Journal of Electron Spectroscopy and Related Phenomena最新文献_第2页

Experimental study on low-pressure and high-temperature pyrolysis of 1, 3-butadiene using synchrotron radiation and SiC flash microreactor 同步辐射与SiC闪蒸微反应器低压高温热解1,3 -丁二烯的实验研究

IF 1.8 4区物理与天体物理

Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2025-03-04 DOI: 10.1016/j.elspec.2025.147527

Jun Zhang , Jianhui Jin , Yujie Zhao , Jize Sun , Weifeng Wang

{"title":"Experimental study on low-pressure and high-temperature pyrolysis of 1, 3-butadiene using synchrotron radiation and SiC flash microreactor","authors":"Jun Zhang , Jianhui Jin , Yujie Zhao , Jize Sun , Weifeng Wang","doi":"10.1016/j.elspec.2025.147527","DOIUrl":"10.1016/j.elspec.2025.147527","url":null,"abstract":"<div><div>1,3-Butadiene is a crucial intermediate in hydrocarbon combustion and pyrolysis processes and plays a significant role as a precursor in the formation of polycyclic aromatic hydrocarbons (PAHs) and soot. This study investigates the low-pressure and high-temperature pyrolysis of 1,3-butadiene by using a newly designed silicon carbide (SiC) tubular flow microreactor, in combination with supersonic molecular beam sampling, synchrotron radiation vacuum ultraviolet single-photon ionization, and reflective time-of-flight mass spectrometry (SR-VUV-TOF-PIMS). We identified 36 pyrolysis products, ranging in mass-to-charge ratio (m/z) from 15 to 128, which included free radicals and isomeric species. The study determined the initial pyrolysis temperature of the parent compound and the initial formation temperatures of the products. Comparative analysis of our results with previous literature revealed the primary cleavage pathways in this work: 1,3-C4H6 → C2H4 + C2H2, 1,3-C4H6 → 1,2-C4H6, 1,2-C4H6 → C3H3· + CH3·, 1,3-C4H6 + C3H3· → C3H4 + C4H5·, 1,3-i-C4H5· → C4H4 + H· and 1,3-n-C4H5· → C4H4 + H·. These studies contribute valuable insights into the mechanisms of hydrocarbon combustion and pyrolysis, as well as the reference for the formation processes of PAHs and soot.</div></div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"280 ","pages":"Article 147527"},"PeriodicalIF":1.8,"publicationDate":"2025-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143551405","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Phonon effects in high-energy photoemission spectra 高能光发射光谱中的声子效应

IF 1.8 4区物理与天体物理

Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2025-02-27 DOI: 10.1016/j.elspec.2025.147525

Takashi Fujikawa, Kaori Niki

引用次数: 0

The effect of edge configurations diversity on the energy gap in MXene zigzag nanoribbons based on Ti3C2O2 and Sc3C2F2 边缘构型多样性对基于Ti3C2O2和Sc3C2F2的MXene之字形纳米带能隙的影响

IF 1.8 4区物理与天体物理

Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2025-02-26 DOI: 10.1016/j.elspec.2025.147526

M.S. Akhoundi Khezrabad , O. Soltani , A. Shokri

{"title":"The effect of edge configurations diversity on the energy gap in MXene zigzag nanoribbons based on Ti3C2O2 and Sc3C2F2","authors":"M.S. Akhoundi Khezrabad , O. Soltani , A. Shokri","doi":"10.1016/j.elspec.2025.147526","DOIUrl":"10.1016/j.elspec.2025.147526","url":null,"abstract":"<div><div>In this study, we report the band structure and energy gap of different edges of Ti3C2O2 and Sc3C2F2 zigzag nanoribbons using tight-binding approximation. Our results show that in most widths of zigzag nanoribbons, the energy gap in different edge configurations has different values even though they have the same width. In Ti3C2O2 nanoribbons, the presence of central atoms at the edge of the zigzag nanoribbon increases the band-gap and in Sc3C2F2 nanoribbon, depending on the width of the nanoribbon, the presence of central atoms or surface atoms on the edge of the nanoribbon can increase the band-gap. The maximum difference reaches 0.3 eV in Sc3C2F2 nanoribbon and 0.17 eV in Ti3C2O2 nanoribbon. The band gap depending on the edge atoms can be important for the design and use of MXene nanoribbons in electronic and optoelectronic devices.</div></div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"279 ","pages":"Article 147526"},"PeriodicalIF":1.8,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143487746","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Photoionization and electronic structure of chemical warfare agents 化学战剂的光电离和电子结构

IF 1.8 4区物理与天体物理

Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2025-02-14 DOI: 10.1016/j.elspec.2025.147523

Igor Novak

引用次数: 0

Anisotropic dispersion of excitonic bands of the single-crystal pentacene (001) surface as measured by low-energy angle-resolved high-resolution electron energy-loss spectroscopy 单晶并五苯（001）表面激子带各向异性色散的低能角分辨高分辨率电子能量损失谱测量

IF 1.8 4区物理与天体物理

Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2025-01-31 DOI: 10.1016/j.elspec.2025.147514

Yasuo Nakayama , François C. Bocquet , Ryohei Tsuruta , Serguei Soubatch , F. Stefan Tautz

{"title":"Anisotropic dispersion of excitonic bands of the single-crystal pentacene (001) surface as measured by low-energy angle-resolved high-resolution electron energy-loss spectroscopy","authors":"Yasuo Nakayama , François C. Bocquet , Ryohei Tsuruta , Serguei Soubatch , F. Stefan Tautz","doi":"10.1016/j.elspec.2025.147514","DOIUrl":"10.1016/j.elspec.2025.147514","url":null,"abstract":"<div><div>Low-energy high-resolution electron energy-loss spectroscopy (HREELS) is a useful technique for the characterization of various excitation processes at solid surfaces. However, no successful work has been reported on molecular single-crystal samples yet. In the present study, low-energy angle-resolved HREELS measurements were conducted on single-crystal pentacene, an organic semiconductor. The results confirmed the excitonic bands exhibiting energy–momentum dispersion and anisotropy of these depending on the surface crystallographic directions, corroborating the occurrence of exciton delocalization, contrary to the ordinary notion of the Frenkel exciton for weakly interacting van der Waals molecular solids. The present results demonstrate that low-energy angle-resolved HREELS is applicable to the precise examination of the excitonic characteristics of solid-state surfaces, even for molecular semiconductor single crystals.</div></div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"279 ","pages":"Article 147514"},"PeriodicalIF":1.8,"publicationDate":"2025-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143140829","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Time evolution of ion states formed during the cascade decay of vacancies produced by the electron capture decay of the 125I radionuclide 125I放射性核素电子俘获衰变产生的空位级联衰变过程中离子态的时间演化

IF 1.8 4区物理与天体物理

Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2025-01-25 DOI: 10.1016/j.elspec.2025.147522

A.P. Chaynikov , A.G. Kochur , A.I. Dudenko

{"title":"Time evolution of ion states formed during the cascade decay of vacancies produced by the electron capture decay of the 125I radionuclide","authors":"A.P. Chaynikov , A.G. Kochur , A.I. Dudenko","doi":"10.1016/j.elspec.2025.147522","DOIUrl":"10.1016/j.elspec.2025.147522","url":null,"abstract":"<div><div>Cascade relaxation of inner-shell vacancies in tellurium atom produced by the electron capture decay of the 125I radionuclide is studied using Monte Carlo simulations. Final cascade ions yields and mean final ion charges upon the decay of single-inner-vacancy states TeX–15p5 (X = 1 s to 5 s) were calculated. The time evolution of the cascade ion states is simulated, and the mean final ion charge is found to be stabilized within τcasc = 10–12 s after the electron capture decay of the 125I nucleus. This time interval must be compared to the time τneutr needed for ions neutralization when 125I is used as an Auger emitter in radiotherapy. Depending on the relation between τcasc and τneutr, either ‘isolated-atom’ or ‘condensed-phase’ approximation should be used in theoretical descriptions of local energy deposition.</div></div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"279 ","pages":"Article 147522"},"PeriodicalIF":1.8,"publicationDate":"2025-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143140828","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Density functional theory calculations of the electronic structure and dielectric properties of metal oxide systems Al2O3, MgO, Cu2O, TiO2, WO3 金属氧化物体系Al2O3， MgO, Cu2O, TiO2， WO3的电子结构和介电性能的密度泛函理论计算

IF 1.8 4区物理与天体物理

Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2025-01-01 DOI: 10.1016/j.elspec.2024.147512

Raul E. Gutierrez , Ivana Matanovic , Maciej P. Polak , Dane Morgan , Edl Schamiloglu

{"title":"Density functional theory calculations of the electronic structure and dielectric properties of metal oxide systems Al2O3, MgO, Cu2O, TiO2, WO3","authors":"Raul E. Gutierrez , Ivana Matanovic , Maciej P. Polak , Dane Morgan , Edl Schamiloglu","doi":"10.1016/j.elspec.2024.147512","DOIUrl":"10.1016/j.elspec.2024.147512","url":null,"abstract":"<div><div>Density Functional Theory is utilized to study the electronic structure and dielectric properties of various metal oxide systems (Al2O3, MgO, Cu2O, TiO2, WO3) in comparison to their base metals (Al, Mg, Cu, Ti, and W). The properties studied include the density of states, energy band gap, Fermi energy, work function, ionization potential, and the frequency- and momentum-dependent energy loss function. This work provides high-quality first principles-calculated properties that can be further utilized in computational simulations which aim to model complicated electron inelastic scattering interactions in metal oxides and their corresponding metals. In general, properties of this nature might be of interest, but not limited, to those involved in the multipactor effect, magnetic confinement fusion, photovoltaics, charged particle accelerators, x-ray photoelectron spectroscopy, Auger electron spectroscopy, and photomultipliers.</div></div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"278 ","pages":"Article 147512"},"PeriodicalIF":1.8,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143180515","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Embedding of cluster models of oxides: Implications for XPS predictions 氧化物簇模型的嵌入：对XPS预测的影响

IF 1.8 4区物理与天体物理

Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2025-01-01 DOI: 10.1016/j.elspec.2024.147511

Paul S. Bagus , Connie J. Nelin

引用次数: 0

XPS study on the oxidation-induced segregation behavior of U–Nb alloy U-Nb合金氧化致偏析行为的XPS研究

IF 1.8 4区物理与天体物理

Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2025-01-01 DOI: 10.1016/j.elspec.2024.147513

Ruidong Liu, Xiaofang Wang, Lizhuo Luo, Yin Hu, Jianwei Qin, Yongchu Rao

{"title":"XPS study on the oxidation-induced segregation behavior of U–Nb alloy","authors":"Ruidong Liu, Xiaofang Wang, Lizhuo Luo, Yin Hu, Jianwei Qin, Yongchu Rao","doi":"10.1016/j.elspec.2024.147513","DOIUrl":"10.1016/j.elspec.2024.147513","url":null,"abstract":"<div><div>In this work, the surface structure and chemical composition of U–Nb alloy after one year of oxidation under ambient conditions were investigated using X-ray photoelectron spectroscopy (XPS) depth profile methods. Furthermore, the in-situ oxidation of U–Nb was carried out under UHV conditions, providing insights into the initial oxidation behavior of U-Nb. Studies show that, an thin (1.5 nm) layer of UO2 intermixed with enriched Nb2O5 is formed on the top of the naturally oxidized U–Nb, with an inner oxide layer consisting of UO2-x intermixed with depleted NbO2 and NbO at below, followed by an inner layer of UO2-x intermixed with metallic U and Nb adjacent to the U-Nb substrate. During the initial oxidation stage, U oxidizes rapidly to form UO2-x, while the leaving Nb in the UO2-x lattice migrates inward and enriched at the metal side of the oxide/metal interface. As oxidation continues, oxidation-induced segregation of the leaving Nb in the UO2-x lattice toward the surface occurs and forms NbO and NbO2 at the gas-oxide interface. The affinities of U and Nb to OH and O anions may act as the driving force of the segregation.</div></div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"278 ","pages":"Article 147513"},"PeriodicalIF":1.8,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143104952","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Theory of circular dichroism in angle- and spin-resolved photoemission from the surface state on Bi(111) Bi(111) 表面态角度和自旋分辨光发射中的圆二色性理论

IF 1.8 4区物理与天体物理

Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2024-11-22 DOI: 10.1016/j.elspec.2024.147501

E.E. Krasovskii

引用次数: 0