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1.
  • Andersson, Per A., et al. (author)
  • Anger and disgust shape judgments of social sanctions across cultures, especially in high individual autonomy societies
  • 2024
  • In: Scientific Reports. - : Nature Research. - 2045-2322. ; 14:1
  • Journal article (peer-reviewed)abstract
    • When someone violates a social norm, others may think that some sanction would be appropriate. We examine how the experience of emotions like anger and disgust relate to the judged appropriateness of sanctions, in a pre-registered analysis of data from a large-scale study in 56 societies. Across the world, we find that individuals who experience anger and disgust over a norm violation are more likely to endorse confrontation, ostracism and, to a smaller extent, gossip. Moreover, we find that the experience of anger is consistently the strongest predictor of judgments of confrontation, compared to other emotions. Although the link between state-based emotions and judgments may seem universal, its strength varies across countries. Aligned with theoretical predictions, this link is stronger in societies, and among individuals, that place higher value on individual autonomy. Thus, autonomy values may increase the role that emotions play in guiding judgments of social sanctions.
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2.
  • van Dishoeck, E. F., et al. (author)
  • Water in star-forming regions: Physics and chemistry from clouds to disks as probed by Herschel spectroscopy
  • 2021
  • In: Astronomy and Astrophysics. - : EDP Sciences. - 0004-6361 .- 1432-0746. ; 648
  • Journal article (peer-reviewed)abstract
    • Context. Water is a key molecule in the physics and chemistry of star and planet formation, but it is difficult to observe from Earth. The Herschel Space Observatory provided unprecedented sensitivity as well as spatial and spectral resolution to study water. The Water In Star-forming regions with Herschel (WISH) key program was designed to observe water in a wide range of environments and provide a legacy data set to address its physics and chemistry. Aims. The aim of WISH is to determine which physical components are traced by the gas-phase water lines observed with Herschel and to quantify the excitation conditions and water abundances in each of these components. This then provides insight into how and where the bulk of the water is formed in space and how it is transported from clouds to disks, and ultimately comets and planets. Methods. Data and results from WISH are summarized together with those from related open time programs. WISH targeted ∼80 sources along the two axes of luminosity and evolutionary stage: from low- to high-mass protostars (luminosities from <1 to > 10Lpdbl) and from pre-stellar cores to protoplanetary disks. Lines of H2O and its isotopologs, HDO, OH, CO, and [O I], were observed with the HIFI and PACS instruments, complemented by other chemically-related molecules that are probes of ultraviolet, X-ray, or grain chemistry. The analysis consists of coupling the physical structure of the sources with simple chemical networks and using non-LTE radiative transfer calculations to directly compare models and observations. Results. Most of the far-infrared water emission observed with Herschel in star-forming regions originates from warm outflowing and shocked gas at a high density and temperature (> 10cm-3, 300-1000 K, v ∼ 25 km s-1), heated by kinetic energy dissipation. This gas is not probed by single-dish low-J CO lines, but only by CO lines with Jup > 14. The emission is compact, with at least two different types of velocity components seen. Water is a significant, but not dominant, coolant of warm gas in the earliest protostellar stages. The warm gas water abundance is universally low: orders of magnitude below the H2O/H2 abundance of 4 × 10-4 expected if all volatile oxygen is locked in water. In cold pre-stellar cores and outer protostellar envelopes, the water abundance structure is uniquely probed on scales much smaller than the beam through velocity-resolved line profiles. The inferred gaseous water abundance decreases with depth into the cloud with an enhanced layer at the edge due to photodesorption of water ice. All of these conclusions hold irrespective of protostellar luminosity. For low-mass protostars, a constant gaseous HDO/H2O ratio of ∼0.025 with position into the cold envelope is found. This value is representative of the outermost photodesorbed ice layers and cold gas-phase chemistry, and much higher than that of bulk ice. In contrast, the gas-phase NH3 abundance stays constant as a function of position in low-mass pre- and protostellar cores. Water abundances in the inner hot cores are high, but with variations from 5 × 10-6 to a few × 10-4 for low- and high-mass sources. Water vapor emission from both young and mature disks is weak. Conclusions. The main chemical pathways of water at each of the star-formation stages have been identified and quantified. Low warm water abundances can be explained with shock models that include UV radiation to dissociate water and modify the shock structure. UV fields up to 102-10times the general interstellar radiation field are inferred in the outflow cavity walls on scales of the Herschel beam from various hydrides. Both high temperature chemistry and ice sputtering contribute to the gaseous water abundance at low velocities, with only gas-phase (re-)formation producing water at high velocities. Combined analyses of water gas and ice show that up to 50% of the oxygen budget may be missing. In cold clouds, an elegant solution is that this apparently missing oxygen is locked up in larger μm-sized grains that do not contribute to infrared ice absorption. The fact that even warm outflows and hot cores do not show H2O at full oxygen abundance points to an unidentified refractory component, which is also found in diffuse clouds. The weak water vapor emission from disks indicates that water ice is locked up in larger pebbles early on in the embedded Class I stage and that these pebbles have settled and drifted inward by the Class II stage. Water is transported from clouds to disks mostly as ice, with no evidence for strong accretion shocks. Even at abundances that are somewhat lower than expected, many oceans of water are likely present in planet-forming regions. Based on the lessons for galactic protostars, the low-J H2O line emission (Eup < 300 K) observed in extragalactic sources is inferred to be predominantly collisionally excited and to originate mostly from compact regions of current star formation activity. Recommendations for future mid- to far-infrared missions are made.
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3.
  • Allentoft, Morten E., et al. (author)
  • Population genomics of post-glacial western Eurasia
  • 2024
  • In: Nature. - 0028-0836 .- 1476-4687. ; 625:7994, s. 301-311
  • Journal article (peer-reviewed)abstract
    • Western Eurasia witnessed several large-scale human migrations during the Holocene1–5. Here, to investigate the cross-continental effects of these migrations, we shotgun-sequenced 317 genomes—mainly from the Mesolithic and Neolithic periods—from across northern and western Eurasia. These were imputed alongside published data to obtain diploid genotypes from more than 1,600 ancient humans. Our analyses revealed a ‘great divide’ genomic boundary extending from the Black Sea to the Baltic. Mesolithic hunter-gatherers were highly genetically differentiated east and west of this zone, and the effect of the neolithization was equally disparate. Large-scale ancestry shifts occurred in the west as farming was introduced, including near-total replacement of hunter-gatherers in many areas, whereas no substantial ancestry shifts happened east of the zone during the same period. Similarly, relatedness decreased in the west from the Neolithic transition onwards, whereas, east of the Urals, relatedness remained high until around 4,000 bp, consistent with the persistence of localized groups of hunter-gatherers. The boundary dissolved when Yamnaya-related ancestry spread across western Eurasia around 5,000 bp, resulting in a second major turnover that reached most parts of Europe within a 1,000-year span. The genetic origin and fate of the Yamnaya have remained elusive, but we show that hunter-gatherers from the Middle Don region contributed ancestry to them. Yamnaya groups later admixed with individuals associated with the Globular Amphora culture before expanding into Europe. Similar turnovers occurred in western Siberia, where we report new genomic data from a ‘Neolithic steppe’ cline spanning the Siberian forest steppe to Lake Baikal. These prehistoric migrations had profound and lasting effects on the genetic diversity of Eurasian populations.
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4.
  • Bouhafs, Chamseddine, et al. (author)
  • Structural properties and dielectric function of graphene grown by high-temperature sublimation on 4H-SiC(000-1)
  • 2015
  • In: Journal of Applied Physics. - : American Institute of Physics (AIP). - 0021-8979 .- 1089-7550. ; 117:8, s. 085701-
  • Journal article (peer-reviewed)abstract
    • Understanding and controlling growth of graphene on the carbon face (C-face) of SiC presents a significant challenge. In this work, we study the structural, vibrational, and dielectric function properties of graphene grown on the C-face of 4H-SiC by high-temperature sublimation in an argon atmosphere. The effect of growth temperature on the graphene number of layers and crystallite size is investigated and discussed in relation to graphene coverage and thickness homogeneity. An amorphous carbon layer at the interface between SiC and the graphene is identified, and its evolution with growth temperature is established. Atomic force microscopy, micro-Raman scattering spectroscopy, spectroscopic ellipsometry, and high-resolution cross-sectional transmission electron microscopy are combined to determine and correlate thickness, stacking order, dielectric function, and interface properties of graphene. The role of surface defects and growth temperature on the graphene growth mechanism and stacking is discussed, and a conclusion about the critical factors to achieve decoupled graphene layers is drawn. (C) 2015 AIP Publishing LLC.
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5.
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6.
  • Dahlqvist, Martin, et al. (author)
  • Complex magnetism in nanolaminated Mn2GaC
  • 2014
  • Other publication (other academic/artistic)abstract
    • We have used first-principles calculations and Heisenberg Monte Carlo simulations to search for the magnetic ground state of Mn2GaC, a recently synthesized magnetic nanolaminate. We have, independent on method, identified a range of low energy collinear as well as non-collinear magnetic configurations, indicating a highly frustrated magnetic material with several nearly degenerate magnetic states. An experimentally obtained magnetization of only 0.29 per Mn atom in Mn2GaC may be explained by canted spins in an antiferromagnetic configuration of ferromagnetically ordered sub-layers with alternating spin orientation, denoted AFM[0001]. Furthermore, low temperature X-ray diffraction show a new basal plane peak appearing upon a magnetic transition, which is consistent with the here predicted change in inter-layer spacing for the AFM[0001] configuration.
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7.
  • Ekström, Erik, et al. (author)
  • The effects of microstructure, Nb content and secondary Ruddlesden-Popper phase on thermoelectric properties in perovskite CaMn1-xNbxO3 (x=0-0.10) thin films
  • 2020
  • In: RSC Advances. - : Royal Society of Chemistry. - 2046-2069. ; 10:13, s. 7918-7926
  • Journal article (peer-reviewed)abstract
    • CaMn1-xNbxO3 (x = 0, 0.5, 0.6, 0.7 and 0.10) thin films have been grown by a two-step sputtering/annealing method. First, rock-salt-structured (Ca,Mn1-x,Nb-x)O thin films were deposited on 11 & x304;00 sapphire using reactive RF magnetron co-sputtering from elemental targets of Ca, Mn and Nb. The CaMn1-xNbxO3 films were then obtained by thermally induced phase transformation from rock-salt-structured (Ca,Mn1-xNbx)O to orthorhombic during post-deposition annealing at 700 degrees C for 3 h in oxygen flow. The X-ray diffraction patterns of pure CaMnO3 showed mixed orientation, while Nb-containing films were epitaxially grown in [101] out of-plane-direction. Scanning transmission electron microscopy showed a Ruddlesden-Popper (R-P) secondary phase in the films, which results in reduction of the electrical and thermal conductivity of CaMn1-xNbxO3. The electrical resistivity and Seebeck coefficient of the pure CaMnO3 film were measured to 2.7 omega cm and -270 mu V K-1 at room temperature, respectively. The electrical resistivity and Seebeck coefficient were reduced by alloying with Nb and was measured to 0.09 omega cm and -145 mu V K-1 for x = 0.05. Yielding a power factor of 21.5 mu W K-2 m(-1) near room temperature, nearly eight times higher than for pure CaMnO3 (2.8 mu W K-2 m(-1)). The power factors for alloyed samples are low compared to other studies on phase-pure material. This is due to high electrical resistivity originating from the secondary R-P phase. The thermal conductivity of the CaMn1-xNbxO3 films is low for all samples and is the lowest for x = 0.07 and 0.10, determined to 1.6 W m(-1) K-1. The low thermal conductivity is attributed to grain boundary scattering and the secondary R-P phase.
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8.
  • Halim, Joseph, et al. (author)
  • Electronic and optical characterization of 2D Ti2C and Nb2C (MXene) thin films
  • 2019
  • In: Journal of Physics. - : IOP PUBLISHING LTD. - 0953-8984 .- 1361-648X. ; 31:16
  • Journal article (peer-reviewed)abstract
    • Two-dimensional (2D) transition metal carbides and/or nitrides (MXenes) are a new class of 2D materials, with extensive opportunities for property tailoring due to the numerous possibilities for varying chemistries and surface terminations. Here, Ti2AlC and Nb2AlC MAX phase epitaxial thin films were deposited on sapphire substrates by physical vapor deposition. The films were then etched in LiF/HCl solutions, yielding Li-intercalated, 2D Ti2CTz and Nb2CTz films, whose terminations, transport and optical properties were characterized. The former exhibits metallic conductivity, with weak localization below 50 K. In contrast, the Nb-based film exhibits an increase in resistivity with decreasing temperature from RT down to 40K consistent with variable range hopping transport. The optical properties of both films were determined from spectroscopic ellipsometry in the 0.75 to 3.50 eV range. The results for Ti2Clz films confirm the metallic behavior. In contrast, no evidence of metallic behavior is observed for the Nb2CT(z) film. The present work therefore demonstrates that one fruitful approach to alter the electronic and optical properties of MXenes is to change the nature of the transition metal.
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9.
  • Halim, Joseph, et al. (author)
  • Sodium hydroxide and vacuum annealing modifications of the surface terminations of a Ti3C2 (MXene) epitaxial thin film
  • 2018
  • In: RSC Advances. - : ROYAL SOC CHEMISTRY. - 2046-2069. ; 8:64, s. 36785-36790
  • Journal article (peer-reviewed)abstract
    • We investigate, and quantify, changes in structure and surface terminations of epitaxial thin films of titanium carbide (Ti3C2) MXene, when treated by sodium hydroxide solution followed by vacuum annealing at 550 degrees C. Using X-ray photoelectron spectroscopy and scanning transmission electron microscopy, we show that NaOH treatment produce an increase in the c-lattice parameter together with an increase in the O terminations and a decrease in the F terminations. There is also an increase in the percentage of the binding energy of Ti-species in Ti 2p XPS region, which suggests an increase in the overall oxidation state of Ti. After subsequent annealing, the c-lattice parameter is slightly reduced, the overall oxidation state of Ti is decreased, and the F surface terminations are further diminished, leaving a surface with predominantly O as the surface terminating species. It is important to note that NaOH treatment facilitates removal of F at lower annealing temperatures than previously reported, which in turn is important for the range of attainable properties.
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10.
  • Muratov, Dmitry S., et al. (author)
  • Slot-Die-Printed Two-Dimensional ZrS3 Charge Transport Layer for Perovskite Light-Emitting Diodes
  • 2019
  • In: ACS Applied Materials and Interfaces. - : AMER CHEMICAL SOC. - 1944-8244 .- 1944-8252. ; 11:51, s. 48021-48028
  • Journal article (peer-reviewed)abstract
    • Liquid-phase exfoliation of zirconium trisulfide (ZrS3) was used to produce stable and ready-to-use inks for solution-processed semiconductor thin-film deposition. Ribbon-like layered crystals of ZrS3 were produced by the chemical vapor transport method and were then exfoliated in three different solvents: dimethylformamide, ethanol, and isopropyl alcohol. The resulting ZrS3 dispersions were compared for stability and the ability to form continuous films on top of the perovskite layer in light-emitting diodes with the ITO/PEDOT:PSS/MAPbBr(3)/2D-ZrS3/LiF/Al structure. Film deposition was performed by using either spray or slot-die coating methods. The slot-die coating route proved to produce better and more uniform films with respect to spray coating. We found that the 2D ZrS3 electron injection layer (EIL) stabilized the interface between the perovskite and LiF/Al cathode, reducing the turn-on voltage to 2.8 V and showing a luminance that does not degrade during voltage sweep. On the other hand, ELL-free devices show electroluminescence on the first voltage sweep that reduces almost to zero in the subsequent sweeps. Combining physical device simulation and density functional theory calculation, we are able to explain these results in terms of lowering the electron injection barrier at the cathode.
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11.
  • Papamichail, A., et al. (author)
  • Compositionally graded channel HEMTs towards improved linearity for low-noise RF amplifiers
  • 2022
  • In: 2022 Compound Semiconductor Week, CSW 2022.
  • Conference paper (peer-reviewed)abstract
    • Although AlGaN/GaN HEMTs with high power and current gain have been demonstrated in RF device applications, at high signal operation they show an inherent non-linear behavior which leads to gain compression and signal distortion. Polarization-doped AlGaN/GaN HEMTs, with a compositionally graded channel enables a linear response improvement through formation of a 3-D electron gas. In this work, we develop the growth process for graded channel HEMTs in a hot-wall MOCVD reactor. Control of the grading profile is established through growth parameter tuning. Afterwards, analysis by EDS allows for precise determination of Al composition across the channel. Conventional and graded channel HEMT structures were fabricated and characterized. Furthermore, the sheet resistance, carrier density and mobility in HEMT structures with different grading profiles are compared and discussed. The conventional (non-graded) structure revealed the highest electron mobility of ~2350 cm2/V.s, which is among the highest values reported.
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12.
  • Singh, Niraj Kumar, et al. (author)
  • Electron-phonon coupling and quantum correction to topological magnetoconductivity in Bi2GeTe4
  • 2022
  • In: Physical Review B. - : AMER PHYSICAL SOC. - 2469-9950 .- 2469-9969. ; 105:4
  • Journal article (peer-reviewed)abstract
    • We report structure, vibrational properties, and weak antilocalization-induced quantum correction to magnetoconductivity in single-crystal Bi2GeTe4. Surface band-structure calculations show a single Dirac cone corresponding to topological surface states in Bi2GeTe4. An estimated phase coherence length, lΦ ~ to 143 nm and prefactor α~-1.54 from Hikami-Larkin-Nagaoka fitting of magnetoconductivity describe the quantum correction to conductivity. An anomalous temperature dependence of A1g Raman modes confirms enhanced electron-phonon interactions. Our results establish that electrons of the topological state can interact with the phonons involving the vibrations of Bi-Te in Bi2GeTe4.
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13.
  • Xie, Mengyao, et al. (author)
  • Structural, free-charge carrier and phonon properties of zinc-blende and wurtizte polymorphs in InN epitaxial layers
  • Other publication (other academic/artistic)abstract
    • We present a comprehensive study of the structural, phonon and free electron properties of zincblende InN films containing inclusion of wurtzite InN. Appropriate methods based on X-ray diffraction and Infrared spectroscopic ellipsometry to identify wurtizte and zinc-blende InN and quantify their phase ratio are developed and discussed. Thorough analysis on the formation of the cubic and wurtzite phases is presented and their evolution with film thickness is discussed in detail. The freecharge carrier and phonon properties of the two phases are discussed together with the determination of electron accumulation at the zinc-blende InN (001) and wurtzite (10̅11) surfaces.
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14.
  • Zhang, Xiaofu, et al. (author)
  • Suppression of the transition to superconductivity in crystal/glass high-entropy alloy nanocomposites
  • 2022
  • In: Communications Physics. - : NATURE PORTFOLIO. - 2399-3650. ; 5:1
  • Journal article (peer-reviewed)abstract
    • High entropy alloys are multielement materials exhibiting enhanced properties compared to their binary or ternary equivalents. Here, the authors investigate the influence of microstructure and elemental distribution on the transport and superconducting properties of (TaNb)(1-x)(ZrHfTi)(x) thin films. Superconducting high entropy alloys (HEAs) may combine extraordinary mechanical properties with robust superconductivity. They are suitable model systems for the investigation of the interplay of disorder and superconductivity. Here, we report on the superconductivity in (TaNb)(1-x)(ZrHfTi)(x) thin films. Beyond the near-equimolar region, the films comprise hundreds-of-nanometer-sized crystalline grains and show robust bulk superconductivity. However, the superconducting transitions in these nanocomposites are dramatically suppressed in the near-equimolar configurations, i.e., 0.45 < x < 0.64, where elemental distributions are equivalently homogeneous. Crystal/glass high entropy alloy nanocomposite phase separation was observed for the films in the near-equimolar region, which yields a broadened two-step normal to superconducting transition. Furthermore, the diamagnetic shielding in these films is only observed far below the onset temperature of superconductivity. As these unusual superconducting transitions are observed only in the samples with the high mixing entropy, this compositional range influences the collective electronic properties in these materials.
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15.
  • Alnoor, Hatim, et al. (author)
  • Exploring MXenes and their MAX phase precursors by electron microscopy
  • 2021
  • In: Materials Today Advances. - : Elsevier. - 2590-0498. ; 9
  • Journal article (peer-reviewed)abstract
    • This review celebrates the width and depth of electron microscopy methods and how these have enabled massive research efforts on MXenes. MXenes constitute a powerful recent addition to 2-dimensional materials, derived from their parent family of nanolaminated materials known as MAX phases. Owing to their rich chemistry, MXenes exhibit properties that have revolutionized ranges of applications, including energy storage, electromagnetic interference shielding, water filtering, sensors, and catalysis. Few other methods have been more essential in MXene research and development of corresponding applications, compared with electron microscopy, which enables structural and chemical identification at the atomic scale. In the following, the electron microscopy methods that have been applied to MXene and MAX phase precursor research are presented together with research examples and are discussed with respect to advantages and challenges.
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16.
  • Azina, Clio, et al. (author)
  • Deposition of MAX phase-containing thin films from a (Ti,Zr)(2)AlC compound target
  • 2021
  • In: Applied Surface Science. - : Elsevier. - 0169-4332 .- 1873-5584. ; 551
  • Journal article (peer-reviewed)abstract
    • This work reports on sputter depositions carried out from a compound (Ti,Zr)(2)AlC target on Al2O3(0 0 0 1) substrates at temperatures ranging between 500 and 900 degrees C. Short deposition times yielded 30-40 nm-thick Al-containing (Ti,Zr)C films, whereas longer depositions yielded thicker films up to 90 nm which contained (Ti,Zr)C and intermetallics. At 900 degrees C, the longer depositions led to films that also consisted of solid solution MAX phases. Detailed transmission electron microscopy showed that both (Ti,Zr)(2)AlC and (Ti,Zr)(3)AlC2 solid solution MAX phases were formed. Moreover, this work discusses the growth mechanism of the thicker films, which started with the formation of the mixed (Ti,Zr)C carbide, followed by the nucleation and growth of aluminides, eventually leading to solid state diffusion of Al within the carbide, at the highest temperature (900 degrees C) to form the MAX phases.
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17.
  • Badr, Hussein O., et al. (author)
  • Bottom-up, scalable synthesis of anatase nanofilament-based two-dimensional titanium carbo-oxide flakes
  • 2022
  • In: Materials Today. - : ELSEVIER SCI LTD. - 1369-7021 .- 1873-4103. ; 54
  • Journal article (peer-reviewed)abstract
    • Two-dimensional (2D) materials offer advantages that their 3D counterparts do not. The conventional method for the bulk synthesis of 2D materials has predominantly been through etching layered solids. Herein, we convert - through a bottom-up approach - 10 binary and ternary titanium carbides, nitrides, borides, phosphides, and silicides into 2D flakes by immersing them in a tetramethylammonium hydroxide solution at temperatures in the 25-85 degrees C range. Based on X-ray diffraction, density functional theory, X-ray photoelectron, electron energy loss, Raman, X-ray absorption near edge structure spectroscopies, transmission and scanning electron microscope images and selected area diffraction, we conclude that the resulting flakes are carbon containing anatase-based layers that are, in turn, comprised of approximate to 6 x 10 angstrom(2) nanofilaments in cross-section some of which are few microns long. Electrodes made from some of these films performed well in lithium-ion and lithium-sulphur systems. These materials also reduce the viability of cancer cells thus showing potential in biomedical applications. Synthesizing 2D materials, at near ambient conditions, with non-layered, inexpensive, green precursors (e.g., TiC) is paradigm shifting and will undoubtedly open new and exciting avenues of research and applications.
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18.
  • Chen, Ding-Yuan, 1991, et al. (author)
  • Structural investigation of ultra-low resistance deeply recessed sidewall ohmic contacts for AlGaN/GaN HEMTs based on Ti/Al/Ti-metallization
  • 2023
  • In: Semiconductor Science and Technology. - : IOP Publishing Ltd. - 1361-6641 .- 0268-1242. ; 38:10
  • Journal article (peer-reviewed)abstract
    • This study presents a novel approach to forming low-resistance ohmic contacts for AlGaN/GaN HEMTs. The optimized contacts exhibit an outstanding contact resistance of approximately 0.15 & omega;& BULL;mm. This is achieved by firstly recessing the barrier of the heterostructure to a depth beyond the channel. In this way, the channel region is exposed on the sidewall of the recess. The coverage of the Ti/Al/Ti ohmic metalization on the sidewall is ensured through tilting of the sample during evaporation. The annealing process is performed at a low temperature of 550 & DEG;C. The approach does not require precise control of the recess etching. Furthermore, the method is directly applicable to most barrier designs in terms of thickness and Al-concentration. The impact of recessed sidewall angle, thickness and ratio of Ti and Al layers, and the annealing procedure are investigated. Structural and chemical analyses of the interface between the ohmic contacts and epi-structure indicate the formation of ohmic contacts by the extraction of nitrogen from the epi-structure. The approach is demonstrated on HEMT-structures with two different barrier designs in terms of Al-concentration and barrier thickness. The study demonstrate large process window in regard to recess depth and duration of the annealing as well as high uniformity of the contact resistance across the samples, rendering the approach highly suitable for industrial production processes.
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19.
  • Chen, Yen-Ting, et al. (author)
  • Nucleation of single GaN nanorods with diameters smaller than 35 nm by molecular beam epitaxy
  • 2013
  • In: Applied Physics Letters. - : American Institute of Physics (AIP). - 0003-6951 .- 1077-3118. ; 103:20, s. 203108-
  • Journal article (peer-reviewed)abstract
    • Nucleation mechanism of catalyst-free GaN nanorod grown on Si(111) is investigated by the fabrication of uniform and narrow (andlt; 35 nm) nanorods without a pre-defined mask by molecular beam epitaxy. Direct evidences show that the nucleation of GaN nanorods stems from the sidewall of the underlying islands down to the Si(111) substrate, different from commonly reported ones on top of the island directly. Accordingly, the growth and density control of the nanorods is exploited by a "narrow-pass" approach that only narrow nanorod can be grown. The optimal size of surrounding non-nucleation area around single nanorod is estimated as 88 nm.
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20.
  • Ding, Haoming, et al. (author)
  • Chemical scissor-mediated structural editing of layered transition metal carbides
  • 2023
  • In: Science. - : AMER ASSOC ADVANCEMENT SCIENCE. - 0036-8075 .- 1095-9203. ; 379:6637, s. 1130-1135
  • Journal article (peer-reviewed)abstract
    • Intercalated layered materials offer distinctive properties and serve as precursors for important two-dimensional (2D) materials. However, intercalation of non-van der Waals structures, which can expand the family of 2D materials, is difficult. We report a structural editing protocol for layered carbides (MAX phases) and their 2D derivatives (MXenes). Gap-opening and species-intercalating stages were respectively mediated by chemical scissors and intercalants, which created a large family of MAX phases with unconventional elements and structures, as well as MXenes with versatile terminals. The removal of terminals in MXenes with metal scissors and then the stitching of 2D carbide nanosheets with atom intercalation leads to the reconstruction of MAX phases and a family of metal-intercalated 2D carbides, both of which may drive advances in fields ranging from energy to printed electronics.
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21.
  • Ding Yuan, Chen, 1991, et al. (author)
  • Impact of in situ NH3 pre-treatment of LPCVD SiN passivation on GaN HEMT performance
  • 2022
  • In: Semiconductor Science and Technology. - : IOP Publishing. - 1361-6641 .- 0268-1242. ; 37:3
  • Journal article (peer-reviewed)abstract
    • The impact on the performance of GaN high electron mobility transistors (HEMTs) of in situ ammonia (NH3) pre-treatment prior to the deposition of silicon nitride (SiN) passivation with low-pressure chemical vapor deposition (LPCVD ) is investigated. Three different NH3 pre-treatment durations (0, 3, and 10 min) were compared in terms of interface properties and device performance. A reduction of oxygen (O) at the interface between SiN and epi-structure is detected by scanning transmission electron microscopy (STEM )-electron energy loss spectroscopy (EELS) measurements in the sample subjected to 10 min of pre-treatment. The samples subjected to NH3 pre-treatment show a reduced surface-related current dispersion of 9% (compared to 16% for the untreated sample), which is attributed to the reduction of O at the SiN/epi interface. Furthermore, NH3 pre-treatment for 10 min significantly improves the current dispersion uniformity from 14.5% to 1.9%. The reduced trapping effects result in a high output power of 3.4 W mm(-1) at 3 GHz (compared to 2.6 W mm(-1) for the untreated sample). These results demonstrate that the in situ NH3 pre-treatment before LPCVD of SiN passivation is critical and can effectively improves the large-signal microwave performance of GaN HEMTs.
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22.
  • Eklund, Per, et al. (author)
  • Layered ternary M(n+1)AX(n) phases and their 2D derivative MXene: an overview from a thin-film perspective
  • 2017
  • In: Journal of Physics D. - : IOP PUBLISHING LTD. - 0022-3727 .- 1361-6463. ; 50:11
  • Research review (peer-reviewed)abstract
    • Inherently and artificially layered materials are commonly investigated both for fundamental scientific purposes and for technological application. When a layered material is thinned or delaminated to its physical limits, a two-dimensional (2D) material is formed and exhibits novel properties compared to its bulk parent phase. The complex layered phases known as MAX phases (where M = early transition metal, A = A-group element, e.g. Al or Si, and X = C or N) are an exciting model system for materials design and the understanding of process-structure-property relationships. When the A layers are selectively etched from the MAX phases, a new type of 2D material is formed, named MXene to emphasize the relation to the MAX phases and the parallel with graphene. Since their discovery in 2011, MXenes have rapidly become established as a novel class of 2D materials with remarkable possibilities for composition variations and property tuning. This article gives a brief overview of MAX phases and MXene from a thin-film perspective, reviewing theory, characterization by electron microscopy, properties and how these are affected by the change in dimensionality, and outstanding challenges.
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23.
  • Ekström, Erik, et al. (author)
  • Microstructure control and property switching in stress-free van der Waals epitaxial VO2 films on mica
  • 2023
  • In: Materials & design. - : ELSEVIER SCI LTD. - 0264-1275 .- 1873-4197. ; 229
  • Journal article (peer-reviewed)abstract
    • Realizing stress-free inorganic epitaxial films on weakly bonding substrates is of importance for applications that require film transfer onto surfaces that do not seed epitaxy. Film-substrate bonding is usually weakened by harnessing natural van der Waals layers (e.g., graphene) on substrate surfaces, but this is difficult to achieve in non-layered materials. Here, we demonstrate van der Waals epitaxy of stress-free films of a non-layered material VO2 on mica. The films exhibit out-of-plane 010 texture with three inplane orientations inherited from the crystallographic domains of the substrate. The lattice parameters are invariant with film thickness, indicating weak film-substrate bonding and complete interfacial stress relaxation. The out-of-plane domain size scales monotonically with film thickness, but the in-plane domain size exhibits a minimum, indicating that the nucleation of large in-plane domains supports subsequent island growth. Complementary ab initio investigations suggest that VO2 nucleation and van der Waals epitaxy involves subtle polarization effects around, and the active participation of, surface potassium atoms on the mica surface. The VO2 films show a narrow domain-size-sensitive electrical-conductiv ity-temperature hysteresis. These results offer promise for tuning the properties of stress-free van der Waals epitaxial films of non-layered materials such as VO2 through microstructure control (C) 2023 The Author(s). Published by Elsevier Ltd. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).
  •  
24.
  • Gangaprasad Rao, Smita, et al. (author)
  • Phase formation in CrFeCoNi nitride thin films
  • 2023
  • In: Physical Review Materials. - : AMER PHYSICAL SOC. - 2475-9953. ; 7:4
  • Journal article (peer-reviewed)abstract
    • As a single-phase alloy, CrFeCoNi is a face centered cubic (fcc) material related to the archetypical highentropy Cantor alloy CrFeCoNiMn. For thin films, CrFeCoNi of approximately equimolar composition tends to assume an fcc structure when grown at room temperature by magnetron sputtering. However, the single-phase solid solution state is typically not achieved for thin films grown at higher temperatures. The same holds true for Cantor alloy-based ceramics (nitrides and oxides), where phase formation is extremely sensitive to process parameters such as the amount of reactive gas. This study combines theoretical and experimental methods to understand the phase formation in nitrogen-containing CrFeCoNi thin films. Density functional theory calculations considering three competing phases (CrN, Fe-Ni and Co) show that the free energy of mixing, Delta G of (CrFeCoNi)(1-x)N-x solid solutions has a maximum at x = 0.20-0.25, and AG becomes lower when x < 0.20 and x > 0.25. Thin films of (CrFeCoNi)1-xNx (0.14 >= x <= 0.41) grown by magnetron sputtering show stabilization of the metallic fcc when x <= 0.22 and the stabilization of the NaCl B1 structure when x > 0.33, consistent with the theoretical prediction. In contrast, films with intermediate amounts of nitrogen (x = 0.22) grown at higher temperatures show segregation into multiple phases of CrN, Fe-Ni-rich and Co. These results offer an explanation for the requirement of kinetically limited growth conditions at low temperature for obtaining single-phase CrFeCoNi Cantor-like nitrogen-containing thin films and are of importance for understanding the phase-formation mechanisms in multicomponent ceramics. The results from the study further aid in making correlations between the observed mechanical properties and the crystal structure of the films.
  •  
25.
  • Gustafsson, Anders, et al. (author)
  • Cathodoluminescence investigations of dark-line defects in platelet-based InGaN nano-LED structures
  • 2024
  • In: Nanotechnology. - : IOP Publishing Ltd. - 0957-4484 .- 1361-6528. ; 35:25
  • Journal article (peer-reviewed)abstract
    • We have investigated the optical properties of heterostructured InGaN platelets aiming at red emission, intended for use as nano-scaled light-emitting diodes. The focus is on the presence of non-radiative emission in the form of dark line defects. We have performed the study using hyperspectral cathodoluminescence imaging. The platelets were grown on a template consisting of InGaN pyramids, flattened by chemical mechanical polishing. These templates are defect free, whereas the dark line defects are introduced in the lower barrier and tend to propagate through all the subsequent layers, as revealed by the imaging of different layers in the structure. We conclude that the dark line defects are caused by stacking mismatch boundaries introduced by multiple seeding and step bunching at the edges of the as-polished, dome shaped templates. To avoid these defects, we suggest that the starting material must be flat rather than dome shaped.
  •  
26.
  • Hsiao, Ching-Lien, et al. (author)
  • Nucleation and core-shell formation mechanism of self-induced InxAl1−xN core-shell nanorods grown on sapphire substrates by magnetron sputter epitaxy
  • 2016
  • In: Vacuum. - : Pergamon Press. - 0042-207X .- 1879-2715. ; 131, s. 39-43
  • Journal article (peer-reviewed)abstract
    • Nucleation of self-induced nanorod and core-shell structure formation by surface-induced phase separation have been studied at the initial growth stage. The growth of well-separated core shell nanorods is only found in a transition temperature region (600 degrees C amp;lt;= T amp;lt;= 800 degrees C) in contrast to the result of thin film growth outside this region (T amp;lt; 600 degrees C or T amp;gt; 800 degrees C). Formation of multiple compositional domains, due to phase separation, after similar to 20 nm InxAl1-xN epilayer growth from sapphire substrate promotes the core-shell nanorod growth, showing a modified Stranski-Krastanov growth mode. The use of VN seed layer makes the initial growth of the nanorods directly at the substrate interface, revealing a Volmer-Weber growth mode. Different compositional domains are found on VN template surface to support that the phase separation takes place at the initial nucleation process and forms by a self-patterning effect. The nanorods were grown from In-rich domains and initiated the formation of core-shell nanorods due to spinodal decomposition of the InxAl1-xN alloy with a composition in the miscibility gap.
  •  
27.
  • Ingason, Arni Sigurdur, et al. (author)
  • Magnetic Self-Organized Atomic Laminate from First Principles and Thin Film Synthesis
  • 2013
  • In: Physical Review Letters. - : American Physical Society. - 0031-9007 .- 1079-7114. ; 110
  • Journal article (peer-reviewed)abstract
    • he first experimental realization of a magnetic Mn+1AXn (MAX) phase, (Cr0.75Mn0.25)2GeC, is presented, synthesized as a heteroepitaxial single crystal thin film, exhibiting excellent structural quality. This self-organized atomic laminate is based on the well-known Cr2GeC, with Mn, a new element in MAX phase research, substituting Cr. The compound was predicted using first-principles calculations, from which a variety of magnetic behavior is envisaged, depending on the Mn concentration and Cr/Mn atomic configuration within the sublattice. The analyzed thin films display a magnetic signal at room temperature.
  •  
28.
  • Khromov, Sergey, et al. (author)
  • Correlation between switching to n-type conductivity and structural defects in highly Mg-doped InN
  • 2015
  • In: Applied Physics Letters. - : American Institute of Physics (AIP). - 0003-6951 .- 1077-3118. ; 106:23
  • Journal article (peer-reviewed)abstract
    • The effect of Mg doping on the microstructure of InN epitaxial films in relation to their free-charge carrier properties has been investigated by transmission electron microscopy (TEM) and aberration corrected scanning TEM. We observe a direct correlation between Mg concentration and the formation of stacking faults. The threading dislocation density is found to be independent of Mg concentration. The critical Mg concentration for the on-set of stacking faults formation is determined and found to correlate with the switch from p- to n-type conductivity in InN. Potential mechanisms involving stacking faults and point defect complexes are invoked in order to explain the observed conductivity reversal. Finally, the stacking faults are structurally determined and their role in the reduction of the free electron mobility in highly doped InN: Mg is discussed. (C) 2015 AIP Publishing LLC.
  •  
29.
  • Lai, Chung-Chuan, et al. (author)
  • Phase formation of nanolaminated Mo2AuC and Mo-2(Au1-xGax)(2)C by a substitutional reaction within Au-capped Mo2GaC and Mo2Ga2C thin films
  • 2017
  • In: Nanoscale. - : ROYAL SOC CHEMISTRY. - 2040-3364 .- 2040-3372. ; 9:45, s. 17681-17687
  • Journal article (peer-reviewed)abstract
    • Au-containing nanolaminated carbides Mo2AuC and Mo-2(Au1-xGax)(2)C were synthesized by a thermally induced substitutional reaction in Mo2GaC and Mo2Ga2C, respectively. The Au substitution of the Ga layers in the structures was observed using cross-sectional high-resolution scanning transmission electron microscopy. Expansion of c lattice parameters was also observed in the Au-containing phases compared to the original phases. Energy dispersive spectroscopy detected residual Ga in Au-substituted layers of both phases with a peculiar Ga in-plane ordering for Au : Ga = 9 : 1 ratio along the Au-Ga layers in Mo-2(Au1-xGax)(2)C. These results indicate a generalization of the Au substitution reaction for the A elements in MAX phases.
  •  
30.
  •  
31.
  • Li, Mian, et al. (author)
  • Element Replacement Approach by Reaction with Lewis Acidic Molten Salts to Synthesize Nanolaminated MAX Phases and MXenes
  • 2019
  • In: Journal of the American Chemical Society. - : AMER CHEMICAL SOC. - 0002-7863 .- 1520-5126. ; 141:11, s. 4730-4737
  • Journal article (peer-reviewed)abstract
    • Nanolaminated materials are important because of their exceptional properties and wide range of applications. Here, we demonstrate a general approach to synthesizing a series of Zn-based MAX phases and Cl-terminated MXenes originating from the replacement reaction between the MAX phase and the late transition-metal halides. The approach is a top-down route that enables the late transitional element atom (Zn in the present case) to occupy the A site in the pre-existing MAX phase structure. Using this replacement reaction between the Zn element from molten ZnCl2 and the Al element in MAX phase precursors (Ti3AlC2, Ti2AlC, Ti2AlN, and V2AlC), novel MAX phases Ti3ZnC2, Ti2ZnC, Ti2ZnN, and V2ZnC were synthesized. When employing excess ZnCl2, Cl-terminated MXenes (such as Ti3C2Cl2 and Ti2CCl2) were derived by a subsequent exfoliation of Ti3ZnC2 and Ti2ZnC due to the strong Lewis acidity of molten ZnCl2. These results indicate that A-site element replacement in traditional MAX phases by late transition-metal halides opens the door to explore MAX phases that are not thermodynamically stable at high temperature and would be difficult to synthesize through the commonly employed powder metallurgy approach. In addition, this is the first time that exclusively Cl-terminated MXenes were obtained, and the etching effect of Lewis acid in molten salts provides a green and viable route to preparing MXenes through an HF-free chemical approach.
  •  
32.
  • Li, Mian, et al. (author)
  • Halogenated Ti3C2 MXenes with Electrochemically Active Terminals for High-Performance Zinc Ion Batteries
  • 2021
  • In: ACS Nano. - : AMER CHEMICAL SOC. - 1936-0851 .- 1936-086X. ; 15:1, s. 1077-1085
  • Journal article (peer-reviewed)abstract
    • The class of two-dimensional metal carbides and nitrides known as MXenes offer a distinct manner of property tailoring for a wide range of applications. The ability to tune the surface chemistry for expanding the property space of MXenes is thus an important topic, although experimental exploration of surface terminals remains a challenge. Here, we synthesized Ti3C2 MXene with unitary, binary, and ternary halogen terminals, e.g., -Cl, -Br, -I, -BrI, and -ClBrI, to investigate the effect of surface chemistry on the properties of MXenes. The electrochemical activity of Br and I elements results in the extraordinary electrochemical performance of the MXenes as cathodes for aqueous zinc ion batteries. The -Br- and -I-containing MXenes, e.g., Ti3C2Br2 and Ti3C2I2, exhibit distinct discharge platforms with considerable capacities of 97.6 and 135 mA.g(-1). Ti3C2 (BrI) and Ti3C2 (ClBrI) exhibit dual discharge platforms with capacities of 117.2 and 106.7 mAh.g(-1). In contrast, the previously discovered MXenes Ti3C2Cl2 and Ti3C2 (OF) exhibit no discharge platforms and only similar to 50% of capacities and energy densities of Ti3C2Br2. These results emphasize the effectiveness of the Lewis-acidic-melt etching route for tuning the surface chemistry of MXenes and also show promise for expanding the MXene family toward various applications.
  •  
33.
  • Li, Youbing, et al. (author)
  • A general Lewis acidic etching route for preparing MXenes with enhanced electrochemical performance in non-aqueous electrolyte
  • 2020
  • In: Nature Materials. - : NATURE PUBLISHING GROUP. - 1476-1122 .- 1476-4660. ; 19:8, s. 894-899
  • Journal article (peer-reviewed)abstract
    • Two-dimensional transition metal carbides and nitrides, known as MXenes, are currently considered as energy storage materials. A generic Lewis acidic etching route for preparing high-rate negative-electrode MXenes with enhanced electrochemical performance in non-aqueous electrolyte is now proposed. Two-dimensional carbides and nitrides of transition metals, known as MXenes, are a fast-growing family of materials that have attracted attention as energy storage materials. MXenes are mainly prepared from Al-containing MAX phases (where A = Al) by Al dissolution in F-containing solution; most other MAX phases have not been explored. Here a redox-controlled A-site etching of MAX phases in Lewis acidic melts is proposed and validated by the synthesis of various MXenes from unconventional MAX-phase precursors with A elements Si, Zn and Ga. A negative electrode of Ti3C2 MXene material obtained through this molten salt synthesis method delivers a Li+ storage capacity of up to 738 C g(-1) (205 mAh g(-1)) with high charge-discharge rate and a pseudocapacitive-like electrochemical signature in 1 M LiPF6 carbonate-based electrolyte. MXenes prepared via this molten salt synthesis route may prove suitable for use as high-rate negative-electrode materials for electrochemical energy storage applications.
  •  
34.
  • Li, Youbing, et al. (author)
  • Electrochemical Lithium Storage Performance of Molten Salt Derived V2SnC MAX Phase
  • 2021
  • In: Nano-Micro Letters. - : Springer. - 2311-6706 .- 2150-5551. ; 13:1
  • Journal article (peer-reviewed)abstract
    • MAX phases are gaining attention as precursors of two-dimensional MXenes that are intensively pursued in applications for electrochemical energy storage. Here, we report the preparation of V2SnC MAX phase by the molten salt method. V2SnC is investigated as a lithium storage anode, showing a high gravimetric capacity of 490 mAh g(-1) and volumetric capacity of 570 mAh cm(-3) as well as superior rate performance of 95 mAh g(-1) (110 mAh cm(-3)) at 50 C, surpassing the ever-reported performance of MAX phase anodes. Supported by operando X-ray diffraction and density functional theory, a charge storage mechanism with dual redox reaction is proposed with a Sn-Li (de)alloying reaction that occurs at the edge sites of V2SnC particles where Sn atoms are exposed to the electrolyte followed by a redox reaction that occurs at V2C layers with Li. This study offers promise of using MAX phases with M-site and A-site elements that are redox active as high-rate lithium storage materials.
  •  
35.
  • Li, Youbing, et al. (author)
  • Multielemental single atom-thick A layers in nanolaminated V2(Sn, A) C (A = Fe, Co, Ni, Mn) for tailoring magnetic properties
  • 2020
  • In: Proceedings of the National Academy of Sciences of the United States of America. - : NATL ACAD SCIENCES. - 0027-8424 .- 1091-6490. ; 117:2, s. 820-825
  • Journal article (peer-reviewed)abstract
    • Tailoring of individual single-atom-thick layers in nanolaminated materials offers atomic-level control over material properties. Nonetheless, multielement alloying in individual atomic layers in nanolaminates is largely unexplored. Here, we report 15 inherently nanolaminated V-2(A(x)Sn(1-x))C (A = Fe, Co, Ni, Mn, and combinations thereof, with x similar to 1/3) MAX phases synthesized by an alloy-guided reaction. The simultaneous occupancy of the 4 magnetic elements and Sn in the individual single-atom-thick A layers constitutes high-entropy MAX phase in which multielemental alloying exclusively occurs in the 2 -dimensional (2D) A layers. V-2(A(x)Sn(1-x))C exhibit distinct ferromagnetic behavior that can be compositionally tailored from the multielement A-layer alloying. Density functional theory and phase diagram calculations are performed to understand the structure stability of these MAX phases. This 2D multielemental alloying approach provides a structural design route to discover nanolaminated materials and expand their chemical and physical properties. In fact, the magnetic behavior of these multielemental MAX phases shows strong dependency on the combination of various elements.
  •  
36.
  • Li, Youbing, et al. (author)
  • Near-room temperature ferromagnetic behavior of single-atom-thick 2D iron in nanolaminated ternary MAX phases
  • 2021
  • In: Applied Physics Reviews. - : AIP Publishing. - 1931-9401. ; 8:3
  • Journal article (peer-reviewed)abstract
    • M(n+)(1)AX(n) (MAX) phases nanolaminated ternary carbides or nitrides possess a unique crystal structure in which single-atom-thick "A" sublayers are interleaved by alternative stacking of a "Mn+1Xn" sublayer; these materials have been investigated as promising high-safety structural materials for industrial applications because of their laminated structure and metal and ceramic properties. However, limited of A-site elements in the definition of M(n+)(1)AX(n) phases, it is a huge challenge for designing nanolaminated ferromagnetic materials with single-atom-thick two-dimensional iron layers occupying the A layers in the M(n+)(1)AX(n) phases. Here, we report three new ternary magnetic M(n+)(1)AX(n) phases (Ta2FeC, Ti2FeN, and Nb2FeC) with A sublayers of single-atom-thick two-dimensional iron through an isomorphous replacement reaction of M(n+)(1)AX(n) precursors (Ta2AlC, Ti2AlN, and Nb2AlC) with a Lewis acid salts (FeCl2). All these M(n+)(1)AX(n) phases exhibit ferromagnetic behavior. The Curie temperatures of the Ta2FeC and Nb2FeC M(n+)(1)AX(n) phases are 281 and 291K, respectively, i.e., close to room temperature. The saturation magnetization of these ternary magnetic MAX phases is almost two orders of magnitude higher than V-2(Sn,Fe)C, whose A-site is partially substituted by Fe. Theoretical calculations on magnetic orderings of spin moments of Fe atoms in these nanolaminated magnetic M(n+)(1)AX(n) phases reveal that the magnetism can be mainly ascribed to an intralayer exchange interaction of the two-dimensional Fe atomic layers. Owing to the richness in composition of M(n+)(1)AX(n) phases, our work provides a large imaginary space for constructing functional single-atom-thick two-dimensional layers in materials using these nanolaminated templates.
  •  
37.
  • Li, Youbing, et al. (author)
  • Single-Atom-Thick Active Layers Realized in Nanolaminated Ti-3(AlxCu1-x)C-2 and Its Artificial Enzyme Behavior
  • 2019
  • In: ACS Nano. - : AMER CHEMICAL SOC. - 1936-0851 .- 1936-086X. ; 13:8, s. 9198-9205
  • Journal article (peer-reviewed)abstract
    • A Ti-3(AlxCu1-x)C-2 phase with Cu atoms with a degree of ordering in the A plane is synthesized through the A site replacement reaction in CuCl2 molten salt. The weakly bonded single -atom -thick Cu layers in a Ti-3(AlxCu1-x)C-2 MAX phase provide actives sites for catalysis chemistry. As -synthesized Ti-3(AlxCu1-x)C-2 presents unusual peroxidase-like catalytic activity similar to that of natural enzymes. A fabricated Ti-3(AlxCu1-x)C-2/chitosan/glassy carbon electrode biosensor prototype also exhibits a low detection limit in the electrochemical sensing of H2O2. These results have broad implications for property tailoring in a nanolaminated MAX phase by replacing the A site with late transition elements.
  •  
38.
  • Ma, Hairui, et al. (author)
  • Effect of modulation period and thickness ratio on the growth and mechanical properties of heteroepitaxial c-Ti0.4Al0.6N/h-Cr2N multilayer films
  • 2023
  • In: Surface & Coatings Technology. - : ELSEVIER SCIENCE SA. - 0257-8972 .- 1879-3347. ; 472
  • Journal article (peer-reviewed)abstract
    • c-TiAlN/h-Cr2N multilayer thin films, with modulation period lambda of 10 nm, 20 nm, and 30 nm and different Cr2N/lambda thickness ratios (25 %, 50 % and 75 %), were deposited on c-plane sapphire using reactive DC magnetron sputtering. All multilayers exhibited preferred orientation [Cr2N(0001)/ TiAlN(111)](x), regardless of the modulation period and thickness ratios. X-ray diffraction f-scans revealed an influence of the Cr2N layer thickness on the overall orientation quality of the multilayer, where the thicker the Cr2N layer the higher orientation quality. Atomically resolved high-angle annular dark-field scanning transmission electron microscopy revealed well defined and homogeneous atom stacking in the Cr2N layers. In contrast, the cubic TiAlN layer was found to be composed of coherent cubic AlN-rich and TiN-rich regions. Additionally, the TiAlN layers were found with a higher density of grain boundaries compared to the Cr2N layers. Mechanical properties evaluation revealed that the film with a 20 nm period and 75 % Cr2N thickness ratio exhibited the highest hardness of 27.11 +/- 0.72 GPa and an reduced elastic modulus of 349.1 +/- 6.84 GPa. The hardness increased as the thickness of Cr2N increased, until reaching 10 nm, after which it remained at a high level (similar to 25 GPa).
  •  
39.
  • Magnus, Fridrik, et al. (author)
  • Sequential magnetic switching in Fe/MgO(001) superlattices
  • 2018
  • In: Physical Review B. Condensed Matter and Materials Physics. - : American Physical Society. - 1098-0121 .- 1550-235X. ; 97:17
  • Journal article (peer-reviewed)abstract
    • Polarized neutron reflectometry is used to determine the sequence of magnetic switching in interlayer exchangecoupled Fe/MgO(001) superlattices in an applied magnetic field. For 19.6 Å thick MgO layers we obtain a 90◦periodic magnetic alignment between adjacent Fe layers at remanence. In an increasing applied field the toplayer switches first followed by its second-nearest neighbor. For 16.4 Å MgO layers, a 180◦periodic alignment isobtained at remanence and with increasing applied field the layer switching starts from the two outermost layersand proceeds inwards. This sequential tuneable switching opens up the possibility of designing three-dimensionalmagnetic structures with a predefined discrete switching sequence
  •  
40.
  • Mayrhofer, P. M., et al. (author)
  • Properties of ScxAl1-xN (x=0.27) thin films on sapphire and silicon substrates upon high temperature loading
  • 2016
  • In: Microsystem Technologies. - : SPRINGER. - 0946-7076 .- 1432-1858. ; 22:7, s. 1679-1689
  • Journal article (peer-reviewed)abstract
    • Scandium Aluminum Nitride thin films (ScxAl1-xN) are attracting more and more attention for micro-electromechanical systems (MEMS) because of significantly increased piezoelectric constants compared to pure AlN. This work provides a comprehensive study of thermal annealing effects on ScxAl1-xN (x = 27 %) films synthesized via DC magnetron sputter deposition at nominally unheated Silicon and Sapphire substrates. Compared to the "as deposited" state increasing c-axis orientation and crystalline quality upon annealing up to 1000 A degrees C of films with mixed crystallographic orientation is observed via X-ray diffraction and transmission electron microscopy based analyses. Also the piezoelectric coefficient d (33) of ScxAl1-xN on Si shows increasing values at enhanced annealing temperatures. However, the improved piezoelectric properties are accompanied by both increased leakage currents and loss tangent values.
  •  
41.
  • Mian, Li, et al. (author)
  • Synthesis of Novel MAX Phase Ti3ZnC2 via A-site-element-substitution Approach
  • 2019
  • In: Journal of Inorganic Materials. - : SCIENCE PRESS. - 1000-324X. ; 34:1, s. 60-64
  • Journal article (peer-reviewed)abstract
    • Using Ti3AlC2 as the precursor, a new MAX phase Ti3ZnC2 was synthesized via an A-elemental substitution reaction in a molten salts bath. Composition and crystal structure of Ti3ZnC2 were confirmed by XRD, SEM and TEM analysis. Its structure stability and lattice parameter of Ti3ZnC2 were further proved by a theoretical calculation based on density function theory (DFT). Moreover, thermodynamics of A-elemental substitution reactions based on Fe, Co, Ni, and Cu were investigated. All results indicated that the similar substitution reactions are feasible to form series of MAX phases whose A sites are Fe, Co, Ni, and Cu elements. The substitution reaction was achieved by diffusion of Zn atoms into A-layers of Ti3AlC2, which requires Al-Zn eutectic formation at high temperatures. The molten salts provided a moderate environment for substitution reaction and accelerated reaction dynamics. The major advantage of this substitution reaction is that MAX phase keeps individual metal carbide layers intact, thus the formation of competitive phases, such as MA alloys, was avoided. The proposed A-elemental substitution reactions approach opens a new door to design and synthesize novel MAX phases which could not be synthesized by the traditional methods.
  •  
42.
  • Nedfors, Nils, et al. (author)
  • Superhard NbB2-x thin films deposited by dc magnetron sputtering
  • 2014
  • In: Surface & Coatings Technology. - : Elsevier BV. - 0257-8972 .- 1879-3347. ; 257, s. 295-300
  • Journal article (peer-reviewed)abstract
    • We have deposited weakly textured substoichiometric NbB2-x thin films by magnetron sputtering from a NbB2 target. The films exhibit superhardness (42 ± 4 GPa), previously only observed in overstoichiometric TiB2 thin films, and explained by a self-organized nanostructuring, where thin TiB2 columnar grains hinder nucleation and slip of dislocations and a B-rich tissue phase between the grains prevent grain-boundary sliding. The wide homogeneity range for the NbB2 phase allows a similar ultra-thin B-rich tissue phase to form between thin (5 – 10 nm) columnar NbB2-x grains also for films with a B/Nb atomic ratio of 1.8, as revealed here by analytical aberration-corrected scanning transmission electron microscopy. Furthermore, a coefficient of friction of 0.16 is measured for a NbB2-x film sliding against stainless steel with a wear rate of 4x10-7 mm3/Nm. X-ray photoelectron spectroscopy results suggest that the low friction is due to the formation of a lubricating boric acid film.
  •  
43.
  • Palisaitis, Justinas, et al. (author)
  • Where is the unpaired transition metal in substoichiometric diboride line compounds?
  • 2021
  • In: Acta Materialia. - : PERGAMON-ELSEVIER SCIENCE LTD. - 1359-6454 .- 1873-2453. ; 204
  • Journal article (peer-reviewed)abstract
    • The atomic structure and local composition of high quality epitaxial substoichiometric titanium diboride (TiB1.9) thin film, deposited by unbalanced magnetron sputtering, were studied using analytical high-resolution scanning transmission electron microscopy, density functional theory, and image simulations. The unpaired Ti is pinpointed to inclusion of Ti-based stacking faults within a few atomic layers, which terminates the {1 (1) over bar 00} prismatic planes of the crystal structure and attributed to the absence of B between Ti planes that locally relaxes the structure. This mechanism allows the line compound to accommodate off-stoichiometry and remain a line compound between defects. The planar defects are embedded in otherwise stoichiometric TiB2 and are delineated by insertion of dislocations. An accompanied decrease in Ti-Ti bond lengths along and across the faults is observed. (c) 2020ActaMaterialiaInc. PublishedbyElsevierLtd. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/)
  •  
44.
  • Persson, Axel, et al. (author)
  • Correlating cathodoluminescence and scanning transmission electron microscopy for InGaN platelet nano-LEDs
  • 2023
  • In: Applied Physics Letters. - : AIP Publishing. - 0003-6951 .- 1077-3118. ; 123:2
  • Journal article (peer-reviewed)abstract
    • Structural defects are detrimental to the efficiency and quality of optoelectronic semiconductor devices. In this work, we study InGaN platelets with a quantum well structure intended for nano-LEDs emitting red light and how their optical properties, measured with cathodoluminescence, relate to the corresponding atomic structure. Through a method of spectroscopy-thinning-imaging, we demonstrate in plan-view how stacking mismatch boundaries intersect the quantum well in a pattern correlated with the observed diminished cathodoluminescence intensity. The results highlight the importance of avoiding stacking mismatch in small LED structures due to the relatively large region of non-radiative recombination caused by the mismatch boundaries.
  •  
45.
  • Persson, Ingemar, et al. (author)
  • 2D Transition Metal Carbides (MXenes) for Carbon Capture
  • 2019
  • In: Advanced Materials. - : WILEY-V C H VERLAG GMBH. - 0935-9648 .- 1521-4095. ; 31:2
  • Journal article (peer-reviewed)abstract
    • Global warming caused by burning of fossil fuels is indisputably one of mankinds greatest challenges in the 21st century. To reduce the ever-increasing CO2 emissions released into the atmosphere, dry solid adsorbents with large surface-to-volume ratio such as carbonaceous materials, zeolites, and metal-organic frameworks have emerged as promising material candidates for capturing CO2. However, challenges remain because of limited CO2/N-2 selectivity and long-term stability. The effective adsorption of CO2 gas (approximate to 12 mol kg(-1)) on individual sheets of 2D transition metal carbides (referred to as MXenes) is reported here. It is shown that exposure to N-2 gas results in no adsorption, consistent with first-principles calculations. The adsorption efficiency combined with the CO2/N-2 selectivity, together with a chemical and thermal stability, identifies the archetype Ti3C2 MXene as a new material for carbon capture (CC) applications.
  •  
46.
  • Persson, Ingemar, et al. (author)
  • How Much Oxygen Can a MXene Surface Take Before It Breaks?
  • 2020
  • In: Advanced Functional Materials. - : WILEY-V C H VERLAG GMBH. - 1616-301X .- 1616-3028. ; 30:47
  • Journal article (peer-reviewed)abstract
    • Tuning and tailoring of surface terminating functional species hold the key to unlock unprecedented properties for a wide range of applications of the largest 2D family known as MXenes. However, a few routes for surface tailoring are explored and little is known about the extent to which the terminating species can saturate the MXene surfaces. Among available terminations, atomic oxygen is of interest for electrochemical energy storage, hydrogen evolution reaction, photocatalysis, etc. However, controlled oxidation of the surfaces is not trivial due to the favored formation of oxides. In the present contribution, single sheets of Ti3C2Tx MXene, inherently terminated by F and O, are defluorinated by heating in vacuum and subsequentially exposed to O-2 gas at temperatures up to 450 degrees C in situ, in an environmental transmission electron microscope. Results include exclusive termination by O on the MXene surfaces and eventual supersaturation (x amp;gt; 2) with a retained MXene sheet structure. Upon extended O exposure, the MXene structure transforms into TiO2 and desorbs surface bound H2O and CO2 reaction products. These results are fundamental for understanding the oxidation, the presence of water on MXene surfaces, and the degradation of MXenes, and pave way for further tailoring of MXene surfaces.
  •  
47.
  • Persson, Ingemar, et al. (author)
  • On the organization and thermal behavior of functional groups on Ti3C2 MXene surfaces in vacuum
  • 2018
  • In: Current Opinion in Chemical Engineering. - : Institute of Physics Publishing (IOPP). - 2211-3398. ; 5:1
  • Journal article (peer-reviewed)abstract
    • The two-dimensional (2D) MXene Ti(3)C(2)Tx is functionalized by surface groups (T-x) that determine its surface properties for, e.g. electrochemical applications. The coordination and thermal properties of these surface groups has, to date, not been investigated at the atomic level, despite strong variations in the MXene properties that are predicted from different coordinations and from the identity of the functional groups. To alleviate this deficiency, and to characterize the functionalized surfaces of single MXene sheets, the present investigation combines atomically resolved in situ heating in a scanning transmission electron microscope (STEM) and STEM simulations with temperature-programmed x-ray photoelectron spectroscopy (TP-XPS) in the room temperature to 750 degrees C range. Using these techniques, we follow the surface group coordination at the atomic level. It is concluded that the F and O atoms compete for the DFT-predicted thermodynamically preferred site and that at room temperature that site is mostly occupied by F. At higher temperatures, F desorbs and is replaced by O. Depending on the O/F ratio, the surface bare MXene is exposed as F desorbs, which enables a route for tailored surface functionalization.
  •  
48.
  • Persson, Ingemar, et al. (author)
  • Origin of layer decoupling in ordered multilayer graphene grown by high-temperature sublimation on C-face 4H-SiC
  • 2020
  • In: APL Materials. - : AMER INST PHYSICS. - 2166-532X. ; 8:1
  • Journal article (peer-reviewed)abstract
    • We study the origin of layer decoupling in ordered multilayer graphene grown by high temperature sublimation on C-face 4H-SiC. The mid-infrared optical Hall effect technique is used to determine the magnetic field dependence of the inter-Landau level transition energies and their optical polarization selection rules, which unambiguously show that the multilayer graphene consists of electronically decoupled layers. Transmission electron microscopy reveals no out-of-plane rotational disorder between layers in the stack, which is in contrast to what is typically observed for C-face graphene grown by low temperature sublimation. It is found that the multilayer graphene maintains AB-stacking order with increased interlayer spacing by 2.4%-8.4% as compared to highly oriented pyrolytic graphite. Electron energy loss spectroscopy mapping reveals Si atoms trapped in between layers, which are proposed to be the cause for the observed increased interlayer spacing leading to layer decoupling. Based on our results, we propose a defect-driven growth evolution mechanism for multilayer graphene on C-face SiC via high temperature sublimation.
  •  
49.
  • Persson, Ingemar, et al. (author)
  • Tailoring Structure, Composition, and Energy Storage Properties of MXenes from Selective Etching of In-Plane, Chemically Ordered MAX Phases
  • 2018
  • In: Small. - : WILEY-V C H VERLAG GMBH. - 1613-6810 .- 1613-6829. ; 14:17
  • Journal article (peer-reviewed)abstract
    • The exploration of 2D solids is one of our times generators of materials discoveries. A recent addition to the 2D world is MXenes that possses a rich chemistry due to the large parent family of MAX phases. Recently, a new type of atomic laminated phases (coined i-MAX) is reported, in which two different transition metal atoms are ordered in the basal planes. Herein, these i-MAX phases are used in a new route for tailoriong the MXene structure and composition. By employing different etching protocols to the parent i-MAX phase (Mo2/3Y1/3)(2)AlC, the resulting MXene can be either: i) (Mo2/3Y1/3)(2)C with in-plane elemental order through selective removal of Al atoms or ii) Mo1.33C with ordered vacancies through selective removal of both Al and Y atoms. When (Mo2/3Y1/3)(2)C (ideal stoichiometry) is used as an electrode in a supercapacitor-with KOH electrolytea volumetric capacitance exceeding 1500 F cm(-3) is obtained, which is 40% higher than that of its Mo1.33C counterpart. With H2SO4, the trend is reversed, with the latter exhibiting the higher capacitance (approximate to 1200 F cm(-3)). This additional ability for structural tailoring will indubitably prove to be a powerful tool in property-tailoring of 2D materials, as exemplified here for supercapacitors.
  •  
50.
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