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- 实验方案
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Zirconium distribution in solution-derived BaZrO3 - YBa2Cu3O7-δ epitaxial thin films studied by X-ray photoelectron spectroscopy
摘要： Superconducting YBa2Cu3O7-δ films with different amounts of BaZrO3 nanoinclusions were deposited on SrTiO3(001) by low-fluorine chemical solution deposition with the aim of introducing artificial vortex pinning centres. The Zr concentration over the film thickness could be determined by X-ray photoelectron spectroscopy combined with Ar+ ion etching. The Zr/Y ratio has a constant behaviour in the film's bulk. Zr segregation occurs near the surface and Zr diffusion into the substrate is observed near the interface. Conversely, Sr and Ti from the substrate diffuse into the films. Y3d lineshape analysis and X-Ray Diffraction data pointed out that Ti diffusion causes the formation of Y-Ti-O based spurious phases.
关键词： Chemical solution deposition,X-ray photoelectron spectroscopy,Vortex pinning,Yttrium barium copper oxide,Barium zirconate
更新于2025-09-10 09:29:36
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Band alignment of atomic layer deposited SiO <sub/>2</sub> on (010) (Al <sub/>0.14</sub> Ga <sub/>0.86</sub> ) <sub/>2</sub> O <sub/>3</sub>
摘要： The (AlxGa1?x)2O3/Ga2O3 system is attracting attention for heterostructure ?eld effect transistors. An important device design parameter is the choice of gate dielectric on the (AlxGa1?x)2O3 and its band alignment at the heterointerface. The valence band offset at the SiO2/(Al0.14Ga0.86)2O3 heterointerface was measured using x-ray photoelectron spectroscopy. The SiO2 was deposited by atomic layer deposition (ALD) onto single-crystal β-(Al0.14Ga0.86)2O3 grown by molecular beam epitaxy. The bandgap of the SiO2 was determined by re?ection electron energy loss spectroscopy as 8.7 eV, while high resolution XPS data of the O 1s peak and onset of elastic losses were used to establish the (Al0.14Ga0.86)2O3 bandgap as 5.0 eV. The valence band offset was determined to be 1.60 ± 0.40 eV (straddling gap, type I alignment) for ALD SiO2 on β-(Al0.14Ga0.86)2O3. The conduction band offset was 2.1 ± 0.08 eV, providing for a strong electron transport restriction.
关键词： x-ray photoelectron spectroscopy,(Al0.14Ga0.86)2O3,SiO2,atomic layer deposition,conduction band offset,band alignment,valence band offset
更新于2025-09-10 09:29:36
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Reference Module in Chemistry, Molecular Sciences and Chemical Engineering || In Situ Photoelectron Spectroscopy
摘要： X-ray photoelectron spectroscopy (XPS) is based on the photoelectric effect, which is the emission of electrons from a solid, liquid, or gas once excited with photons (ultraviolet radiation or X-rays or even g-rays) of sufficient energy. XPS measured thus the occupied states. It is not the intensity of the radiation, which causes the emission, but the wavelength l, which is related with their frequency n and energy Ephoton via the relations Ephoton = hn = hc/l of the photons. The kinetic energy Ekin of such photoelectrons yields a spectrum which allows for the determination of the binding energy EB of electrons expelled from the core levels, and the binding energy of hybridized states is Ekin = Ephoton - EB - 4spectrometer; 4 is the work function of the spectrometer. relationship between measured variables in the valence band. The quantitative
关键词： X-ray photoelectron spectroscopy,photoelectric effect,binding energy,work function,valence band
更新于2025-09-10 09:29:36
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(TiO <sub/>2</sub> ) <sub/>1?x</sub> (TaON) <sub/>x</sub> Solid Solution for Band Engineering of Anatase TiO <sub/>2</sub>
摘要： Band engineering of anatase TiO2 was achieved by means of an anatase (TiO2)1?x(TaON)x (TTON) solid solution. Epitaxial thin films of TTON (0.1 ≤ x ≤ 0.9) were synthesized by nitrogen plasma-assisted pulsed laser deposition on (LaAlO3)0.3(SrAl0.5Ta0.5O3)0.7 substrates. Epitaxial growth of anatase TTON was confirmed by X-ray diffraction. The lattice constants of the TTON thin films increased with TaON content in accordance with Vegard’s law, indicating formation of a complete solid solution. The bandgaps, band alignment, and refractive indices of the TTON thin films were investigated by combination of spectroscopic ellipsometry and X-ray photoelectron spectroscopy. The bandgap of the anatase TTON systematically decreased with increasing x, mainly because of an upward shift in the valence band maximum caused by broadening of the valence band as a result of hybridization of the shallow N 2p orbital. The position of the conduction band minimum was rather insensitive to chemical composition, which makes the band alignment of anatase TTON suitable for photocatalytic water splitting with visible light. The refractive index of anatase TTON monotonically increased with an increase in x.
关键词： Epitaxial thin films,Vegard’s law,X-ray photoelectron spectroscopy,TTON solid solution,Band engineering,Photocatalytic water splitting,Spectroscopic ellipsometry,Nitrogen plasma-assisted pulsed laser deposition,Anatase TiO2
更新于2025-09-10 09:29:36
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A challenge for x-ray photoelectron spectroscopy characterization of Cu(In,Ga)Se2 absorbers: The accurate quantification of Ga/(Ga?+?In) ratio
摘要： CIGS (Cu(In,Ga)Se2) layers are among the more efficient photovoltaic absorbers for thin film solar cells and remain competitive in the worldwide landscape of solar cells devices and modules with also new emerging markets (flexible or metallic substrates, tandem, low or high band gap CIGS…). Their properties are governed by different key composition parameters, and among them the GGI ratio ([Ga]/[Ga]+[In])) which controls the gap value. Indeed, the GGI determination is an important metrological challenge at the surface of the CIGS layer, particularly before the buffer deposition. Using X-Ray Photoelectron Spectroscopy (XPS), we propose here a specific methodology to determine this ratio at the surface. In order to, a surface preparation of the CIGS by chemical treatments, combining an initial flattening by HBr:Br2:H2O etching with a finishing step performed in KCN:H2O, is implemented. This chemical engineering leads to a quasi “perfect” surface, flattened and cleared from surface oxide and selenide phase on which our XPS methodology for GGI determination is tested. The photopeaks choice to obtain the most coherent GGI ratio quantification is discussed. In particular we focus on the Ga3d-In4d region, situated in narrow binding energy domain, and discuss why this photopeak combination can be considered as the most adapted for a representative GGI determination. Quantitative fitting procedure of the Ga3d-In4d region is qualified on a reference epitaxial InxGa1-xAs layer and its implementation in the CIGS case is shown.
关键词： X-ray photoelectron spectroscopy,Surface chemical engineering,Gallium,Indium,copper indium gallium selenide,Surface composition
更新于2025-09-10 09:29:36
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Electronic wavefunctions probed by all-optical attosecond interferometry
摘要： In photoelectron spectroscopy, the ionized electron wavefunction carries information about the structure of the bound orbital and the ionic potential as well as about the photoionization dynamics. However, retrieving the quantum phase information has been a long-standing challenge. Here, we transfer the electron phase retrieval problem into an optical one by measuring the time-reversed process of photoionization—photo-recombination—in attosecond pulse generation. We demonstrate all-optical interferometry of two independent phase-locked attosecond light sources. This measurement enables us to directly determine the phase shift associated with electron scattering in simple quantum systems such as helium and neon, over a large energy range. Moreover, the strong-field nature of attosecond pulse generation resolves the dipole phase around the Cooper minimum in argon through a single scattering angle. This method may enable the probing of complex orbital phases in molecular systems as well as electron correlations through resonances subject to strong laser fields.
关键词： all-optical interferometry,electron correlations,photoelectron spectroscopy,Cooper minimum,molecular systems,electron scattering,attosecond pulse generation,quantum phase information
更新于2025-09-10 09:29:36
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Single Crystal Growth and Characterization of the Chalcopyrite Semiconductor CuInTe2 for Photoelectrochemical Solar Fuel Production
摘要： Transition metal chalcogenides are a promising family of materials for applications as photocathodes in photoelectrochemical (PEC) H2 generation. A long-standing challenge for chalcopyrite semiconductors is characterizing their electronic structure—both experimentally and theoretically—due to their relatively high energy bandgaps and spin orbit coupling (SOC), respectively. In this work, we present single crystals of CuInTe2, whose relatively small optically measured bandgap of 0.9 ± 0.03 eV enables electronic structure characterization by angle-resolved photoelectron spectroscopy (ARPES) in conjunction with first-principle calculations incorporating SOC. ARPES measurements reveal bands that are steeply dispersed in energy with a band velocity of 2.5-5.4 x 105 m/s, almost 50% of the extremely conductive material graphene. Additionally, CuInTe2 single crystals are fabricated into electrodes to experimentally determine the valence band edge energy and confirm the thermodynamic suitability of CuInTe2 for water redox chemistry. The electronic structure characterization and band edge position presented in this work provide kinetic and thermodynamic factors that support CuInTe2 as a strong candidate for water reduction.
关键词： photoelectrochemical H2 generation,electronic structure,spin orbit coupling,chalcopyrite semiconductors,band velocity,valence band edge energy,Transition metal chalcogenides,angle-resolved photoelectron spectroscopy,water redox chemistry,CuInTe2
更新于2025-09-10 09:29:36
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Study of the oxidation at the Al <sub/>2</sub> O <sub/>3</sub> /GaSb interface after NH <sub/>4</sub> OH and HCl/(NH <sub/>4</sub> ) <sub/>2</sub> S passivations and O <sub/>2</sub> plasma post atomic layer deposition process
摘要： In this work, the Al2O3/GaSb interface has been studied by x-ray photoelectron spectroscopy in order to improve interfacial and electrical properties of metal–oxide–semiconductor structures based on GaSb. First, different passivations using NH4OH or (NH4)2S were studied with a dilution of 4% and 5%, respectively, in order to reduce native oxides on the GaSb surface. Then, we considered the oxidation of the Al2O3 and GaSb surface after treatments with an oxygen (O2) plasma post atomic layer deposition (ALD) process and with post deposition annealing at different temperatures. We found that (NH4)2S passivation leads to a lower quantity of native oxides on the GaSb surface and that the O2 plasma post ALD process enables the formation of an oxygen-rich layer within the Al2O3 at the interface reducing the GaSb surface oxidation after post deposition annealing of the oxide.
关键词： x-ray photoelectron spectroscopy,(NH4)2S,post deposition annealing,Al2O3/GaSb interface,NH4OH,atomic layer deposition,O2 plasma
更新于2025-09-10 09:29:36
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Competitive metal-coordination of hexaaminotriphenylene on Cu(111) by intrinsic copper versus extrinsic nickel adatoms
摘要： The interplay between self-assembly and surface chemistry of 2,3,6,7,10,11-hexaaminotriphenylene (HATP) on Cu(111) was complementarily studied by high-resolution Scanning-Tunneling-Microscopy (STM) and X-ray Photoelectron Spectroscopy (XPS) under ultra-high vacuum conditions. To shed light on competitive metal-coordination, comparative experiments were carried out on pristine and nickel-covered Cu(111). Directly after room temperature deposition of HATP onto pristine Cu(111) self-assembled aggregates were observed by STM, while XPS indicated non-deprotonated amino groups. Annealing up to 200 °C activated the progressive single deprotonation of all amino groups as indicated by chemical shifts of both N 1s and C 1s core levels in the XP spectra. This enabled the formation of topologically diverse π-d conjugated coordination networks with intrinsic copper adatoms. The basic motif of these networks was a metal-organic trimer, where three HATP molecules were coordinated by Cu3 clusters, as corroborated by accompanying Density Functional Theory (DFT) simulations. Additional deposition of more reactive nickel atoms resulted in both chemical and structural changes with deprotonation and formation of bis(diimino)-Ni bonded networks already at room temperature. Even though fused hexagonal metal-coordinated pores were observed, extended honeycomb networks remained elusive, as tentatively explained by a restricted reversibility of these metal-organic bonds.
关键词： Scanning Tunneling Microscopy,Cu(111),metal-coordination,hexaaminotriphenylene,X-ray Photoelectron Spectroscopy
更新于2025-09-10 09:29:36
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Time-resolved photoelectron angular distributions from nonadiabatically aligned CO <sub/>2</sub> molecules with SX-FEL at SACLA
摘要： We performed time-resolved photoelectron spectroscopy of valence orbitals of aligned CO2 molecules using the femtosecond soft x-ray free-electron laser and the synchronized near-infrared laser. By properly ordering the individual single-shot ion images, we successfully obtained the photoelectron angular distributions (PADs) of the CO2 molecules aligned in the laboratory frame (LF). The simulations using the dipole matrix elements due to the time dependent density functional theory calculations well reproduce the experimental PADs by considering the axis distributions of the molecules. The simulations further suggest that, when the degrees of alignment can be increased up to ácos2 q? > 0.8, the molecular geometries during photochemical reactions can be extracted from the measured LFPADs once the accurate matrix elements are given by the calculations.
关键词： free electron laser,photoelectron spectroscopy,photoelectron angular distribution,aligned molecules
更新于2025-09-09 09:28:46