| 11. |
- Palisaitis, Justinas, 1983-, et al.
(author)
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On the Structural Stability of MXene and the Role of Transition Metal Adatoms
- 2018
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In: Nanoscale. - : Royal Society of Chemistry. - 2040-3364 .- 2040-3372. ; 10:23, s. 10850-10855
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Journal article (peer-reviewed)abstract
- In the present communication, the atomic structure and coordination of surface adsorbed species on Nb2C MXene is investigated over time. In particular, the influence of the Nb adatoms on the structural stability and oxidation behavior of the MXene is addressed. This investigation is based on plan-view geometry observations of single Nb2C MXene sheets by a combination of atomic-resolution scanning transmission electron microscopy (STEM), electron energy loss spectroscopy (EELS) and STEM image simulations.
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| 12. |
- Palisaitis, Justinas, 1983-, et al.
(author)
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Two Dimensional X-ray Diffraction Mapping of Basal Plane Orientation on SiC Substrates
- 2009
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In: ECSCRM2008,2009. - Materials Science Forum Vols. 615-617 : Trans Tech Publications. - 9780878493340 ; , s. 275-278
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Conference paper (peer-reviewed)abstract
- We have performed 2D X-ray diffraction mapping of the SiC lattice basal plane orientation over full 2” SiC substrates. Measurements of the omega angle were made in two perpendicular directions <11-20> and <1-100>, which gives the complete vectorized tilt of the basal planes. The Mapping revealed two characteristic bending behaviors on measured commercial wafers. The first is characterized by large variations in omega angle across the wafer in both crystallographic directions. The continuously changing omega angle in both directions gives the wafer an apparent rotationally symmetric bending which is concave towards the growth direction. The second characteristic behavior is seen in wafers with lower degree of omega angle variation. The variations in this type of wafers are not changing linearly, but are bending the basal planes with two-fold symmetry.
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| 13. |
- Pališaitis, Justinas, 1983-
(author)
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Valence Electron Energy Loss Spectroscopy of III-Nitride Semiconductors
- 2012
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Doctoral thesis (other academic/artistic)abstract
- This doctorate thesis covers both experimental and theoretical investigations of the optical responses of the group III-nitrides (AlN, GaN, InN) and their ternary alloys. The goal of this research has been to explore the usefulness of valence electron energy loss spectroscopy (VEELS) for materials characterization of group III-nitride semiconductors at the nanoscale. The experiments are based on the evaluation of the bulk plasmon characteristics in the low energy loss part of the EEL spectrum since it is highly dependent on the material’s composition and strain. This method offers advantages as being fast, reliable, and sensitive. VEELS characterization results were corroborated with other experimental methods like X-ray diffraction and Rutherford backscattering spectrometry as well as full-potential calculations (Wien2k). Investigated III-nitride structures were grown using magnetron sputtering epitaxy and metal organic chemical vapor deposition techniques.Initially, it was demonstrated that EELS in the valence region is a powerful method for a fast compositional analysis of the Al1-xInxN (0≤x≤1) system. The bulk plasmon energy follows a linear relation with respect to the lattice parameter and composition in Al1-xInxN layers. Furthermore, the effect of strain on valence EELS was investigated. It was experimentally determined that the AlN bulk plasmon peak experiences a shift of 0.156 eV per 1% volume change at constant composition. The experimental results were corroborated by full-potential calculations, which showed that the bulk plasmon peak position varies nearly linearly with the unit-cell volume, at least up to 3% volume change.Employing the bulk plasmon energy loss, compositional characterization was also applied to confined structures, such as nanorods and quantum wells (QWs). Compositional profiling of spontaneously formed AlInN nanorods with varying In concentration was realized in cross-sectional and plan-view geometries. It was established that the structures exhibit a core-shell structure, where the In concentration in the core is higher than in the shell. The growth of InGaN/GaN multiple QWs with respect to composition and interface homogeneities was investigated. It was found that at certain compositions and thicknesses of QWs, where phase separation does not occur due to spinodal decomposition. Instead, QWs develop quantum dot like features inside the well as a consequence of Stranski-Krastanov-type growth mode, and delayed In incorporation into the structure.The thermal stability and degradation mechanisms of Al1-xInxN (0≤x≤1) films with different In contents, stacked in a multilayer sample, and different periodicity Al1-xInxN/AlN multilayer films, was investigated by performing a thermal annealing in combination with VEELS mapping in-situ. It was concluded that the In content in the Al1-xInxN layer determines the thermal stability and decomposition path. Finally, the phase separation by spinodal decomposition of different periodicity AlInN/AlN layers, with a starting composition inside the miscibility gap, was explored.
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| 14. |
- Persson, Ingemar, 1985-
(author)
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Surface characterization of 2D transition metal carbides (MXenes)
- 2019
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Doctoral thesis (other academic/artistic)abstract
- Research on two-dimensional (2D) materials is a rapidly growing field owing to the wide range of new interesting properties found in 2D structures that are vastly different from their three-dimensional (3D) analogues. In addition, 2D materials embodies a significant surface area that facilitates a high degree of surface reactions per unit volume or mass, that is imperative in many applications such as catalysis, energy storage, energy conversion, filtration, and single molecule sensing. MXenes constitute a family of 2D materials consisting of transition metal carbides and/or nitrides, which are typically formed after selective etching of their 3D parent MAX phases. The latter, are a family of nanolaminated compounds that typically follow the formula Mn+1AXn (n=1-3), where M is a transition metal, A is a group 13 or 14 element, and X is C and or N. Selective etching by aqueous F- containing acids removes the A layer leaving 2D Mn+1Xn slabs instantly terminated by a mix of O-, OH- and F-groups. The first and most investigated MXene is Ti3C2TX, where TX stands for surface termination, which has shown record properties in a range of applications (eg. electrode in Li-batteries, supercapacitors, sieving membrane, electromagnetic interference shielding, and carbon capture). Adding to that, over 30 different MXenes have been discovered since 2011, exhibiting alternative or superior properties. Most importantly, elegant routes for property design in the MXene family has been demonstrated, by means of either varying the chemistry in the Mn+1Xn compound, by alloying two M elements, or by changing the structure of the MXene by introducing vacancies.The present work has a led to an additional route for post synthesis property tuning in MXenes by manipulation of surface termination elements. This enables a unique toolbox for property tuning which is not available to other 2D materials and is highly beneficial for applications that is dependent on surface reactions. Furthermore, chemical and structural characterization of terminations on single sheets is essential to rule out the influence of intercalants or contamination that is typically present in multilayer MXene samples or thin films. For that purpose, a method for preparing isolated contamination free single sheets of MXene samples for transmission electron microscopy (TEM) characterization was established. In order to determine vacancy and termination sites, atomically resolved scanning (S)TEM imaging and image simulations was carried out. Two main processes were employed to substitute the termination elements.1) An initial thermal treatment in vacuum facilitates F desorption and it was shown that O-terminations rearranges on the evacuated sites. H2 gas exposure in a controlled environment demonstrated a removal of the remaining O-terminations. As a result, termination-free MXene is possible to realize under vacuum conditions.2) CO2 was introduced as a first non-inherent termination on MXene by in situ CO2 gas exposure at low temperatures. That was a first demonstration of Ti3C2TX as promising material for carbon capture. Additionally, O-saturated surfaces were demonstrated after introduction of O2 gas on the F-depleted Ti3C2TX MXene, which is highly relevant for hydrogen evolution reactions where fully O-terminated Ti3C2TX are predicted to improve efficiency.A Lewis acid melt synthesis method was used to realize the first MXene exclusively terminated with Cl. Moreover, this was the first report of a MXene directly synthesised with terminations other than O, OH, and F.Furthermore, we have expanded the space of property tuning by introduction of chemical ordering, by selective etching of Y in an alloyed (Mo2/3Y1/3)2CTX MXene. This either produced chemical ordering with one M (Mo) element and vacancies, or ordering between two M (Mo and Y) elements. This was further reported to significantly increase volumetric capacitance because of the increased number of active sites around vacancies, leading to an increasing charge density. As a final note, the stability of Nb2CTX MXene under ambient conditions was investigated. It was found that the surface Nb adatoms, present after etching, got oxidized over time which resulted in local clustering and effectively degraded the MXene.This work has demonstrated reproducible surface characterization methods for determining termination elements and sites in 2D MXenes, that is ultimately governing MXene properties. Most importantly, we report on a new approach for MXene property tuning as well as contributing to several existing property tuning approaches.
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| 15. |
- Pshyk, Oleksandr V., 1990-, et al.
(author)
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Discovery of Guinier-Preston zone hardening in refractory nitride ceramics
- 2023
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In: Acta Materialia. - : Elsevier. - 1359-6454 .- 1873-2453. ; 255
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Journal article (peer-reviewed)abstract
- Traditional age hardening mechanisms in refractory ceramics consist of precipitation of fine particles. These processes are vital for widespread wear-resistant coating applications. Here, we report novel Guinier-Preston zone hardening, previously only known to operate in soft light-metal alloys, taking place in refractory ceramics like multicomponent nitrides. The added superhardening, discovered in thin films of Ti-Al-W-N upon high temperature annealing, comes from the formation of atomic-plane-thick W disks populating {111} planes of the cubic matrix, as observed by atomically resolved high resolution scanning transmission electron microscopy and corroborated by ab initio calculations and molecular dynamics simulations. Guinier-Preston zone hardening concurrent with spinodal decomposition is projected to exist in a range of other ceramic solid solutions and thus provides a new approach for the development of advanced materials with outstanding mechanical properties and higher operational temperature range for the future demanding applications.
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| 16. |
- Serban, Alexandra, 1988-, et al.
(author)
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Magnetron Sputter Epitaxy of High-Quality GaN Nanorods on Functional and Cost-Effective Templates/Substrates
- 2017
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In: Energies. - Basel, Switzerland : MDPI AG. - 1996-1073. ; 10:9
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Journal article (peer-reviewed)abstract
- We demonstrate the versatility of magnetron sputter epitaxy by achieving high-quality GaN nanorods on different substrate/template combinations, specifically Si, SiC, TiN/Si, ZrB2/Si, ZrB2/SiC, Mo, and Ti. Growth temperature was optimized on Si, TiN/Si, and ZrB2/Si, resulting in increased nanorod aspect ratio with temperature. All nanorods exhibit high purity and quality, proved by the strong bandedge emission recorded with cathodoluminescence spectroscopy at room temperature as well as transmission electron microscopy. These substrates/templates are affordable compared to many conventional substrates, and the direct deposition onto them eliminates cumbersome post-processing steps in device fabrication. Thus, magnetron sputter epitaxy offers an attractive alternative for simple and affordable fabrication in optoelectronic device technology.
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| 17. |
- Serban, Elena Alexandra, 1988-, et al.
(author)
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Site-controlled growth of GaN nanorod arrays by magnetron sputter epitaxy
- 2018
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In: Thin Solid Films. - : Elsevier. - 0040-6090 .- 1879-2731. ; 660, s. 950-955
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Journal article (peer-reviewed)abstract
- Catalyst-free GaN nanorod regular arrays have been realized by reactive magnetron sputter epitaxy. Two nanolithographic methods, nanosphere lithography (NSL) and focused ion beam lithography (FIBL), were applied to pattern Si substrates with TiNx masks. The growth temperature was optimized for achieving selectivity and well-faceted nanorods grown onto the NSL-patterned substrates. With increasing temperature from 875 to 985 °C, we observe different growth behaviors and associate them with selective insensitive, diffusion-dominated, and desorption-dominated zones. To further achieve site-specific and diameter control, these growth parameters were transferred onto FIBL-patterned substrates. Further investigation into the FIBL process through tailoring of milling current and time in combination with varying nanorod growth temperature, suggests that minimization of mask and substrate damage is the key to attain uniform, well-defined, single, and straight nanorods. Destruction of the mask results in selective area growth failure, while damage of the substrate surface promotes inclined nanorods grown into the openings, owning to random oriented nucleation.
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| 18. |
- Shu, Rui, et al.
(author)
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Solid-State Janus Nanoprecipitation Enables Amorphous-Like Heat Conduction in Crystalline Mg3Sb2-Based Thermoelectric Materials
- 2022
-
In: Advanced Science. - : Wiley. - 2198-3844. ; 9:25
-
Journal article (peer-reviewed)abstract
- Solid-state precipitation can be used to tailor material properties, ranging from ferromagnets and catalysts to mechanical strengthening and energy storage. Thermoelectric properties can be modified by precipitation to enhance phonon scattering while retaining charge-carrier transmission. Here, unconventional Janus-type nanoprecipitates are uncovered in Mg3Sb1.5Bi0.5 formed by side-by-side Bi- and Ge-rich appendages, in contrast to separate nanoprecipitate formation. These Janus nanoprecipitates result from local comelting of Bi and Ge during sintering, enabling an amorphous-like lattice thermal conductivity. A precipitate size effect on phonon scattering is observed due to the balance between alloy-disorder and nanoprecipitate scattering. The thermoelectric figure-of-merit ZT reaches 0.6 near room temperature and 1.6 at 773 K. The Janus nanoprecipitation can be introduced into other materials and may act as a general property-tailoring mechanism.
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| 19. |
- Thörnberg, Jimmy, et al.
(author)
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Microstructure and materials properties of understoichiometric TiBx thin films grown by HiPIMS
- 2020
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In: Surface & Coatings Technology. - : ELSEVIER SCIENCE SA. - 0257-8972 .- 1879-3347. ; 404
-
Journal article (peer-reviewed)abstract
- TiBx thin films with a B content of 1.43 <= x <= 2.70 were synthesized using high-power impulse magnetron sputtering (HiPIMS) and direct-current magnetron sputtering (DCMS). HiPIMS allows compositions ranging from understoichiometric to overstoichiometric dense TiBx thin films with a B/Ti ratio between 1.43 and 2.06, while DCMS yields overstoichiometric TiBx films with a B/Ti ratio ranging from 2.20 to 2.70. Excess B in overstoichiometric TiBx thin films from DCMS results in a hardness up to 37.7 +/- 0.8 GPa, attributed to the formation of an amorphous B-rich tissue phase interlacing stoichiometric TiB2 columnar structures. We furthermore show that understoichiometric TiB1.43 thin films synthesized by HiPIMS, where the deficiency of B is found to be accommodated by Ti-rich planar defects, exhibit a superior hardness of 43.9 +/- 0.9 GPa. The apparent fracture toughness and thermal conductivity of understoichiometric TiB1.43 HiPIMS films are 4.2 +/- 0.1 MPa root m and 2.46 +/- 0.22 W/(m.K), respectively, as compared to corresponding values for overstoichiometric TiB2.70 DCMS film samples of 3.1 +/- 0.1 MPa root m and 4.52 +/- 0.45 W/(mK). This work increases the fundamental understanding of understoichiometric TiBx thin films and their materials properties, and shows that understoichiometric films have properties matching or going beyond those with excess B.
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