| 1. |
- Kumar, Ankit, et al.
(författare)
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Effect of in situ electric-field-assisted growth on antiphase boundaries in epitaxial Fe3O4 thin films on MgO
- 2018
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Ingår i: Physical Review Materials. - : American Physical Society. - 2475-9953. ; 2:5
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Tidskriftsartikel (refereegranskat)abstract
- Antiphase boundaries (APBs) normally form as a consequence of the initial growth conditions in all spinel ferrite thin films. These boundaries result from the intrinsic nucleation and growth mechanism, and are observed as regions where the periodicity of the crystalline lattice is disrupted. The presence of APBs in epitaxial films of the inverse spinel Fe3O4 alters their electronic and magnetic properties due to strong antiferromagnetic (AF) interactions across these boundaries. We explore the effect of using in-plane in situ electric-field-assisted growth on the formation of APBs in heteroepitaxial Fe3O4(100)/MgO(100) thin films. The electric-field-assisted growth is found to reduce the AF interactions across APBs and, as a consequence, APB-free thin-film-like properties are obtained, which have been probed by electronic, magnetic, and structural characterization. The electric field plays a critical role in controlling the density of APBs during the nucleation process by providing an electrostatic force acting on adatoms and therefore changing their kinetics. This innovative technique can be employed to grow epitaxial spinel thin films with controlled AF interactions across APBs.
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| 2. |
- Alfakes, Boulos, et al.
(författare)
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Enhanced photoelectrochemical performance of atomic layer deposited Hf-doped ZnO
- 2020
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Ingår i: Surface & Coatings Technology. - : Elsevier BV. - 0257-8972 .- 1879-3347. ; 385
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Tidskriftsartikel (refereegranskat)abstract
- Generation of hydrogen using photoelectrochemical (PEC) water splitting has attracted researchers for the last two decades. Several materials have been utilized as a photoanode in a water splitting cell, including ZnO due to its abundance, low production cost and suitable electronic structure. Most research attempts focused on doping ZnO to tailor its properties for a specific application. In this work, atomic layer deposition (ALD) was used to precisely dope ZnO with hafnium (Hf) in order to enhance its PEC performance. The resultant doped materials showed a significant improvement in PEC efficiency compared to pristine ZnO, which is linked directly to Hf introduction revealed by detailed optical, structural and electrical analyses. The photocurrent obtained in the best performing Hf-doped sample (0.75 wt% Hf) was roughly threefold higher compared to the undoped ZnO. Electrochemical impedance spectroscopy (EIS) and open-circuit potential-decay (OCPD) measurements confirmed suppression in photocarriers' surface recombination in the doped films, which led to a more efficient PEC water oxidation. The enhanced PEC performance of Hf-doped ZnO and effectiveness of the used metal dopant are credited to the synergistic optimization of chemical composition, which enhanced the electrical, structural including morphological, and optical properties of the final material, making Hf-doping an attractive candidate for novel PEC electrodes.
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| 3. |
- André, Benny, et al.
(författare)
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Friction and contact resistance of nanocomposite Ti-Ni-C coatings
- 2011
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Ingår i: Wear. - : Elsevier BV. - 0043-1648 .- 1873-2577. ; 270:9-10, s. 555-566
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Tidskriftsartikel (refereegranskat)abstract
- Ceramic nanocomposite coatings in the Ti-Ni-C were deposited using PVD and studied with respect to tribological properties and contact resistance. It was shown that coatings could be deposited combining of a low contact resistance and a low friction coefficient against silver, making them suitable for use in high performance electrical contacts.Nine coatings with different amounts of C and Ni were deposited. Coatings on flat Ni plated copper substrates were tested in a tribological ball-on-disc setup against ball bearing steel balls. Depending on primarily the amount of carbon the coatings showed very different friction coefficient and wear rate. The coatings were also deposited on cylindrical Ni plated copper substrates. Using geometrically identical silver plated cylinders as counter surface these were evaluated in a test setup better resembling a real life electrical contact. For most coatings a low electrical contact resistance was measured. The evolution of friction coefficient and contact resistance was correlated to wear marks and contact tracks, with their generated tribofilms, as examined after testing using electron microscopy, Raman spectroscopy and X-ray photoelectron spectroscopy.
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| 4. |
- Casillas Trujillo, Luis, et al.
(författare)
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Experimental and theoretical evidence of charge transfer in multi-component alloys : how chemical interactions reduce atomic size mismatch
- 2021
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Ingår i: Materials Chemistry Frontiers. - : Royal Society of Chemistry. - 2052-1537. ; 5:15, s. 5746-5759
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Tidskriftsartikel (refereegranskat)abstract
- Ab initio simulations of a multi-component alloy using density functional theory (DFT) were combined with experiments on thin films of the same material using X-ray photoelectron spectroscopy (XPS) to study the connection between the electronic and atomic structures of multi-component alloys. The DFT simulations were performed on an equimolar HfNbTiVZr multi-component alloy. Structure and charge transfer were evaluated using relaxed, non-relaxed, as well as elemental reference structures. The use of a fixed sphere size model allowed quantification of charge transfer, and separation into different contributions. The charge transfer was generally found to follow electronegativity trends and results in a reduced size mismatch between the elements, and thus causes a considerable reduction of the lattice distortions compared to a traditional assumption based on tabulated atomic radii. A calculation of the average deviation from the average radius (i.e. the so-called δ-parameter) based on the atomic Voronoi volumes gave a reduction of δ from ca. 6% (using the volumes in elemental reference phases) to ca. 2% (using the volumes in the relaxed multi-component alloy phase). The reliability of the theoretical results was confirmed by XPS measurements of a Hf22Nb19Ti18V19Zr21 thin film deposited by sputter deposition. The experimentally observed core level binding energy shifts (CLS), as well as peak broadening due to a range of chemical surroundings, for each element showed good agreement with the calculated DFT values. The single solid solution phase of the sample was confirmed by X-ray diffraction (XRD) and transmission electron microscopy (TEM) including energy dispersive spectroscopy (EDS) with nm-resolution. These observations show that the HfNbTiVZr solid solution phase is non-ideal, and that chemical bonding plays an important part in the structure formation, and presumably also in the properties. Our conclusions should be transferable to other multi-component alloy systems, as well as some other multi-component material systems, and open up interesting possibilities for the design of material properties via the electronic structure and controlled charge transfer between selected metallic elements in the materials.
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| 5. |
- Cedervall, Johan, et al.
(författare)
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On the structural and magnetic properties of the double perovskite Nd2NiMnO6Nd2NiMnO6
- 2019
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Ingår i: Journal of Materials Science: Materials in Electronics. - : Springer Science and Business Media LLC. - 1573-482X .- 0957-4522. ; 30:17, s. 16571-16578
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Tidskriftsartikel (refereegranskat)abstract
- The structural, electronic and magnetic properties of phase pure and stoichiometric samples of the double perovskite Nd 2NiMnO 6 have been investigated with a combination of X-ray and neutron diffraction, X-ray photoelectron spectroscopy and magnetometry. It is found that the monoclinic space group P2 1/ n best describes the crystal structure of Nd 2NiMnO 6. Photoectron spectroscopy revels a mixed valence of the transition metal sites where Ni has 3+/2+ oxidation states and Mn has 3+/4+. The compound orders ferromagnetically at ∼195 K. The magnetic structure was determined from the refinement of the neutron diffraction data. The results suggests that the B-site magnetic moments align along the crystallographic a-direction.
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| 6. |
- Fernandes, Arthur B., et al.
(författare)
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Recoverable and Reusable Polymer Microbead-Supported Metal Nanocatalysts for Redox Chemical Transformations
- 2020
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Ingår i: ACS APPLIED NANO MATERIALS. - : AMER CHEMICAL SOC. - 2574-0970. ; 3:2, s. 1722-1730
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Tidskriftsartikel (refereegranskat)abstract
- Metal nanoparticles have been widely exploited in catalysis, but their full impact on the environment and human health is still under debate. Here we describe the one-step fabrication of recoverable and reusable polymer microbead-supported metal and metal oxide nanocatalysts for application in batch reactions and flow systems. Au, Ag, and Fe3O4 nanoparticles were prepared directly at the surface of commercial benzylamine-coated spherical polymer beads in water by using low-energy microwave radiation for 5 min. The functionalization of microbead surface with betalamic acid, an antioxidant from plant origin, before irradiation changes the morphology and catalytic properties of the grafted nanoparticles. No leaching of the active phase was observed during the application of these effective and ready-to-use nanocatalysts on the reduction of 4-nitrophenol and oxidation of dihydrorhodamine 123. The supported nanocatalysts were recovered by filtration and/or magnetic separation and reused up to three times without significant drop in catalytic performance. These results can stimulate the controlled and facile synthesis of recoverable microbead-supported magnetic and nonmagnetic nanocatalysts that can be applied under myriad reaction conditions and reused multiple times.
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| 7. |
- Folkenant, Matilda, et al.
(författare)
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Structure and properties of Cr–C/Ag films deposited by magnetron sputtering
- 2015
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Ingår i: Surface & Coatings Technology. - : Elsevier. - 0257-8972 .- 1879-3347. ; 281, s. 184-192
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Tidskriftsartikel (refereegranskat)abstract
- Cr–C/Ag thin films with 0–14 at.% Ag have been deposited by magnetron sputtering from elemental targets. The samples were analyzed by X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy (XPS) and scanning electron microscopy (SEM) to study their structure and chemical bonding. A complex nanocomposite structure consisting of three phases; nanocrystalline Ag, amorphous CrCx and amorphous carbon is reported. The carbon content in the amorphous carbide phase was determined to be 32–33 at.% C, independent of Ag content. Furthermore, SEM and XPS results showed higher amounts of Ag on the surface compared to the bulk. The hardness and Young's modulus were reduced from 12 to 8 GPa and from 270 to 170 GPa, respectively, with increasing Ag content. The contact resistance was found to decrease with Ag addition, with the most Ag rich sample approaching the values of an Ag reference sample. Initial tribological tests gave friction coefficients in the range of 0.3 to 0.5, with no clear trends. Annealing tests show that the material is stable after annealing at 500 °C for 1 h, but not after annealing at 800 °C for 1 h. In combination, these results suggest that sputtered Cr–C/Ag films could be potentially applicable for electric contact applications.
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| 8. |
- Fritze, Stefan, et al.
(författare)
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Elemental distribution and fracture properties of magnetron sputtered carbon supersaturated tungsten films
- 2024
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Ingår i: Surface & Coatings Technology. - : Elsevier BV. - 0257-8972 .- 1879-3347. ; 477
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Tidskriftsartikel (refereegranskat)abstract
- The combination of strength and toughness is a major driving force for alloy design of protective coatings, and nanocrystalline tungsten (W)-alloys have shown to be promising candidates for combining strength and toughness. Here we investigate the elemental distribution and the fracture toughness of carbon (C) alloyed W thin films prepared by non-reactive magnetron sputtering. W:C films with up to ~4 at.% C crystallize in a body-centered-cubic structure with a strong 〈hh0〉texture, and no additional carbide phases are observed in the diffraction pattern. Atom probe tomography and X-ray photoelectron spectroscopy confirmed the formation of such a supersaturated solid solution. The pure W film has a hardness ~13 GPa and the W:C films exhibit a peak hardness of ~24 GPa. In-situ micromechanical cantilever bending tests show that the fracture toughness decreases from ~4.5 MPa·m1/2 for the W film to ~3.1 MPa·m1/2 for W:C films. The results show that C can significantly enhance the hardness of W thin films while retaining a high fracture toughness.
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| 9. |
- Fritze, Stefan, et al.
(författare)
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Hard and crack resistant carbon supersaturated refractory nanostructured multicomponent coatings
- 2018
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Ingår i: Scientific Reports. - : NATURE PUBLISHING GROUP. - 2045-2322. ; 8
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Tidskriftsartikel (refereegranskat)abstract
- The combination of ceramic hardness with high crack resistance is a major challenge in the design of protective thin films. High entropy alloys have shown in earlier studies promising mechanical properties with a potential use as thin film materials. In this study, we show that small amounts of carbon in magnetron-sputtered multicomponent CrNbTaTiW films can lead to a significant increase in hardness. The film properties were strongly dependent on the metal composition and the most promising results were observed for TaW-rich films. They crystallised in a bcc structure with a strong (110) texture and coherent grain boundaries. It was possible to deposit films with 8 at.% C in a supersaturated solid-solution into the bcc structure without carbide formation. A major effect of carbon was a significant grain refinement, reducing the column diameter from approximately 35 to 10 nm. This resulted in an increase in hardness from 14.7 to 19.1 GPa while the reduced E-modulus stayed constant at 322 GPa. The carbon-containing films exhibited extremely little plastic deformation around the indent and no cracks were observed. These results show that supersaturation of carbon into high entropy films can be a promising concept to combine superior hardness with high crack resistance.
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| 10. |
- Fritze, Stefan, et al.
(författare)
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Influence of Carbon on Microstructure and Mechanical Properties of Magnetron Sputtered TaW Coatings
- 2020
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Ingår i: Materials & design. - : Elsevier. - 0264-1275 .- 1873-4197. ; 196
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Tidskriftsartikel (refereegranskat)abstract
- (Ta,W) and (Ta,W):C films with-5 at.% C were deposited by non-reactive magnetron sputtering. They crystallised in a bcc structure with a columnar microstructure. The solid solubility of C in (Ta,W) alloys is very low, which suggests that the (Ta,W):C films are supersaturated with respect to carbon. This was confirmed by diffraction and atom probe tomography (APT) showing that carbon is in the as-deposited (Ta,W):C films homogeneously distributed in the structure without carbide formation or carbon segregation. Annealing at 900 degrees C for 2 h showed no significant column coarsening but an increased defect density at the column boundaries in the (Ta,W):C films. The films were still supersaturated with respect to carbon but APT showed a partial segregation of carbon presumably to defect-rich column boundaries after annealing. The (Ta,W) films exhibited a hardness of-12-13 GPa. Alloying with carbon increased the hardness to-17 GPa. The hardness increased to-19 GPa for the annealed (Ta,W):C films. This annealing-induced hardness increase was explained by C segregation to the more defect-rich column boundaries, which restricts dislocation movements. (Ta,W):C coatings may be a potential alternative to ceramic coatings, worth exploring further by small scale mechanical testing to investigate if these materials are ductile.
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