposition were exposed to the late afterglow of a reduced-pressure N2 plasma sustained by microwave electromagnetic fields. X-ray photoelectron and Raman spectroscopies reveal extremely high incorporation of plasma-generated N atoms into the graphene film (N/C = 29%) while maintaining an unprecedentedly low-damage generation (D:G = 0.35-0.45) compared to the literature (0.5 to 2.5). The incorporation dynamics between graphene on copper and graphene on copper oxide are also compared and discussed. After transfer on SiO2/Si substrate, the N/C content decrease to only 6%. This reveals that a large part of the N atoms are weakly bonded to the graphene surface. Most of the nitrogen incorporation seems linked to the functionalization of weakly bonded hydrocarbons initially adsorbed from air exposure or carbon-nitrogen structures arising from plasma-surface interactions.
关键词： X-Ray photoelectron spectroscopy,Raman spectroscopy,graphene,downstream plasma treatment,N-incorporation
更新于2025-09-23 15:23:52
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Electronic Structure of Chlorophyll a Solution Investigated by Photoelectron Yield Spectroscopy
摘要： Various bio-related processes are driven by electron transfer reactions. Therefore the electronic structures of bio-molecules in their living environment are keys of their functionalities. One significant example photosynthesis which has attracted much attention due to urgent necessity of clean energy source. In this study, we carried out photoelectron yield spectroscopy (PYS) measurements to demonstrate the electronic structures of oligomerizedChl-a molecules, which is known as an essential reaction center of the photosystem in general green plants, under the atmospheric environment. The ionization energies of the Chl-a aggregates are successfully derived.
关键词： Photoelectron Yield Spectroscopy,Polarization energy,Light harvesting antenna,Photosynthesis,Photosystem,Electronic structure,Ionization energy,Reaction center,Chlorophyll a
更新于2025-09-23 15:23:52
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Characterizing the ellipticity of an isolated attosecond pulse
摘要： We propose and theoretically demonstrate a single-shot measurement method to measure the ellipticity of an isolated attosecond pulse (IAP). By solving the time-dependent Schr?dinger equation, we calculate the photoelectron momentum distributions (PMDs) from strong field ionization of argon in an arbitrary polarized IAP streaked with a linearly polarized infrared pulse. It is shown that the ellipticity of the IAP is encoded in the PMDs. A linear relation between the angular shift of the three main lobes of the PMDs and the ellipticity of the IAP is obtained, which provides an efficient and robust way for characterizing the ellipticity of the IAP.
关键词： Photoelectron momentum distribution,Attosecond pulse,Elliptically polarized
更新于2025-09-23 15:23:52
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Chemical Analysis of the Interface between Hybrid Organic-Inorganic Perovskite and Atomic Layer Deposited Al2O3
摘要： Ultrathin metal oxides prepared by atomic layer deposition (ALD) have gained utmost attention as moisture and thermal stress barrier layers in perovskite solar cells (PSCs). We have recently shown that 10 cycles of ALD Al2O3 deposited directly on top of the CH3NH3PbI3-xClx perovskite material, are effective in delivering a superior PSC performance with 18% efficiency (compared to 15% of the Al2O3-free cell) with a long-term humidity-stability of more than 60 days. Motivated by these results, the present contribution focuses on the chemical modification which the CH3NH3PbI3-xClx perovskite undergoes upon growth of ALD Al2O3. Specifically, we combine in situ Infrared (IR) spectroscopy studies during film growth, together with X-ray Photoelectron Spectroscopy (XPS) analysis of the ALD Al2O3/perovskite interface. The IR-active signature of the NH3+ stretching mode of the perovskite undergoes minimal changes upon exposure to ALD cycles, suggesting no diffusion of ALD precursor and co-reactant (Al(CH3)3 and H2O) into the bulk of the perovskite. However, by analyzing the difference between the IR spectra associated with the Al2O3 coated perovskite and the pristine perovskite, respectively, changes occurring at the surface of perovskite are monitored. The abstraction of either NH3 or CH3NH2 from the perovskite surface is observed as deduced by the development of negative N-H bands associated to its stretching and bending modes. The IR investigations are corroborated by XPS study, confirming the abstraction of CH3NH2 from the perovskite surface, whereas no oxidation of its inorganic framework is observed within the ALD window process investigated in this work. In parallel, the growth of ALD Al2O3 on perovskite is witnessed by the appearance of characteristic IR-active Al-O-Al phonon and (OH)-Al=O stretching modes. Based on the IR and XPS investigations, a plausible growth mechanism of ALD Al2O3 on top of perovskite is presented.
关键词： infrared spectroscopy,x-ray photoelectron spectroscopy,atomic layer deposition,Al2O3,perovskite
更新于2025-09-23 15:23:52