Article
Materials Science, Coatings & Films
Sven Tougaard
Summary: This guide aims to help readers understand and evaluate peak intensities in X-ray photoelectron spectroscopy analysis to accurately determine the composition and structure of surfaces on the nanoscale. It introduces different analysis methods and demonstrates their practical application through several examples.
JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A
(2021)
Article
Chemistry, Physical
Vincent Fernandez, David Morgan, Pascal Bargiela, Neal Fairley, Jonas Baltrusaitis
Summary: Cellulose undergoes new chemistry in response to XPS, but recent studies have shown that this can be detrimental to some materials. This study analyzes cellulose spectra obtained during a degradation study, revealing that cellulose degrades through the creation of carbon chemistry involving C-O, C--O and O-C--O. The findings are relevant to any material analyzed by XPS dependent on hydrogen bonds. The analysis techniques are based on an informed vectorial approach, utilizing mathematical methods such as Principal Component Analysis and linear analysis.
APPLIED SURFACE SCIENCE
(2023)
Article
Chemistry, Inorganic & Nuclear
Donaji Velasco-Arias, Rodrigo Mojica, Inti Zumeta-Dube, Fabian Ruiz-Ruiz, Ivan Puente-Lee, Edilso Reguera
Summary: This study investigates the structural defects in 1D AuCN induced by mechanical grinding, revealing that the CN-Au-CN and CN-Au-NC sequences become disordered while the NC-Au-CN sequence becomes ordered. Atomic chains are preferentially disrupted at the Au-N bond during the grinding process, leading to significant changes in the UV-vis absorption spectrum of AuCN.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2021)
Article
Materials Science, Coatings & Films
Paul S. Bagus, C. R. Brundle, B. Vincent Crist
Summary: The study investigates the use of theoretical analysis of intensity losses to improve the accuracy of XPS composition determination. The results demonstrate that theory-based calculations can enhance the accuracy of determining relative atom % composition based on XPS peak intensities.
JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A
(2021)
Article
Chemistry, Physical
Neal Fairley, Pascal Bargiela, Jonas Baltrusaitis
Summary: This article discusses the impact of adventitious carbon contamination on Pt and presents a method to determine the amount of each component, including the contamination itself, by fitting the peak spectra using linear mathematics after ion beam cleaning of the samples.
SURFACE AND INTERFACE ANALYSIS
(2023)
Article
Chemistry, Physical
Alexandra R. McNeill, Rodrigo Martinez-Gazoni, Roger J. Reeves, Martin W. Allen, Alison J. Downard
Summary: ZnO is a strong candidate for transparent electronic devices due to its wide band gap and earth-abundance, but its practical use is limited by surface metallicity. Modification of ZnO single crystal surfaces with aryl films and NP films can decrease the downward surface band bending, with evidence of Zn-O-C bonding provided by XPS measurements.
Article
Materials Science, Coatings & Films
Tahereh G. Avval, Neal Gallagher, David Morgan, Pascal Bargiela, Neal Fairley, Vincent Fernandez, Matthew R. Linford
Summary: Chemometrics/informatics and data analysis are crucial in the field of x-ray photoelectron spectroscopy. This guide provides theoretical aspects and considerations for chemometrics/informatics analyses of XPS data, focusing on exploratory data analysis tools such as PCA, MCR, and cluster analysis. The guide emphasizes the importance of MCR and its ability to reveal intermediates in material degradation. Overall, this guide is valuable for researchers in the field.
JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A
(2022)
Article
Chemistry, Physical
E. Nolot, C. Sabbione, W. Pessoa, L. Prazakova, G. Navarro
Summary: The structural features and electrical properties of thin materials developed for phase change memory are highly influenced by stoichiometry and binding states. Chemical state X-ray photoelectron spectroscopic analysis of materials such as GeTe, Sb2Te3, and GST is challenging due to overlapping binding energies when samples are exposed to air. Quasi in situ XPS has been used to characterize PCM materials and investigate the influence of nitrogen and air exposure on their binding states.
APPLIED SURFACE SCIENCE
(2021)
Review
Public, Environmental & Occupational Health
Dong-Han Ham
Summary: Traditional safety concepts (Safety-I) have limitations, while Safety-II and resilience engineering offer alternative solutions. Understanding accidents in socio-technical systems should be based on workers' performance adjustments and resulting performance variations.
SAFETY AND HEALTH AT WORK
(2021)
Article
Chemistry, Physical
Remigijus Ivanauskas, Aiste Kunciute, Ingrida Ancutiene, Mindaugas Andrulevicius, Marius Mikolajunas
Summary: Thin tin selenide films were synthesized on polyamide sheets using the two-stage adsorption/diffusion method. The films exhibited different thicknesses and surface features depending on the concentration, pH value, and temperature of the tin(II) precursor solution. The films were composed of nanoscale grains of approximately 40 nm, which formed agglomerates ranging from 100 nm to 3 μm. The thickness and crystallite size of the films greatly influenced their optical properties and band gap.
SURFACES AND INTERFACES
(2022)
Article
Acoustics
Allan Vurma, Einar Meister, Lya Meister, Jaan Ross, Marju Raju, Veeda Kala, Tuuri Dede
Summary: "In classical singing, there are often issues with the clarity of the sung text. This study found that in loud operatic singing, the intensity difference between voiceless plosives and vowels leads to poorer recognition of plosives. However, increasing the intensity of plosive bursts can improve their recognition, especially when reverberation and instrumental accompaniments are added. Interestingly, plosives can still be recognized even when the burst is missing and replaced by silence."
JOURNAL OF THE ACOUSTICAL SOCIETY OF AMERICA
(2023)
Article
Materials Science, Coatings & Films
Tahereh G. Avval, Hyrum Haack, Neal Gallagher, David Morgan, Pascal Bargiela, Neal Fairley, Vincent Fernandez, Matthew R. Linford
Summary: Chemometrics/informatics plays an increasingly important role in X-ray photoelectron spectroscopy (XPS) due to the vast amount of data collected. This study presents the chemometrics/informatics analysis of XPS data, focusing on cellulose and tartaric acid samples. The findings reveal significant changes in the cellulose data set and the presence of intermediates in the decomposition of tartaric acid. The paper serves as a companion to a guide that explores the theoretical aspects of these topics.
JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A
(2022)
Article
Biochemistry & Molecular Biology
Nicusor Fifere, Anton Airinei, Florica Doroftei, Tudor Stefan Ardeleanu, Marius Dobromir, Daniel Timpu, Elena-Laura Ursu
Summary: Cerium oxide nanoparticles were synthesized using aqueous extracts of Chelidonium majus and Viscum album. Characterization techniques such as X-ray diffractometry, scanning electron microscopy, UV-Vis reflectance and Raman spectroscopy, XPS, and fluorescence were applied to study the morphology and optical properties of the nanoparticles. The results showed that the nanoparticles had a spherical shape with uniform size and exhibited specific absorption and emission bands. They also demonstrated antioxidant potential.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Engineering, Environmental
Jiang Xiong, Chuan Tang, Lingfeng Gong, Ming Chen
Summary: The study analyzed the variability of rainfall time distributions in Wenchuan County using the Huff curve and their impact on peak discharge through the HEC-HMS model. Results show significant influence of rainfall time distributions on peak discharge, with small variations between different regions of the county.
BULLETIN OF ENGINEERING GEOLOGY AND THE ENVIRONMENT
(2021)
Article
Multidisciplinary Sciences
Pawel Lochynski, Sylwia Charazinska, Maciej Karczewski, Edyta Lyczkowska-Widlak
Summary: Electrochemical metal processing generates harmful pollution and researchers should also focus on reducing the load of metal ions in wastewater. A multi-factorial mathematical model considers surface quality parameters, power consumption, weight loss, and helps in selecting recommended process parameters.
SCIENTIFIC REPORTS
(2021)
Article
Chemistry, Multidisciplinary
Shichao Ding, Jordan Alysia Barr, Zhaoyuan Lyu, Fangyu Zhang, Maoyu Wang, Peter Tieu, Xin Li, Mark H. Engelhard, Zhenxing Feng, Scott P. Beckman, Xiaoqing Pan, Jin-Cheng Li, Dan Du, Yuehe Lin
Summary: The introduction of phosphorus into Fe-N-C single-atom catalysts enhances the peroxidase-like activity, showing excellent selectivity and stability. A 1D carbon nanowire catalyst with enriched Fe-N-4 active sites and phosphorus doping is designed and synthesized, and it is employed in an enzyme cascade platform for highly sensitive colorimetric detection of the neurotransmitter acetylcholine.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Physical
Zhun Dong, Ahmad Mukhtar, Thomas Ludwig, Sneha A. Akhade, ShinYoung Kang, Brandon Wood, Katarzyna Grubel, Mark Engelhard, Tom Autrey, Hongfei Lin
Summary: This study investigates the kinetics of surface-functionalized Pd on carbon catalysts for formate dehydrogenation and the impact of O-functional groups. The study shows that O-functional groups play critical roles in dispersing Pd nanoparticles and decreasing the activation energy, while C-O groups hinder the formation of metallic Pd.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2023)
Article
Biochemistry & Molecular Biology
Ewa C. E. Ronnebro, Mark Engelhard, Danny Edwards, Katarzyna Grubel, Anthony Guzman, Randall Storms
Summary: The coating of metal specimens affects the hydrogen gettering performance. This study evaluated the role of post-plating heat treatments on gettering rates, surface composition, and texture. It was found that the pre-heat treatment in air before activation is necessary to avoid slower gettering rates.
Article
Chemistry, Physical
Donald R. Baer, John F. Watts, Alberto Herrera-Gomez, Karen J. Gaskell
Summary: Based on literature analysis, the use of X-ray photoelectron spectroscopy (XPS) has been increasing exponentially. However, there is a growing presence of significantly flawed data analyses, which is recognized as a problem within the surface analysis community. Efforts to address this issue include providing guides and protocols for non-experts, improving data and analysis reporting, and addressing peak fitting problems. Encouraging high-quality XPS analysis and reporting requires collaboration within the surface and interface analysis community.
SURFACE AND INTERFACE ANALYSIS
(2023)
Article
Chemistry, Multidisciplinary
Hao Jia, Ju-Myung Kim, Peiyuan Gao, Yaobin Xu, Mark H. Engelhard, Bethany E. Matthews, Chongmin Wang, Wu Xu
Summary: This study systematically investigates and compares localized high-concentration electrolytes (LHCEs) based on five different solvents in lithium-ion batteries (LIBs). The unique solvation structure of LHCEs facilitates the formation of solid electrolyte interphase (SEI) on graphite anode, enabling previously incompatible solvents to achieve reversible lithiation/delithiation. The study also reveals that the long-term cyclability of LIBs can be improved by introducing additives into LHCEs, which results in effective SEIs and cathode electrolyte interphases (CEIs).
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Multidisciplinary
Konstantin Khivantsev, Nicholas R. Jaegers, Hristiyan A. Aleksandrov, Inhak Song, Xavier Isidro Pereira-Hernandez, Mark H. Engelhard, Jinshu Tian, Linxiao Chen, Debora Motta Meira, Libor Kovarik, Georgi N. Vayssilov, Yong Wang, Janos Szanyi
Summary: Atom trapping leads to catalysts with atomically dispersed Ru1O5 sites on (100) facets of ceria, showing excellent activity in catalytic NO oxidation and high NOx storage properties. The Ru1O5 sites exhibit higher stability during calcination and the Ru1/CeO2 catalyst is stable during continuous cycling and in the presence of moisture. In addition, the catalyst shows excellent reactivity for NO reduction by CO at low temperatures. This study highlights the applicability of novel ceria-based single-atom catalysts in NO and CO abatement.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Materials Science, Coatings & Films
George H. Major, Joshua W. Pinder, Daniel E. Austin, Donald R. Baer, Steven L. Castle, Jan Cechal, B. Maxwell Clark, Hagai Cohen, Jonathan Counsell, Alberto Herrera-Gomez, Pavitra Govindan, Seong H. Kim, David J. Morgan, Robert L. Opila, Cedric J. Powell, Stanislav Prusa, Adam Roberts, Mario Rocca, Naoto Shirahata, Tomas Sikola, Emily F. Smith, Regina C. So, John E. Stovall, Jennifer Strunk, Andrew Teplyakov, Jeff Terry, Stephen G. Weber, Matthew R. Linford
Summary: Thanks to advances in instrumentation, previously specialized techniques have become routine in user facilities. However, important knowledge held by experts has not been effectively relayed to general users, leading to major errors in data analysis. This work discusses serious errors in XPS data analysis and suggests that surface and material analysis, as well as science in general, are in a pre-crisis state.
JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A
(2023)
Article
Materials Science, Coatings & Films
A. Herrera-Gomez, M. O. Vazquez-Lepe, P. G. Mani-Gonzalez, P. Pianetta, F. S. Aguirre-Tostado, O. Ceballos-Sanchez
Summary: One doublet is typically used to fit the Si-0 substrate species in Si 2p photoemission spectra from Si (001) H-terminated and oxidized surfaces. However, there is a second substrate-top component (S-T) with a higher binding energy than the bulk component, varying in intensity depending on the emission angle. It exists even for oxidized surfaces and does not correspond to any suboxide species. The S-T component contributes to the signal dip between the two S-O branches of the Si 2p spectra for glancing electron takeoff angles, but it is not mentioned in the literature.
JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A
(2023)
Article
Materials Science, Coatings & Films
Alberto Herrera-Gomez, Dulce Maria Guzman-Bucio, Abraham Jorge Carmona-Carmona, Orlando Cortazar-Martinez, Marisol Mayorga-Garay, Dagoberto Cabrera-German, Carlos Alberto Ospina-Ocampo, B. Vincent Crist, Joaquin Rabono-Borbolla
Summary: This paper demonstrates that using the double Lorentzian (DL) line shape to fit asymmetric photoelectron peaks can lead to high-quality, reliable, and reproducible fits, unlike the Doniach-Sunjic (DS) line shape commonly used for such fits. The DL distribution is integrable and produces higher-quality fits. The functional form of the DL is described in detail, and examples of its application to fit transition metals and one transition metal oxide are given. The transition from symmetric Voigt functions to asymmetric DL functions is smooth and easy. The freely available AAnalyzer software includes the DL line shape. Using the DL line shape reduces the number of free peak parameters, improving the stability, reducing parameter uncertainties, and enhancing reproducibility of results.
JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A
(2023)
Article
Nanoscience & Nanotechnology
Guangxia Feng, Hao Jia, Yaping Shi, Xu Yang, Yanliang Liang, Mark H. Engelhard, Ye Zhang, Chaojie Yang, Kang Xu, Yan Yao, Wu Xu, Xiaonan Shan
Summary: Reflection interference microscopy enables real-time imaging of the formation and evolution of the solid-electrolyte interphase in batteries, providing valuable insights into its structure and dynamics. The imaging reveals the stratified structure of the interphase, with an inner inorganic layer, an interfacial electrified double layer, and an outer organic-rich layer that is reversible with cycling. The thicknesses of the interphase subcomponents show an inverse correlation, indicating the influence of the inner layer on the formation of the outer layer and lithium nucleation.
NATURE NANOTECHNOLOGY
(2023)
Article
Chemistry, Physical
Vanessa Lebarbier Dagle, Gregory Collinge, Mohammed Rahmana, Austin Winkelman, Wenda Hu, Jian Zhi Hu, Libor Kovarik, Mark Engelhard, Jennifer Jocz, Yong Wang, Mal-Soon Lee, Vassiliki-Alexandra Glezakou, Debmalya Ray, Roger Rousseau, Robert Dagle
Summary: This study reports on a Cu/ZrO2/SBA-16 catalyst with remarkable olefins selectivity and enhanced stability compared to the Ag/ZrO2/SBA-16 catalyst. Replacing Ag with Cu shifts the reaction pathway of crotonaldehyde hydrogenation, leading to the formation of butyraldehyde. Experimental and computational tools were used to verify the performance and stability advantage of the Cu/ZrO2/SBA-16 catalyst.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2023)
Article
Multidisciplinary Sciences
Jianghao Zhang, Wenda Hu, Binbin Qian, Houqian Li, Berlin Sudduth, Mark Engelhard, Lian Zhang, Jianzhi Hu, Junming Sun, Changbin Zhang, Hong He, Yong Wang
Summary: In this study, the authors demonstrate that coordinating Pd with alkenyl-type ligands creates an electron-rich environment for selective hydrogenation. The method of forming homogeneous-like Pd catalyst structure with noble metals is crucial for inhibiting side reactions in hydrotreating processes.
NATURE COMMUNICATIONS
(2023)
Article
Materials Science, Multidisciplinary
Martin Weiser, Matthew J. Olszta, Mark H. Engelhard, Zihua Zhu, Daniel K. Schreiber
Summary: The transport paths of oxygen during intergranular oxidation in binary Ni-Cr were studied using electron microscopy, atom probe tomography (APT), secondary ion mass spectroscopy, and oxygen tracer exchange experiments. The selective oxidation of Cr was isolated by performing oxidation with a CO/CO2 gas mixture. The results reveal nanometer-scale details of passivation and penetrative intergranular oxidation processes, as well as preferred transport paths at the oxide/alloy interface.
NPJ MATERIALS DEGRADATION
(2023)
Article
Biophysics
Michael J. Taylor, Hoshin Kim, William Kew, Amity Andersen, Arunima Bhattacharjee, Mark H. Engelhard, Christopher R. Anderton
Summary: In beam-based ionization methods, the substrate plays a crucial role in the desorption mechanism of molecules from surfaces. Atomistic simulations combined with density functional theory calculations were used to study the desorption of a sphingolipid from a model surface. The results provide insights into the effects of biointerfacial lipid ordering on SIMS imaging.
Article
Chemistry, Multidisciplinary
Xia Cao, Yaobin Xu, Lianfeng Zou, Jie Bao, Yunxiang Chen, Bethany E. Matthews, Jiangtao Hu, Xinzi He, Mark H. Engelhard, Chaojiang Niu, Bruce W. Arey, Chunsheng Wang, Jie Xiao, Jun Liu, Chongmin Wang, Wu Xu, Ji-Guang Zhang
Summary: The calendar life of Lithium Metal Batteries (LMBs) can be significantly improved by forming a stable Solid Electrolyte Interphase (SEI) layer on the surface of Li metal anodes. The stability and reusability of this SEI during repeated lithium stripping/deposition processes have been studied using in situ electron microscopy. LMBs stored under fully charged or fully discharged conditions exhibit longer calendar life.
ENERGY & ENVIRONMENTAL SCIENCE
(2023)