Article
Physics, Multidisciplinary
Sergey Belim, Ilya Tikhomirov
Summary: This article addresses the problem of modeling thin epitaxial iron films on a Cu (100) substrate by calculating the surface potential. The simulation aims to determine the film structure. It is found that the copper substrate stabilizes the fcc crystal lattice in the iron film at low temperatures, whereas bulk iron samples have a bcc crystal lattice. Furthermore, the interface effect causes additional vertical deformations in the first two layers of iron above the substrate.
Article
Chemistry, Physical
Daniel Garcia Rodriguez, Michael Gleeson, Jeppe V. Lauritsen, Zheshen Li, Xin Yu, J. W. Hans Niemantsverdriet, C. J. Kees-Jan Weststrate
Summary: Thin iron films on Cu(1 0 0) were carburized using ethylene to produce pure iron carbide surfaces. Carbon can be deposited on thin films up to a certain thickness, and it affects the structure and surface chemistry of the film.
APPLIED SURFACE SCIENCE
(2022)
Article
Materials Science, Multidisciplinary
Ramasis Goswami, Syed B. Qadri
Summary: In this study, we investigated the effect of interfacial strain on the microstructure, interfaces and phase-formation behavior in epitaxially grown Fe films. Our results showed that films with higher thicknesses exhibited an equilibrium alpha-Fe phase, while thinner films transformed the metastable delta-Fe phase to an equilibrium alpha-Fe phase through annealing.
Article
Materials Science, Multidisciplinary
Zichao Li, Ye Yuan, Rene Hubner, Viktor Begeza, Thomas Naumann, Lars Rebohle, Olav Hellwig, Manfred Helm, Kornelius Nielsch, Slawomir Prucnal, Shengqiang Zhou
Summary: Researchers successfully prepared B20-MnSi films on Si(100) substrates, offering better conditions for practical applications. The regrown layer exhibits a higher Curie temperature compared to bulk material, and the magnetic skyrmion signature was confirmed through magnetic and transport measurements. Flash-lamp annealing in the millisecond range shows promise for fabricating Si-based skyrmionic devices.
MATERIALS TODAY PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Nima Khaleghi, Zahrasadat Mojtabapour, Zahra Rashvandi, Adibeh Mohammadi, Mohadeseh Forouzandeh-Malati, Fatemeh Ganjali, Simindokht Zarei-Shokat, Amir Kashtiaray, Reza Taheri-Ledari, Ali Maleki
Summary: In this study, a novel and eco-friendly nanocatalyst system was developed for synthesizing compounds via the click reaction. The system consists of AG, Fe3O4 MNPs, CPTMS, AP, and Cu(i) ions. The Fe3O4@AG/AP-Cu(i) nanocomposite exhibited high efficiency in water as a green solvent, with a reaction yield of 95.0% achieved in H2O solvent using 50.0 mg of the nanocatalyst for 60 min at room temperature. The catalyst also demonstrated stability and effectiveness with consistent reaction yields for six runs.
NANOSCALE ADVANCES
(2023)
Article
Chemistry, Physical
Ziyan Hao, Linzhuo Wei, Lei Gao, Yaocen Wang, Xiaojun Bai, Xing Tong, Xiaoyu Liang, Noriharu Yodoshi, Rie Umetsu, Yoshiyuki Kawazoe, Yan Zhang, Chongde Cao
Summary: Appropriate addition of phosphorus (P) enhances the thermal stability and magnetic softness of Fe-based amorphous alloys. However, excessive P addition, especially under high heating rates, leads to an increase in coercivity and deterioration of magnetic softness. This is attributed to the fast increase of diffusion rate and delayed nucleation caused by excessive P concentration. Understanding the role of P in the nano-crystallization mechanism is crucial for designing high-performance soft magnetic Fe-based alloys with an acceptable heating rate in industry.
Article
Chemistry, Multidisciplinary
Nima Khaleghi, Zahrasadat Mojtabapour, Zahra Rashvandi, Adibeh Mohammadi, Mohadeseh Forouzandeh-Malati, Fatemeh Ganjali, Simindokht Zarei-Shokat, Amir Kashtiaray, Reza Taheri-Ledari, Ali Maleki
Summary: In this study, a novel and eco-friendly nanocatalyst system consisting of Arabic gum, iron oxide magnetic nanoparticles, (3-chloropropyl) trimethoxysilane, 2-aminopyridine, and Cu(i) ions was presented for synthesizing compounds via the click reaction. The hydrophilic nature of the nanocomposite made it highly efficient in water as a green solvent. The highest reaction efficiency of 95.0% was achieved in H2O solvent with 50.0 mg of nanocatalyst for 60 min at room temperature, and the stability and effectiveness of the catalyst were demonstrated.
NANOSCALE ADVANCES
(2023)
Article
Engineering, Environmental
Jessy Joseph, Ari Vaisanen, Ajay B. Patil, Manu Lahtinen
Summary: Efficient and environmentally friendly porous hybrid adsorbent beads have been developed for the removal of arsenic from drinking water. The structural tuning of the adsorbents has been shown to have a significant impact on their adsorption performance, with high crystallinity leading to increased adsorption capacity and selectivity towards As5+.
JOURNAL OF HAZARDOUS MATERIALS
(2024)
Article
Chemistry, Physical
Wenzhi Peng, Yulong Chen, Xuhao Yu, Dazhi Hou
Summary: The epitaxial growth of high-index Fe films on MgO(113) substrates with a large lattice constant mismatch is achieved using DC magnetron sputtering. XRD analysis confirms an Fe(103) out-of-plane orientation and reveals a parallel alignment between the Fe[010] direction and the MgO[11 over bar 0] direction within the film plane. These findings provide valuable insights for the advancement of research in the growth of high-index epitaxial films on substrates with large lattice constant mismatch.
Article
Physics, Multidisciplinary
Simin An, Xingyu Gao, Xian Zhang, Xin Chen, Jiawei Xian, Yu Liu, Bo Sun, Haifeng Liu, Haifeng Song
Summary: The study reveals that decreasing the thickness of metallic nanomaterials leads to changes in lattice parameters, contrary to the conventional belief of lattice expansion. This highlights the significant influence of surface effects on lattice variations.
Article
Chemistry, Multidisciplinary
Anchu Ashok, Anand Kumar, Mohammed Ali Saleh Saad, Mohammed J. Al-Marri
Summary: The study reported the fabrication of electrodes by depositing copper on both copper and zinc foils for the electrochemical conversion of CO2 to value-added multi-carbon products. The results showed that the Cu/Cu-foil exhibited high selectivity for formic acid and ethyl acetate, while the Cu/Zn-foil showed high selectivity for methanol. The product selectivity could be easily modulated by changing the metallic foil on which the copper particles were deposited.
JOURNAL OF CO2 UTILIZATION
(2021)
Article
Chemistry, Physical
Azza Hadj Youssef, Gitanjali Kolhatkar, Ifeanyichukwu C. Amaechi, Rajesh Katoch, Yoandris Gonzalez, Alexandre Merlen, Andreas Ruediger
Summary: Controlled post-annealing of SrTiO3 thin films on vicinal MgO (100) substrates results in the evolution of surface morphology, leading to the formation of stepped structures with enhanced periodicity. Double post-annealing treatment at 900 degrees C and 700 degrees C generates step bunching with large terraced structures, providing potential templates for the growth of functional materials.
APPLIED SURFACE SCIENCE
(2021)
Article
Chemistry, Multidisciplinary
Alexandra M. Pak, Elena A. Maiorova, Elizaveta D. Siaglova, Teimur M. Aliev, Elena N. Strukova, Aleksey V. Kireynov, Alexey A. Piryazev, Valentin V. Novikov
Summary: In this study, a biocompatible metal-organic framework MIL-100(Fe) was used to produce composite films based on ?-carrageenan and hydroxypropyl methylcellulose loaded with the active compounds of tea tree essential oil, and ensured the uniform distribution of the filler particles. The composite films showed excellent UV-blocking properties, good water vapor permeability, and moderate antibacterial activity against both Gram-negative and Gram-positive bacteria. The use of metal-organic frameworks as containers of hydrophobic molecules of natural active compounds makes the composites made from naturally occurring hydrocolloids attractive materials for active packaging of food products.
Article
Chemistry, Multidisciplinary
Hao Zhang, Jiefeng Diao, Yonghui Liu, Han Zhao, Bryan K. Y. Ng, Zhiyuan Ding, Zhenyu Guo, Huanxin Li, Jun Jia, Chang Yu, Fang Xie, Graeme Henkelman, Maria-Magdalena Titirici, John Robertson, Peter Nellist, Chunying Duan, Yuzheng Guo, D. Jason Riley, Jieshan Qiu
Summary: Facet-engineered Cu2O nanostructures with exposed crystal planes of (111) exhibit the best hydrogen evolution performance. The reduction of Cu2O during hydrogen evolution reaction (HER) leads to the growth of Cu dendrites on the surface of Cu2O nanostructures, improving the HER performance. Under illumination, the plasmon-activated electrochemical system consisting of Cu2O and in-situ generated Cu dendrites results in a significantly positive onset potential for Cu2O nanostructures. The faster transfer of photogenerated electrons from Cu dendrites to Cu2O enhances the surface plasmons activity and increases the charge density of Cu2O, bringing its energy level closer to the H+/H-2 system, which results in plasmon-enhanced HER electrocatalytic activity.
ADVANCED MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Anastasia Permyakova, Alshaba Kakar, Jonathan Bachir, Effrosyni Gkaniatsou, Bernard Haye, Nicolas Menguy, Farid Nouar, Christian Serre, Nathalie Steunou, Thibaud Coradin, Francisco M. Fernandes, Clemence Sicard
Summary: The mesoporous iron polycarboxylate MIL-100(Fe) was synthesized with the presence of Pseudomonas putida bacteria. The synthesis was done under green conditions, using pure aqueous media at 30 degrees C to ensure the integrity of the cell membrane. The resulting biohybrid showed a unique microstructure, with an exoskeleton encapsulating individual bacteria cell, suggesting strong interactions between the exopolysaccharides network and MOF precursors.
ACS MATERIALS LETTERS
(2023)
Article
Chemistry, Physical
Margareta Wagner, Fabio Calcinelli, Andreas Jeindl, Michael Schmid, Oliver T. Hofmann, Ulrike Diebold
Summary: Indium oxide is an important material with optical transparency and electrical conductivity. The adsorption behavior of CoPc on In2O3(111) surface was studied, and it was found that the molecules adsorb at two different sites, leading to differences in molecular bending and electronic structure.
Article
Multidisciplinary Sciences
Michele Reticcioli, Zhichang Wang, Michael Schmid, Dominik Wrana, Lynn A. Boatner, Ulrike Diebold, Martin Setvin, Cesare Franchini
Summary: By combining scanning probe microscopy with density functional theory calculations, this study reveals that excess charge on the polar TaO2 termination of KTaO3(001) forms complex electronic states, including charge density waves, electron polarons, and bipolarons. These surface electronic reconstructions impact surface properties.
NATURE COMMUNICATIONS
(2022)
Article
Multidisciplinary Sciences
Zhichang Wang, Michele Reticcioli, Zdenek Jakub, Igor Sokolovic, Matthias Meier, Lynn A. Boatner, Michael Schmid, Gareth S. Parkinson, Ulrike Diebold, Cesare Franchini, Martin Setvin
Summary: Polarizable materials, such as the incipient ferroelectric perovskite KTaO3, exhibit the ability to tune chemical reactivity. The adsorption states of molecules are influenced by the coupling between surface polarity and ferroelectric polarization.
Article
Chemistry, Multidisciplinary
Hao Chen, Matthias A. . Blatnik, Christian L. Ritterhoff, Igor Sokolovic, Francesca Mirabella, Giada Franceschi, Michele Riva, Michael Schmid, Jan Cechal, Bernd Meyer, Ulrike Diebold, Margareta Wagner
Summary: Clean oxide surfaces are usually hydrophilic, but the In2O3(111) surface shows chemical heterogeneity with different adsorption behaviors and structural arrangements of water molecules in different regions.
Article
Multidisciplinary Sciences
Giada Franceschi, Pavel Kocan, Andrea Conti, Sebastian Brandstetter, Jan Balajka, Igor Sokolovic, Markus Valtiner, Florian Mittendorfer, Michael Schmid, Martin Setvin, Ulrike Diebold
Summary: This study presents atomic force microscopy images to investigate the distribution of K+ ions on the cleaved mica surface under ultra-high vacuum conditions. The data reveal the presence of short-range ordering and provide insights into the distribution of subsurface Al3+ ions.
NATURE COMMUNICATIONS
(2023)
Article
Electrochemistry
Lena Puntscher, Kevin Daninger, Michael Schmid, Ulrike Diebold, Gareth S. Parkinson
Summary: Understanding the stability of metal atoms on metal oxide supports is crucial for predicting the stability of single-atom catalysts. In this study, scanning tunnelling microscopy (STM) and x-ray photoelectron spectroscopy (XPS) were used to investigate the stability of platinum, rhodium, nickel, and iridium on the anatase TiO2(101) surface. The study found that introducing defect sites into metal oxide supports can aid the dispersion of single atoms on metal-oxide surfaces, and the presence of water should be taken into account in the modelling of single-atom catalysts.
ELECTROCHIMICA ACTA
(2023)
Article
Chemistry, Physical
Petr Liska, Tomas Musalek, Tomas Samoril, Matous Kratochvil, Radovan Matula, Michal Horak, Matej Nedved, Jakub Urban, Jakub Planer, Katarina Rovenska, Petr Dvorak, Miroslav Kolibal, Vlastimil Krapek, Radek Kalousek, Tomas Sikola
Summary: We investigated the optical properties of CsPbBr3 polycrystalline thin film at a single grain level. A sample composed of isolated nanocrystals was prepared, and their structural, chemical, and optical properties were examined using correlative microscopy. Our results showed that the stoichiometry of the CsPbBr3 nanocrystals was uniform and independent of their morphology. The photoluminescence peak emission wavelength slightly depended on the dimensions of the nanocrystals, with a small blue shift detectable only by high-resolution photoluminescence mapping.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Florian Kraushofer, Matthias Meier, Zdenek Jakub, Johanna Huetner, Jan Balajka, Jan Hulva, Michael Schmid, Cesare Franchini, Ulrike Diebold, Gareth S. Parkinson
Summary: This study investigates the (111) facet of magnetite (Fe3O4) and reveals three new surface structures that are more favorable under reducing conditions. The new structures change the coordination of iron atoms to a tetrahedral configuration. Atomically-resolved microscopy confirms the presence of tetrahedral iron atoms capped by 3-fold coordinated oxygen atoms. This discovery explains the inert nature of the reduced patches.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Computer Science, Artificial Intelligence
Marco Corrias, Lorenzo Papa, Igor Sokolovic, Viktor Birschitzky, Alexander Gorfer, Martin Setvin, Michael Schmid, Ulrike Diebold, Michele Reticcioli, Cesare Franchini
Summary: Analyzing atomically resolved images is a time-consuming process that requires expertise and manual intervention. To automate and improve the efficiency of image analysis, machine learning techniques have been applied in scanning probe and electron microscopies. This work introduces a free and open source tool called AiSurf that uses scale-invariant feature transform and clustering algorithms to inspect atomically resolved images. The tool extracts crucial information from the images without pre-assumptions or extensive user intervention, making it a valuable asset for interpreting scanning probe microscopy images.
MACHINE LEARNING-SCIENCE AND TECHNOLOGY
(2023)
Correction
Chemistry, Analytical
Michael Schmid, David Rath, Ulrike Diebold
ACS MEASUREMENT SCIENCE AU
(2023)
Article
Nanoscience & Nanotechnology
Petr Bouchal, Petr Dvorak, Martin Hrton, Katarina Rovenska, Radim Chmelik, Tomas Sikola, Zdenek Bouchal
Summary: This study presents a wide-field optical imaging technique that can restore the aspect ratio and orientation of individual nanoparticles by measuring the polarization anisotropy of scattered light. This method enables the assessment and categorization of nanoparticles in various media and time-resolved imaging.
Article
Chemistry, Physical
Michael Schmid, Gareth S. Parkinson, Ulrike Diebold
Summary: This article introduces a method based on equilibrium thermodynamics for analyzing temperature-programmed desorption (TPD) experiments in surface science. The desorption rate equations are presented for different types of surface-adsorbate interactions, and the kinetics of the desorption process and quantitative determination of adsorption energy are studied. A method for extracting the distribution of adsorption energies from TPD spectra is also proposed, and the energy resolution of TPD experiments is discussed.
ACS PHYSICAL CHEMISTRY AU
(2022)
Article
Nanoscience & Nanotechnology
Petr Dvorak, Pavel Klok, Michal Kvapil, Martin Hrton, Petr Bouchal, Jan Krpensky, Vlastimil Krapek, Tomas Sikola
Summary: In this study, we demonstrate the formation of the near field with non-trivial phase distribution using surface plasmon interference devices and perform experimental quantitative imaging of that phase with near-field phase microscopy. The phase distribution can be controlled by the polarization of the external illumination and the area of the device assigned to the object wave. Comparison with numerical and analytical models confirms the origin of the near-field phase and verifies the predictive power of the models. Additionally, we show that it is possible to generate near-field plane waves with different propagation directions on a single device.
Article
Chemistry, Analytical
Michael Schmid, David Rath, Ulrike Diebold
Summary: This study investigates the issues with the traditional SG filters in smoothing data and calculating derivatives, and proposes two improved filter types. By introducing weighting with window function shape and additional corrections to the sinc function with a Gaussian-like window function, the frequency response of the filters can be greatly improved while maintaining the advantageous properties of SG filters.
ACS MEASUREMENT SCIENCE AU
(2022)
Article
Chemistry, Physical
Florian Kraushofer, Lena Haager, Moritz Eder, Ali Rafsanjani-Abbasi, Zdenek Jakub, Giada Franceschi, Michele Riva, Matthias Meier, Michael Schmid, Ulrike Diebold, Gareth S. Parkinson
Summary: The study demonstrates that high densities of single Rh adatoms can be stabilized on the alpha-Fe2O3 surface in the presence of water, in contrast to rapid sintering observed under UHV conditions. The importance of OH ligands in the stability of single atoms is highlighted, suggesting that their presence should be considered when modeling single-atom catalysis systems.
ACS ENERGY LETTERS
(2022)
