A5090657356- Metal and Thin Film Mechanics
- MXene and MAX Phase Materials
- Boron and Carbon Nanomaterials Research
- Graphene research and applications
- Semiconductor materials and devices
- 2D Materials and Applications
- Quantum and electron transport phenomena
- Intermetallics and Advanced Alloy Properties
- Diamond and Carbon-based Materials Research
- Advanced ceramic materials synthesis
- Advanced Photocatalysis Techniques
- Adhesion, Friction, and Surface Interactions
- GaN-based semiconductor devices and materials
- Magnetic properties of thin films
- Advanced Physical and Chemical Molecular Interactions
- Surface and Thin Film Phenomena
- Nuclear Materials and Properties
- Physics of Superconductivity and Magnetism
- Advancements in Semiconductor Devices and Circuit Design
- Tribology and Wear Analysis
- Chemical and Physical Properties of Materials
- Titanium Alloys Microstructure and Properties
- Silicon Carbide Semiconductor Technologies
- Semiconductor materials and interfaces
- Superconductivity in MgB2 and Alloys
Linköping University
2013-2023
Thinfilm (Sweden)
2015-2021
Atlas Copco (Sweden)
2014
National Research Tomsk State University
2014
Global warming caused by burning of fossil fuels is indisputably one mankind's greatest challenges in the 21st century. To reduce ever-increasing CO2 emissions released into atmosphere, dry solid adsorbents with large surface-to-volume ratio such as carbonaceous materials, zeolites, and metal-organic frameworks have emerged promising material candidates for capturing . However, remain because limited /N2 selectivity long-term stability. The effective adsorption gas (≈12 mol kg-1 ) on...
MXenes are a rapidly growing family of 2D materials that exhibit highly versatile structure and composition, allowing for significant tuning the properties. These properties are, however, ultimately limited by surface terminations, which typically mixture species, including F O inherent to MXene processing. Other robust terminations lacking. Here, we apply high-resolution scanning transmission electron microscopy (STEM), corresponding image simulations first-principles calculations...
We propose a design route for the next generation of nitride alloys via concept multicomponent alloying based on self-organization nanoscale formation metastable intermediate products during spinodal decomposition. predict theoretically and demonstrate experimentally that quasi-ternary (TiCrAl)N decompose spinodally into (TiCr)N (CrAl)N-rich nanometer sized regions. The decomposition results in age hardening, while presence Cr within AlN phase delays detrimental wurtzite leading to...
Synthesis of delaminated 2D W1.33C (MXene) has been performed by selectively etching Al as well Sc/Y from the recently discovered nanolaminated i-MAX phases (W2/3Sc1/3)2AlC and (W2/3Y1/3)2AlC. Both quaternary produce MXenes with similar flake morphology a skeletal structure due to formation ordered vacancies. The measured O, OH, F terminations, however, differ in amount relative ratios, depending on parent material, evident X-ray photoelectron spectroscopy. These findings are correlated...
MXenes are a comparatively young class of 2D materials, composed transition-metal carbides/nitrides the general formula ${\mathrm{M}}_{n+1}{\mathrm{X}}_{n}{\mathrm{T}}_{x}$, where T represents surface terminations, typically O, OH, and/or F. Recently, new type MXene with vacancy ordering was discovered, $\mathrm{M}{\mathrm{o}}_{1.33}\mathrm{C}{\mathrm{T}}_{x}$, conduction and capacitance superior to counterpart without vacancies, $\mathrm{M}{\mathrm{o}}_{2}\mathrm{C}{\mathrm{T}}_{x}$. We...
Abstract A study of the hydrogen evolution reaction (HER) for Mo‐, W‐, and Nb‐based MXenes is presented, where W 1.33 C MXene with ordered vacancies chosen further investigation. The electrochemical measurements show that if subjected to high cathodic potentials, it greatly improves activity onset potential HER. enhancement continues improve independent whether kept fixed at a certain or scanned repeatedly. Interestingly, improvement disappears material anodic potential. Based on these...
In the present work, decomposition of unstable arc evaporated Ti0.6Al0.4N at elevated temperatures and quasihydrostatic pressures has been studied both experimentally by first-principles calculations. High pressure high temperature (HPHT) treatment samples was realized using multi anvil press diamond cell techniques. The products HPHT were investigated x-ray diffractometry transmission electron microscopy. Complimentary calculations show that hydrostatic stabilize cubic phase AlN, which is...
The structure of the SiN${}_{x}$ tissue phase in superhard TiN/SiN${}_{x}$ nanocomposites has been debated literature. We present a theoretical investigation possibility crystalline and coherent (001) interfaces that satisfies two necessary criteria, stability with respect to lattice vibrations as well variations stoichiometry. It is found one monolayer Si tetrahedrally coordinated by N B3-like geometry embedded between B1-TiN(001) surfaces both dynamically stable thermodynamically vacancy...
State-of-the-art alloys for hard coating applications, such as TiAlN, are known to suffer from decreased hardness during heat treatment in excess of 900 °C due the formation detrimental wurtzite AlN phases. Recent research has shown that multicomponent alloying with additional transition metals (TMs) Cr can shift onset phase transformations higher temperatures, but a search new is generally time-consuming large number processes influence material properties along alloy compositions have be...
Through a combination of theoretical and experimental observations we study the high temperature decomposition behavior c-(TixZryAlzN) alloys. We show that for most concentrations formation energy (ZrAl)N causes strong tendency spinodal between ZrN AlN while other decompositions tendencies are suppressed. In addition observe entropic effects due to configurational disorder favor stable Zr-rich (TiZr)N phase with increasing temperature. Our calculations also predict at temperatures Zr rich...
The true origin of the 0.25 and 0.85 conductance features which have been observed in biased split-gate quantum wires point contacts semiconductor heterostructures is debated literature; one suggestion that they are caused by spontaneous spin polarization due to electron-electron interactions. present work confirms splitting may occur within system responsible for both plateaux. We also shown plateau consists two regions, polarized, degenerate with a remains essentially same at sides...
Isostructural stability of B1-NaCl type SiN on (001) and (111) oriented ZrN surfaces is studied theoretically experimentally. The ZrN/SiNx/ZrN superlattices with modulation wavelength 3.76 nm (dSiNx∼0.4 nm) were grown by dc-magnetron sputtering MgO(001) MgO(111). results indicate that 0.4 thin SiNx layers utterly influence the preferred orientation epitaxial growth: cube-on-cube epitaxy ZrN/SiNx realized whereas multilayers MgO(111) surface exhibited an unexpected 002 texture a complex...
Abstract We have by means of first principles density functional theory calculations studied the mechanical and electronic properties so called i -MAB phases, M 4/3 ′ ″ 2/3 AlB 2 , where = Cr, Mo, W Sc, Y. These experimentally verified for Mo Sc Y display an atomically laminated structure with in-plane chemical order between elements. Structural properties, along elastic constants moduli, are predicted different structural symmetries, including reported <?CDATA $R\bar{3}m$?> <mml:math...
We report on the synthesis of computationally predicted out-of-plane chemically ordered transition metal borides labeled o-MAB phases, Ta4M″SiB2 (M″ = V, Cr), and a structurally equivalent disordered solid solution MAB phase Ta4MoSiB2. The boride phases were prepared using solid-state reaction sintering constituting elements. High-resolution scanning transmission electron microscopy along with Rietveld refinement powder-X-ray diffraction patterns revealed that synthesized Ta4CrSiB2 (98 wt %...
High-purity niobium (Nb), subjected to the processing methods used in fabrication of superconducting rf cavities, displays micrometer-sized surface patches containing excess carbon. High-resolution transmission electron microscopy and energy-loss spectroscopy measurements are presented which reveal presence nanoscale NbC coherent precipitates such regions. Raman backscatter on similar regions exhibit spectra consistent with literature results bulk but significantly enhanced two-phonon...
We discuss theoretical description of pressure-induced phase transitions by means first-principles calculations in the framework density functional theory. illustrate applications tools that allow one to take into account configurational and vibrational disorders, considering Ti–V alloys as a model system. The universality theory allows us apply it studies different phenomena occur system upon compression. Besides between crystal structures, we isostructural bcc alloys. Moreover, present...
The laminated ternary boride Mo5SiB2of T2 structure have two symmetrically inequivalent metallic sites, 16l and 4c, being occupied in a 4:1 ratio. phase was recently shown to be stable for 80% substitution of Mo Ti, at the majority site, forming an out-of-plane chemically ordered quaternary boride: Ti4MoSiB2. Considering that hypothetical Ti5SiB2is theoretically predicted as not stable, key difference bonding characteristics is indicated full Ti sites. To explore origin formation Ti4MoSiB2,...
MXenes are a rapidly growing family of 2D materials that exhibit highly versatile structure and composition, allowing for significant tuning the material properties. These properties are, however, ultimately limited by surface terminations, which typically mixture species, including F O inherent to MXene processing. Other robust terminations lacking. Here, we apply high-resolution scanning transmission electron microscopy (STEM), corresponding image simulations first-principles calculations...