Journal of Electron Spectroscopy and Related Phenomena最新文献

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Soft X-ray scanning transmission microscopy as a selective probe of topical dermal drug delivery: The role of petrolatum and occlusion 软X射线扫描透射显微镜作为皮肤局部给药的选择性探针:矿脂和闭塞的作用
IF 1.9 4区 物理与天体物理
Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2023-07-01 DOI: 10.1016/j.elspec.2023.147343
Gregor Germer , Takuji Ohigashi , Hayato Yuzawa , Nobuhiro Kosugi , Roman Flesch , Fiorenza Rancan , Annika Vogt , Eckart Rühl
{"title":"Soft X-ray scanning transmission microscopy as a selective probe of topical dermal drug delivery: The role of petrolatum and occlusion","authors":"Gregor Germer ,&nbsp;Takuji Ohigashi ,&nbsp;Hayato Yuzawa ,&nbsp;Nobuhiro Kosugi ,&nbsp;Roman Flesch ,&nbsp;Fiorenza Rancan ,&nbsp;Annika Vogt ,&nbsp;Eckart Rühl","doi":"10.1016/j.elspec.2023.147343","DOIUrl":"10.1016/j.elspec.2023.147343","url":null,"abstract":"<div><p><span>Selective and label-free probing of drugs by scanning transmission X-ray microscopy (STXM) is applied along with hyperspectral imaging to probe topically applied drugs in human skin explants </span><em>ex vivo</em><span>. A comparison of data evaluation strategies is reported, which includes changes in optical density at selected photon energies in the O 1 s regime, linear combination modeling using reference spectra, as well as principal component and cluster analyses. It is shown that consistent results are obtained from linear combination modeling of reference spectra and changes in optical density. The dermal penetration of the anti-inflammatory drug rapamycin is investigated with high spatial resolution using a petrolatum-based formulation. For such well-known formulation the result of occlusion is investigated leading to drug uptake into corneocytes. Additional changes in drug penetration induced by weakening the skin barrier by the serine protease trypsin are also included. These results are discussed in comparison with the dermal penetration of other drug formulations. Finally, alternatives to present data acquisition strategies in STXM are discussed with respect to sub-sampling in combination with mathematical approaches, so that the full chemical and spatial information can be retrieved and radiation damage is minimized.</span></p></div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"266 ","pages":"Article 147343"},"PeriodicalIF":1.9,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43902152","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
N, O and F K-edges XAS and DFT combination for the exploration of linkage isomers of coordinated nitric oxide in a ruthenium nitrosyl complex N、 O和F K边XAS和DFT组合用于探索钌-亚硝基配合物中配位一氧化氮的键异构体
IF 1.9 4区 物理与天体物理
Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2023-07-01 DOI: 10.1016/j.elspec.2023.147342
Artem Mikhailov , Tatyana Asanova , Igor Asanov , Igor Píš , Elena Magnano , Gennadiy Kostin , Dominik Schaniel
{"title":"N, O and F K-edges XAS and DFT combination for the exploration of linkage isomers of coordinated nitric oxide in a ruthenium nitrosyl complex","authors":"Artem Mikhailov ,&nbsp;Tatyana Asanova ,&nbsp;Igor Asanov ,&nbsp;Igor Píš ,&nbsp;Elena Magnano ,&nbsp;Gennadiy Kostin ,&nbsp;Dominik Schaniel","doi":"10.1016/j.elspec.2023.147342","DOIUrl":"10.1016/j.elspec.2023.147342","url":null,"abstract":"<div><p><span>We report on the experimental investigation of single crystals of </span><em>trans</em>-[RuNOPy<sub>4</sub>F](ClO<sub>4</sub>)<sub>2</sub> (<strong>1</strong><span><span>) in its ground state (GS). The X-ray absorption spectroscopy<span> (XAS) spectra measured at the N, O and F K-edges were compared to TDDFT calculations to identify and assign the absorption peaks, and to elucidate the structures of coordinated </span></span>nitric oxide (NO). Based on a reasonable match of experimental and calculated spectra of GS, the N, O and F K-edges XAS spectra of Ru-ON (MS1) and Ru-η</span><sup>2</sup>-(NO) (MS2) isomers of <strong>1</strong><span> were calculated. According to the calculations, the energy or/and intensity of the 1 s→LUMO, LUMO+ 1 peaks of N, O or F K-edge changes significantly after GS isomerization to both MS1 and MS2. Current theoretical modeling of the NO linkage isomer in </span><strong>1</strong> is a background for the future investigation of isomerization process of NO by XAS methods. Since the investigated isomerization occurs in a variety of different nitrosyl complexes, obtained results can be extrapolated to a large family of transition metal nitrosyl compounds.</p></div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"266 ","pages":"Article 147342"},"PeriodicalIF":1.9,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42374186","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
Analysis of X-ray images and spectra (aXis2000): A toolkit for the analysis of X-ray spectromicroscopy data x射线图像和光谱分析(aXis2000):用于分析x射线光谱显微镜数据的工具包
IF 1.9 4区 物理与天体物理
Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2023-07-01 DOI: 10.1016/j.elspec.2023.147360
Adam P. Hitchcock
{"title":"Analysis of X-ray images and spectra (aXis2000): A toolkit for the analysis of X-ray spectromicroscopy data","authors":"Adam P. Hitchcock","doi":"10.1016/j.elspec.2023.147360","DOIUrl":"10.1016/j.elspec.2023.147360","url":null,"abstract":"<div><p>Spectromicroscopy refers to analytical methods that combine imaging and spectroscopy to provide detailed, spatially resolved analytical information about a sample, such as the type and quantitative spatial distributions of chemical components, geometric or magnetic alignment information, crystal structure, etc. The analysis of X-ray images and spectra (aXis2000) software described in this work provides a set of routines within a single, integrated, graphical-oriented package to read, display, manipulate and analyze spectromicroscopy data, with particular focus on soft X-ray spectromicroscopy methods such as scanning transmission X-ray microscopy (STXM), X-ray photoemission electron microscopy (XPEEM), scanning photoelectron X-ray microscopy (SPEM) and transmission X-ray microscopy (TXM). Here, this free software is described and compared to other software that can provide similar or complementary capabilities. Examples of spectromicroscopic analyses using advanced features of aXis2000 are provided.</p></div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"266 ","pages":"Article 147360"},"PeriodicalIF":1.9,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49090380","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: 6
Theoretical study of elastic electron scattering by zinc atoms in the framework of relativistic optical potential model 相对论光学势模型框架下锌原子弹性电子散射的理论研究
IF 1.9 4区 物理与天体物理
Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2023-07-01 DOI: 10.1016/j.elspec.2023.147365
Vladimir I. Kelemen , Sándor Demes , Eugene Yu. Remeta
{"title":"Theoretical study of elastic electron scattering by zinc atoms in the framework of relativistic optical potential model","authors":"Vladimir I. Kelemen ,&nbsp;Sándor Demes ,&nbsp;Eugene Yu. Remeta","doi":"10.1016/j.elspec.2023.147365","DOIUrl":"10.1016/j.elspec.2023.147365","url":null,"abstract":"<div><p>A theoretical study of integral and differential cross sections as well as of spin-polarization effects is reported for elastic electron scattering by zinc atoms at collision energies up to 3 keV. It has been shown that a <em>P</em>-wave shape resonance appears in the low-energy range of the integral cross sections. Its energy is about 0.19 and 0.20 eV, while its width is about 0.309 and 0.356 eV for the <em>j</em> = 3/2 and <em>j</em> = 1/2 total angular momentum of the electron, respectively. The differential cross sections of scattering and the Sherman-functions <span><math><mrow><mi>S</mi><mo>(</mo><mi>E</mi><mo>,</mo><mi>θ</mi><mo>)</mo></mrow></math></span> are computed by the parameter-free complex optical potential method. The calculated data are in a good overall agreement with the available experimental and theoretical data in the literature. The energy and angular positions have been located for five critical minima in the differential cross sections. The low-energy minimum is located at [6.63 eV; 102.34°], while the high-energy minimum is at [347.53 eV; 124.11°]. Ten points for the scattered electrons' total spin-polarization (<span><math><mrow><mi>S</mi><mo>=</mo><mo>±</mo><mn>1</mn></mrow></math></span>) have been found in the vicinity of the critical minima along with the energy and the angular widths of the spin-polarization peaks (where <span><math><mrow><mo>|</mo><mi>S</mi><mo>|</mo></mrow><mo>≥</mo><mn>0.9</mn></math></span>).</p></div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"266 ","pages":"Article 147365"},"PeriodicalIF":1.9,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44728785","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
ANTARES: Space-resolved electronic structure ANTARES:空间分辨电子结构
IF 1.9 4区 物理与天体物理
Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2023-07-01 DOI: 10.1016/j.elspec.2023.147362
J. Avila, S. Lorcy, P. Dudin
{"title":"ANTARES: Space-resolved electronic structure","authors":"J. Avila,&nbsp;S. Lorcy,&nbsp;P. Dudin","doi":"10.1016/j.elspec.2023.147362","DOIUrl":"10.1016/j.elspec.2023.147362","url":null,"abstract":"<div><p><span><span>The spatially resolved ARPES<span> (nanoARPES) is a development of conventional ARPES technique achieved with the focusing of light on the sample into the spot with submicron sizes. This development is used in research of essentially small samples, for example, heterostructures build of flakes of 2D materials<span>, micro-crystals or polycrystalline samples, different crystal termination, domains in electronic structure. ANTARES is delivering the nanoARPES technique to user community since 2010, up to now the instrument was used with samples of various types, and that was useful to accumulate the specific experience. In this paper we report the current layout and actual performance of the ANTARES instrument at </span></span></span>Synchrotron<span> SOLEIL, as well as the most typical application areas. The most important and recent upgrades include focusing optics and in-operando setup. The new optical units deliver the increased flux on sample as well as the option to vary the photon energy. The in-operando setup offers the option of electrical connection to the sample being studied with nanoARPES, that promises various applications, where the most demanded now is the control of charge carrier density with applied voltage. This “gate-doping” is often applied to the heterostructures of 2D materials, that could be designed and build on purpose. The 2D heterostructures is probably the most typical field of application of the instrument, with or without </span></span><em>in-operando</em> option. At the same time the use case of the ANTARES instrument is still in the development by the realisation of new kinds of samples and of the new types of the experiments.</p></div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"266 ","pages":"Article 147362"},"PeriodicalIF":1.9,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45313515","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
Energy material analysis via in-situ/operando scanning transmission x-ray microscopy: A review 原位/operando扫描透射x射线显微镜分析能量材料综述
IF 1.9 4区 物理与天体物理
Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2023-07-01 DOI: 10.1016/j.elspec.2023.147337
Juwon Kim , Danwon Lee , Chihyun Nam , Jinkyu Chung , Bonho Koo , Namdong Kim , Jongwoo Lim
{"title":"Energy material analysis via in-situ/operando scanning transmission x-ray microscopy: A review","authors":"Juwon Kim ,&nbsp;Danwon Lee ,&nbsp;Chihyun Nam ,&nbsp;Jinkyu Chung ,&nbsp;Bonho Koo ,&nbsp;Namdong Kim ,&nbsp;Jongwoo Lim","doi":"10.1016/j.elspec.2023.147337","DOIUrl":"10.1016/j.elspec.2023.147337","url":null,"abstract":"<div><p><span>The development of advanced energy systems is essential for replacing fossil fuel-based societies, and progress in the fundamental understanding of solid-state energy materials has revolutionized this field. In particular, investigating the inhomogeneity of reactions in energy systems requires analysis at the level of individual particles, which are the smallest units in the system. Synchrotron-based scanning transmission X-ray microscopy (STXM) is a valuable tool for exploring reaction and degradation mechanisms, and providing nanoscale site-specific information on chemical and structural changes within single particles. In-situ/operando </span>STXM is particularly useful for observing reactions under well-controlled conditions in real time, thus providing insights into local phenomena obscured by the ensemble effect. This review highlights the research achievements of in-situ/operando STXM in the field of energy materials and provides perspectives for advanced X-ray imaging techniques that can further enhance STXM capabilities.</p></div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"266 ","pages":"Article 147337"},"PeriodicalIF":1.9,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48063124","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
Operando photoelectron spectromicroscopy of nanodevices: Correlating the surface chemistry and transport in SnO2 nanowire chemiresistors 纳米器件的操作光电子能谱显微镜:SnO2纳米线化学电阻中的表面化学和传输的相关性
IF 1.9 4区 物理与天体物理
Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2023-07-01 DOI: 10.1016/j.elspec.2023.147366
Andrei Kolmakov , J. Trey Diulus , Kurt D. Benkstein , Steve Semancik , Majid Kazemian , Matteo Amati , Maya Kiskinova , Luca Gregoratti
{"title":"Operando photoelectron spectromicroscopy of nanodevices: Correlating the surface chemistry and transport in SnO2 nanowire chemiresistors","authors":"Andrei Kolmakov ,&nbsp;J. Trey Diulus ,&nbsp;Kurt D. Benkstein ,&nbsp;Steve Semancik ,&nbsp;Majid Kazemian ,&nbsp;Matteo Amati ,&nbsp;Maya Kiskinova ,&nbsp;Luca Gregoratti","doi":"10.1016/j.elspec.2023.147366","DOIUrl":"10.1016/j.elspec.2023.147366","url":null,"abstract":"<div><p><span><span>With size reduction of active elements in microelectronics to tens of nanometers and below, the effect of surface and interface properties on overall device performance becomes crucial. High resolution spectroscopic and imaging techniques provide a metrological route for characterization of these properties relevant to </span>device diagnostics<span> and failure analysis. With its roughly 100 nm spatial resolution, superior surface sensitivity, and approximately 200 meV spectral resolution, scanning photoelectron<span> microscopy (SPEM) stands out as a comprehensive tool to access the surface/interface composition of nanodevices, as well to provide chemical state designations and materials property evolutions upon treatment by thermal, electrical, chemical, radiative and other stimuli. Here we present a SPEM-on-device setup that combines X-ray spectromicroscopy with advanced NIST microhotplate technology to demonstrate new combined analytical and electrical measurements capabilities of this metrology platform for </span></span></span><em>operando</em> nanodevice characterization. Using model integrated SnO<sub>2</sub><span> nanowire (NW) chemiresistor devices, the chemically induced alterations in the chemical state of the nanowire surface are correlated to the observed conductance changes, thus directly testing the receptor and transduction mechanisms for SnO</span><sub>2</sub> NW conductometric chemical sensors.</p></div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"266 ","pages":"Article 147366"},"PeriodicalIF":1.9,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42556502","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
When microscopy meets soft X-ray at TLS and TPS 当显微镜在TLS和TPS处遇到软x射线时
IF 1.9 4区 物理与天体物理
Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2023-07-01 DOI: 10.1016/j.elspec.2023.147363
Hung-Wei Shiu , Tzu-Hung Chuang , Cheng-Maw Cheng , Chia-Hao Chen , Yao-Jane Hsu , Der-Hsin Wei
{"title":"When microscopy meets soft X-ray at TLS and TPS","authors":"Hung-Wei Shiu ,&nbsp;Tzu-Hung Chuang ,&nbsp;Cheng-Maw Cheng ,&nbsp;Chia-Hao Chen ,&nbsp;Yao-Jane Hsu ,&nbsp;Der-Hsin Wei","doi":"10.1016/j.elspec.2023.147363","DOIUrl":"10.1016/j.elspec.2023.147363","url":null,"abstract":"<div><p>Microscopy<span><span><span> using the soft X-ray as an illumination source can integrate spectroscopy into images. This capability was implemented at Taiwan Light Source (TLS) in the early 2000s through two photoelectron-based microscopy stations whose imaging optics<span> is either zone-plate (TLS 09A1) or electron lens (TLS 05B2). The microscopy project was later expanded into multiple stations and beamlines at Taiwan Photon Source (TPS) to take advantage of TPS’s low </span></span>emittance. In this report, we summarize the activities of soft X-ray microscopy at TLS, followed by the status of microscopy stations under construction at beamline TPS 27A and 39A. The new lineup at TPS is to meet the scientific challenges ahead while carrying the existing activities forward. Both </span>photoemission and transmission X-ray microscopy will be available at TPS.</span></p></div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"266 ","pages":"Article 147363"},"PeriodicalIF":1.9,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43500874","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
The CARNAÚBA X-ray nanospectroscopy beamline at the Sirius-LNLS synchrotron light source: Developments, commissioning, and first science at the TARUMÃ station 天狼星- lnls同步加速器光源的CARNAÚBA x射线纳米光谱束线:TARUMÃ站的开发,调试和第一科学
IF 1.9 4区 物理与天体物理
Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2023-07-01 DOI: 10.1016/j.elspec.2023.147340
Hélio C.N. Tolentino , Renan R. Geraldes , Francisco M.C. da Silva , Maria Gabriella D. Guaita , Carolina M. Camarda , Rodrigo Szostak , Itamar T. Neckel , Verônica C. Teixeira , Dean Hesterberg , Carlos A. Pérez , Douglas Galante , Flavia Callefo , Antonio C.P. Neto , Leonardo M. Kofukuda , Anna P.S. Sotero , Gabriel B.Z.L. Moreno , Sérgio A.L. Luiz , Cassiano S.N.C. Bueno , Francesco R. Lena , Harry Westfahl Jr
{"title":"The CARNAÚBA X-ray nanospectroscopy beamline at the Sirius-LNLS synchrotron light source: Developments, commissioning, and first science at the TARUMÃ station","authors":"Hélio C.N. Tolentino ,&nbsp;Renan R. Geraldes ,&nbsp;Francisco M.C. da Silva ,&nbsp;Maria Gabriella D. Guaita ,&nbsp;Carolina M. Camarda ,&nbsp;Rodrigo Szostak ,&nbsp;Itamar T. Neckel ,&nbsp;Verônica C. Teixeira ,&nbsp;Dean Hesterberg ,&nbsp;Carlos A. Pérez ,&nbsp;Douglas Galante ,&nbsp;Flavia Callefo ,&nbsp;Antonio C.P. Neto ,&nbsp;Leonardo M. Kofukuda ,&nbsp;Anna P.S. Sotero ,&nbsp;Gabriel B.Z.L. Moreno ,&nbsp;Sérgio A.L. Luiz ,&nbsp;Cassiano S.N.C. Bueno ,&nbsp;Francesco R. Lena ,&nbsp;Harry Westfahl Jr","doi":"10.1016/j.elspec.2023.147340","DOIUrl":"10.1016/j.elspec.2023.147340","url":null,"abstract":"<div><p><span>We review the main developments and first commissioning experiments at the CARNAÚBA X-ray nanoprobe beamline<span>, recently installed at the brand-new Sirius 4th-generation synchrotron radiation source at the Brazilian </span></span>Synchrotron<span><span> Light Laboratory (LNLS). The paper briefly discusses the X-ray nanoprobe instrument, emphasizing the first deployed experimental station TARUMÃ, and showcases preliminary results in a broad range of areas that benefit from diverse sample environments. Research domains like photovoltaics, photonics<span>, electrocatalysis, geoscience, and agriculture are investigated from the viewpoint of </span></span>chemistry, atomic structure, morphology, and redox dynamics phenomena covered by the beamline techniques. Finally, future capabilities are presented based on a new instrument under development.</span></p></div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"266 ","pages":"Article 147340"},"PeriodicalIF":1.9,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44444813","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: 3
DFT computation of the photoemission spectra of acrylamide vapor 丙烯酰胺蒸气光发射光谱的DFT计算
IF 1.9 4区 物理与天体物理
Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2023-07-01 DOI: 10.1016/j.elspec.2023.147359
Delano P. Chong
{"title":"DFT computation of the photoemission spectra of acrylamide vapor","authors":"Delano P. Chong","doi":"10.1016/j.elspec.2023.147359","DOIUrl":"10.1016/j.elspec.2023.147359","url":null,"abstract":"<div><p>Synchrontron radiation enabled recent measurement of the complete photoemission<span><span> spectrum of acrylamide reported by Evangelisti et al. in Photochem. 2 (2022) 463. It seems to be a pity that calculation with the usually reliable </span>ab initio method<span> SAC-CI did not produce good agreement with experiment. In the present study, we use density functional theory methods in order to improve the agreement between experiment and theory. Such agreement helps to validate the DFT methods used. Our DFT results also suggest that two peaks in the N1s X-ray absorptiom spectrum have been incorrectly assigned.</span></span></p></div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"266 ","pages":"Article 147359"},"PeriodicalIF":1.9,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42235197","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: 1
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