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Magnuson, M., Eklund, P. & Polley, C. (2025). Fermiology and Band Structure of Oxygen-Terminated Ti3⁢C2⁢Tx MXene. Physical Review Letters, 134(10), Article ID 106201.
Open this publication in new window or tab >>Fermiology and Band Structure of Oxygen-Terminated Ti3⁢C2⁢Tx MXene
2025 (English)In: Physical Review Letters, ISSN 0031-9007, E-ISSN 1079-7114, Vol. 134, no 10, article id 106201Article in journal (Refereed) Published
Abstract [en]

The class of two-dimensional carbides and nitrides known as MXenes exhibit remarkable electronic properties. Tailoring these properties, however, requires an in-depth understanding of the band structure and Fermi-surface topology. Surface oxidation of MXenes has previously hampered the characterization of their Fermi surface, which is crucial for understanding the topology and anisotropy in the electronic structure and, ultimately, for tailoring electronic properties. Here, we reveal the Fermi surface topology and band structure of purely oxygen-terminated Ti3⁢C2⁢Tx MXene achieved through rigorous thin film sample preparation and ultrahigh vacuum annealing. Polarized synchrotron radiation-based angle-resolved photoemission spectroscopy reveals electron pockets, bulk band gaps, and a Dirac-like feature in the anisotropic electronic band structure. This paves the way for a fundamental understanding of band engineering of electronic transport properties, providing insights of importance for energy storage devices, transparent conductors, and catalysis.

Place, publisher, year, edition, pages
American Physical Society, 2025
Keywords
MXene, ARPES, density of states, lectronic structure of atoms & molecules, fermi surface, surface states
National Category
Condensed Matter Physics
Identifiers
urn:nbn:se:liu:diva-212234 (URN)10.1103/PhysRevLett.134.106201 (DOI)
Available from: 2025-03-13 Created: 2025-03-13 Last updated: 2025-03-13
Näslund, L.-Å., Kokkonen, E. & Magnuson, M. (2025). Interaction and kinetics of H2, CO2, and H2O on Ti3C2Tx MXene probed by X-ray photoelectron spectroscopy. Applied Surface Science, 684, Article ID 161926.
Open this publication in new window or tab >>Interaction and kinetics of H2, CO2, and H2O on Ti3C2Tx MXene probed by X-ray photoelectron spectroscopy
2025 (English)In: Applied Surface Science, ISSN 0169-4332, E-ISSN 1873-5584, Vol. 684, article id 161926Article in journal (Refereed) Published
Abstract [en]

One of the most explored MXenes is Ti3C2Tx, where Tx is designated to inherently form termination species. Among many applications, Ti3C2Tx is a promising material for energy storage, energy conversion, and CO2-capturing devices. However, active sites for adsorption and surface reactions on the Ti3C2Tx-surface are still open questions to explore, which have implications for preparation methods when to obtain correct and optimized surface requirements. Here we use X-ray photoelectron spectroscopy (XPS) to study the adsorption of common gas molecules such as H2, CO2, and H2O, which all may be present in energy storage, energy converting, and CO2-capturing devices based on Ti3C2Tx. The study shows that H2O, with a strong bonding to the Ti-Ti bridge-sites, can be considered as a termination species. An O and H2O terminated Ti3C2Tx-surface restricts the CO2 adsorption to the Ti on-top sites and may reduce the ability to store positive ions, such as Li+ and Na+. On the other hand, an O and H2O terminated Ti3C2Tx-surface shows the capability to split water. The results from this study have implications for the correct selection of MXene preparations and the environment around the MXene in different implementations, such as energy storage, CO2-capturing, energy conversion, gas sensing, and catalysts.

Place, publisher, year, edition, pages
Elsevier, 2025
National Category
Materials Chemistry
Identifiers
urn:nbn:se:liu:diva-210115 (URN)10.1016/j.apsusc.2024.161926 (DOI)001479781900001 ()2-s2.0-85210537908 (Scopus ID)
Note

Funding Agencies|Swedish Research council [2018-07152]; Swedish Governmental Agency for Innovation Systems [2018-04969]; Formas [2019-02496]; Swedish Government Strategic Research Area in Materials Science on Functional Materials at Linkoping University (Faculty Grant SFO-Mat-LiU) [2009 00971]; Swedish Energy Research [43606-1]; Carl Tryggers Foundation [CTS23:2746, CTS20:272, CTS16:303, CTS14:310]

Available from: 2024-12-02 Created: 2024-12-02 Last updated: 2025-06-19
Chowdhury, S., Guerra Yanez, H., Honnali, S. K., Greczynski, G., Persson, P. O., Le Febvrier, A., . . . Eklund, P. (2025). Structural and electronic properties of Sc1-xWxNy thin films on MgO(001). Applied Materials Today, 44, Article ID 102730.
Open this publication in new window or tab >>Structural and electronic properties of Sc1-xWxNy thin films on MgO(001)
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2025 (English)In: Applied Materials Today, ISSN 2352-9407, E-ISSN 2352-9415, Vol. 44, article id 102730Article in journal (Refereed) Published
Abstract [en]

The influence of heavy atom incorporation (in this case, tungsten, W) into scandium nitride is examined to assess its impact on the electronic structure and associated thermoelectric properties. Incorporating W, with its 5d valence electrons, is expected to shift the Fermi level into the conduction band. A solid solution of Sc1−x​Wx​Ny​ system is also expected to form as ScN exhibits the largest unit cell among the early 3d transition metal nitrides. However, phase separation is initiated at x = 0.10 and results in Sc- and W-rich regions occurring through conventional nucleation and growth. High-temperature nitrogen substoichiometry (at ∼800 °C) and formation of secondary phase is governed by inducing N vacancies in the crystal system. The N/W ratio alters the occupancy of the nonbonding t2g states in the valence band and results in phase instability. The Sc1−x​Wx​Ny​ system is found to be less covalent than a ScN reference sample indicating the presence of ionic and metallic bonds as observed through spectroscopic studies. A unique combination of a metal-like Seebeck coefficient with increased electrical resistivity is found for the Sc1−x​Wx​Ny​ system compared to the ScN reference. This study aims to elucidate the structural, microstructural, and electronic properties of the Sc1-xWxNy system and establishing a correlation with thermoelectric properties, through a combined experimental and theoretical approach.

Place, publisher, year, edition, pages
Elsevier, 2025
National Category
Condensed Matter Physics
Identifiers
urn:nbn:se:liu:diva-213228 (URN)10.1016/j.apmt.2025.102730 (DOI)001479741100001 ()2-s2.0-105003215262 (Scopus ID)
Note

Funding Agencies|Swedish Government Strategic Research Area in Materials Science on Functional Materials at Linkoping University; Knut and Alice Wallenberg foundation through the Wallenberg Academy Fellows program; Swedish Research Council (VR); Swedish Energy Agency; Carl Tryggers Foundation [CTS16:303, CTS14:310]; Aforsk Foundation; Olle Enqvist foundation; Swedish Research council [2022-06725]; Swedish Governmental Agency for Innovation Systems [2018-04969]; Swedish National Infrastructure in Advanced Electron Microscopy [2019-02496]; Formas; Primetzhofer from Uppsala University; Swedish Research Council VR-RFI [019-00191]; Swedish Foundation for Strategic Research [RIF14-0053]; Swedish Foundation for Strategic Research (SSF);  [2009 00971];  [KAW-2020.0196];  [2021-03826];  [43606-1];  [51201-1];  [CTS23:2746];  [CTS20:272];  [22-4];  [222-0053];  [2018-07152];  [2021-00171];  [RIF21-0026]

Available from: 2025-04-24 Created: 2025-04-24 Last updated: 2025-05-14
Shi, Y., Kashiwaya, S., Lu, J., Dahlqvist, M., Sangiovanni, D. G., Rogoz, V., . . . Hultman, L. (2025). Synthesis of Ti4Au3C3 and its derivative trilayer goldene through chemical exfoliation. Science Advances, 11(13)
Open this publication in new window or tab >>Synthesis of Ti4Au3C3 and its derivative trilayer goldene through chemical exfoliation
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2025 (English)In: Science Advances, E-ISSN 2375-2548, Vol. 11, no 13Article in journal (Refereed) Published
Abstract [en]

Achieving large two-dimensional (2D) sheets of any metal is challenging due to their tendency to coalescence or cluster into 3D shapes. Recently, single-atom-thick gold sheets, termed goldene, was reported. Here, we ask if goldene can be extended to include multiple layers. The answer is yes, and trilayer goldene is the magic number, for reasons of electronegativity. Experiments are made to synthesize the atomically laminated phase Ti4Au3C3 through substitutional intercalation of Si layers in Ti4SiC3 for Au. Density functional theory calculations suggest that it is energetically favorable to insert three layers of Au into Ti4SiC3, compared to inserting a monolayer, a bilayer, or more than three layers. Isolated trilayer goldene sheets, ~100 nanometers wide and 6.7 angstroms thick, were obtained by chemically etching the Ti4C3 layers from Ti4Au3C3 templates. Furthermore, trilayer goldene is found in both hcp and fcc forms, where the hcp is ~50 milli–electron volts per atom more stable at room temperature from ab initio molecular dynamic simulations.

Place, publisher, year, edition, pages
American Association for the Advancement of Science (AAAS), 2025
National Category
Condensed Matter Physics
Identifiers
urn:nbn:se:liu:diva-212681 (URN)10.1126/sciadv.adt7999 (DOI)001455518300003 ()40153494 (PubMedID)2-s2.0-105001593083 (Scopus ID)
Note

Funding Agencies|Swedish Research Council [2023- 04107, 2021- 04426, VR- 2018- 05973, 2022- 06725, 2021- 00171]; Swedish Government Strategic Research Area in Materials Science on Functional Materials at Linkoping University [SFO- Mat-LiU 2009 00971]; Aforsk Foundation [23- 591, 22- 4]; MIRAI2.0 Joint seed funding; Scandinavia- Japan Sasakawa Foundation; Wallenberg Launchpad (WALP); Olle Engkvist foundation [222- 0053]; Carl Tryggers Stiftelse [CTS 20:150]; Swedish Energy Agency [43606-1]; Carl Tryggers Foundation [CTS23:2746, CTS 20:272, CTS16:303, CTS14:310]; Goran Gustafsson Foundation for Research in Natural Sciences and Medicine; Wallenberg Scholar Grant [2019.0433]; Wallenberg Initiative Materials Science for Sustainability (WISE) - Knut and Alice Wallenberg Foundation

Available from: 2025-03-31 Created: 2025-03-31 Last updated: 2025-04-17
Nzulu, G. K., Högberg, H., Eklund, P., Hultman, L., Nude, P. M., Yaya, A. & Magnuson, M. (2024). Chemical Reactivity and Alteration of Pyrite Mineral in the Kubi Gold Concession in Ghana. Mining, Metallurgy & Exploration, 41, 1013-1023
Open this publication in new window or tab >>Chemical Reactivity and Alteration of Pyrite Mineral in the Kubi Gold Concession in Ghana
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2024 (English)In: Mining, Metallurgy & Exploration, ISSN 2524-3462, Vol. 41, p. 1013-1023Article in journal (Refereed) Published
Abstract [en]

Pyrite is the most common among the group of sulfide minerals in the Earth and abundant in most geological settings. This gangue mineral in association with garnet, hematite, magnetite, and other sulfide minerals acts as an indicator mineral in the Kubi concession of the Asante Gold corporation in Ghana. X-ray diffraction (XRD), air annealing in a furnace, energy-dispersive x-ray spectroscopy (EDX), and X-ray photoelectron spectroscopy (XPS) were applied to investigate the crystal structure, identify individual elements, permanence, transformation, and chemical/electronic properties of such pyrite. The study aims to identify individual elements and to gain an understanding of the surface reaction mechanisms, as well as the properties of precipitated pyrite particles observed during the hydrothermal formation of the ore deposit. XRD shows that pristine and annealed samples contain some hematite and quartz besides pyrite. Results from air annealing indicate that the relationship between pyrite and hematite-magnetite is controlled by temperature. EDX reveals that the sample has O and C as contaminants, while XPS in addition reveals Ba, Au, P, Al, and N. These elements are attributed to pyrite that bonds metallically or covalently to neighboring ligands/impurity minerals such as oxides, chalcogenide sulfides, as well as the gangue alteration minerals of magnetite and hematite in the pyrite sample.

These findings suggest that during the hydrothermal flow regime, pyrite, pathfinder elements, and impurity minerals/metals were in contact with quartz minerals before undergoing hematite transformation, which thus becomes an indicator mineral in the Kubi gold concession.

Place, publisher, year, edition, pages
Springer, 2024
Keywords
Pyrite, Hydrothermal, Minerals, Hematite, x-ray, diffraction, EDX, XPS
National Category
Metallurgy and Metallic Materials Geology
Identifiers
urn:nbn:se:liu:diva-201244 (URN)10.1007/s42461-024-00932-4 (DOI)001171788300001 ()2-s2.0-85186241132 (Scopus ID)
Funder
Swedish Foundation for Strategic Research, 2009 00971Swedish Energy Agency, 43606-1Carl Tryggers foundation , CTS20:272Carl Tryggers foundation , CTS16:303Carl Tryggers foundation , CTS14:310Linköpings universitet
Note

Funding Agencies|Linkoping University

Available from: 2024-02-28 Created: 2024-02-28 Last updated: 2025-03-04Bibliographically approved
Naumovska, E., Nzulu, G. K., Mazzei, L., Le Febvrier, A., Komander, K., Magnuson, M., . . . Karlsson, M. (2024). Local structure of hydrated nanocrystalline films of the proton conductor BaZr1-Sc O3-/2 studied by infrared spectroscopy. Vibrational Spectroscopy, 130, Article ID 103622.
Open this publication in new window or tab >>Local structure of hydrated nanocrystalline films of the proton conductor BaZr1-Sc O3-/2 studied by infrared spectroscopy
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2024 (English)In: Vibrational Spectroscopy, ISSN 0924-2031, E-ISSN 1873-3697, Vol. 130, article id 103622Article in journal (Refereed) Published
Abstract [en]

We report results from a study of the local structure of hydrated nanocrystalline 2 �m films of the well known proton conductor BaZr1-xScxO3-x/2 with x = 0.45, 0.54 and 0.64, using infrared (IR) spectroscopy. The films were prepared by magnetron sputtering. Analysis of the IR spectra focused on the O–H stretching region (2000—3700 cm-1), which reveals the presence of several distinct O–H stretching bands for which the intensity and frequency of each band vary in an unsystematic manner with Sc concentration. The spectra for the two higher Sc concentrations, x = 0.54 and 0.64, exhibit a distinct, highly intense O–H stretching band centered at around 3400–3500 cm-1, which is assigned to relatively symmetric, weakly hydrogen-bonding, proton configurations. The spectrum for the lower Sc concentration, x = 0.45, does not feature such a band but a broader, weaker, O–H stretching band between approximately 2500 and 3700 cm-1, suggesting that the protons are more homogeneously distributed over a range of different local proton coordinations in this relatively weakly doped material. A comparison to the IR spectra of powder samples of similar compositions suggests that for x = 0.45, the spectra and proton coordination of films and powder samples are similar, whereas for x = 0.54 and 0.64, a larger fraction of protons seems to be located in weakly hydrogen-bonding proton configurations in the films compared to the respective powder samples.

Place, publisher, year, edition, pages
Elsevier, 2024
Keywords
Proton conducting oxide; FilmsInfrared spectroscopy; Fuel cell; O-H stretch vibration
National Category
Atom and Molecular Physics and Optics
Identifiers
urn:nbn:se:liu:diva-199473 (URN)10.1016/j.vibspec.2023.103622 (DOI)001128254500001 ()
Note

Funding: Swedish Government Strategic Research Area in Materials Science on Functional Materials at Linkoping University (Faculty Grant SFO-Mat-LiU) [2009 00971]; Knut and Alice Wallenberg Foundation through the Wallenberg Academy Fellows program [2020.0196]; Swedish Energy Agency [43606-1, 48712-1]; Carl Trygger Foundation [CTS20:272, CTS16:303, CTS14:310]; VR-RFI [2017-00646-9, 2019-00191]; SSF [RIF14-0053]

Available from: 2023-12-04 Created: 2023-12-04 Last updated: 2024-01-17
Nzulu, G. K., Rogström, L., Lu, J., Högberg, H., Eklund, P., Hultman, L. & Magnuson, M. (2024). Physico-thermal and geochemical behavior and alteration of the Au indicator gangue hydrothermal quartz at the Kubi Gold ore deposits. Journal of African Earth Sciences, 220, Article ID 105439.
Open this publication in new window or tab >>Physico-thermal and geochemical behavior and alteration of the Au indicator gangue hydrothermal quartz at the Kubi Gold ore deposits
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2024 (English)In: Journal of African Earth Sciences, ISSN 1464-343X, E-ISSN 1879-1956, Vol. 220, article id 105439Article in journal (Refereed) Published
Abstract [en]

Altered and gangue quartz in hydrothermal veins from the Kubi Gold deposit in Dunkwa on Offin in the central region of Ghana are investigated for possible Au-associated indicator minerals and to provide the understanding and increase the knowledge of the mineral hosting and alteration processes in quartz. X-ray diffraction, air annealing furnace, differential scanning calorimetry, energy dispersive X-ray spectroscopy, and transmission electron microscopy have been applied on different quartz types outcropping from surface and bedrocks at the Kubi Gold Mining to reveal the material properties at different temperatures. From the diffraction results of the fresh and annealed quartz samples, we find that the samples contain indicator and the impurity minerals iron disulfide, biotite, titanium oxide, and magnetite. These minerals, under oxidation process between 574 and 1400 °C temperatures experienced hematite alterations and a transformation from α-quartz to β-quartz and further to cristobalite as observed from the calorimetry scans for hydrothermally exposed materials. The energy dispersive spectroscopy revealed elemental components of Fe, S, Mg, K, Al, Ti, Na, Si, O, and Ca contained in the samples, and these are attributed to the impurity phase minerals observed in the diffraction. The findings also suggest that during the hydrothermal flow regime, impurity minerals and metals can be trapped by voids and faults. Under favorable temperature conditions, the trapped minerals can be altered to change color at different depositional stages by oxidation and reduction processes leading to hematite alteration which is a useful indicator minerals in mineral exploration.

Place, publisher, year, edition, pages
Elsevier BV, 2024
Keywords
Quartz; Hydrothermal; Indicator minerals; Hematite; X-ray diffraction; Crystal structure; Defects
National Category
Geology
Identifiers
urn:nbn:se:liu:diva-208386 (URN)10.1016/j.jafrearsci.2024.105439 (DOI)001332967800001 ()
Funder
Carl Tryggers foundation Swedish Research CouncilSwedish Energy Agency
Note

Funding Agencies|Swedish Government Strategic Research Area in Ma-terials Science on Functional Materials at Linköping University [2009 00971]; Swedish Energy Research [43606-1]; Carl Tryggers Foundation [CTS23:2746, CTS20:272, CTS16:303, CTS14:310]

Available from: 2024-10-10 Created: 2024-10-10 Last updated: 2024-10-30
Ji, F., Klarbring, J., Zhang, B., Wang, F., Wang, L., Miao, X., . . . Gao, F. (2024). Remarkable Thermochromism in the Double Perovskite Cs2NaFeCl6. Advanced Optical Materials, 12(8), Article ID 2301102.
Open this publication in new window or tab >>Remarkable Thermochromism in the Double Perovskite Cs2NaFeCl6
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2024 (English)In: Advanced Optical Materials, ISSN 2162-7568, E-ISSN 2195-1071, Vol. 12, no 8, article id 2301102Article in journal (Refereed) Published
Abstract [en]

Lead-free halide double perovskites (HDPs) have emerged as a new generation of thermochromic materials. However, further materials development and mechanistic understanding are required. Here, a highly stable HDP Cs2NaFeCl6 single crystal is synthesized, and its remarkable and fully reversible thermochromism with a wide color variation from light-yellow to black over a temperature range of 10 to 423 K is investigated. First-principles, density functional theory (DFT)-based calculations indicate that the thermochromism in Cs2NaFeCl6 is an effect of electron–phonon coupling. The temperature sensitivity of the bandgap in Cs2NaFeCl6 is up to 2.52 meVK−1 based on the Varshni equation, which is significantly higher than that of lead halide perovskites and many conventional group-IV, III–V semiconductors. Meanwhile, this material shows excellent environmental, thermal, and thermochromic cycle stability. This work provides valuable insights into HDPs' thermochromism and sheds new light on developing efficient thermochromic materials.

Place, publisher, year, edition, pages
Wiley-Blackwell, 2024
National Category
Physical Chemistry
Identifiers
urn:nbn:se:liu:diva-197177 (URN)10.1002/adom.202301102 (DOI)001049682400001 ()2-s2.0-85168260340 (Scopus ID)
Funder
Knut and Alice Wallenberg Foundation, Dnr. KAW 2019.0082Swedish Energy Agency, 2018‐004357Swedish Research Council, 2021‐00357Swedish Research Council, 2019–05551Swedish Research Council, 2022–06725Swedish Research Council, 2018–05973
Note

Funding agencies: This work was financially supported by the Knut and Alice Wallenberg Foundation (Dnr. KAW 2019.0082), the Swedish Energy Agency (2018-004357), Carl Tryggers Stiftelse, Olle Engkvist Byggmästare Stiftelse, and the Swedish Government Strategic Research Area in Materials Science on Functional Materials at Linköping University (Faculty Grant SFO-Mat-LiU No. 2009-00971). I.A.A. is a Wallenberg Scholar. B.B. gratefully acknowledges financial support from the Swedish Research Council (VR) grant no. 2021-00357. F.J. was supported by the China Scholarship Council (CSC). W.N. acknowledges the Suzhou Key Laboratory of Functional Nano & Soft Materials, the Collaborative Innovation Center of Suzhou Nano Science & Technology (NANO−CIC), and the 111 Project for the financial support. S.I.S. acknowledges the support from the Swedish Research Council (VR) (Project No. 2019–05551) and the ERC (synergy grant FASTCORR project 854843). The computations were enabled by resources provided by the National Academic Infrastructure for Supercomputing in Sweden (NAISS), the Swedish National Infrastructure for Computing (SNIC) at the National Supercomputer Center (NSC), and the Center for High Performance Computing (PDC), partially funded by the Swedish Research Council through Grant Agreements No. 2022–06725 and No. 2018–05973. F.W. gratefully acknowledges financial support from the Open Project Funding of Jiangsu Key Laboratory for Carbon-based Functional Materials & Devices, Soochow University (KJS2152), and the Formas (2020-03001). M.M. acknowledges financial support from Swedish Energy Research (Grant no. 43606-1) and the Carl Tryggers Foundation (CTS20:272, CTS16:303, CTS14:310).

Available from: 2023-08-24 Created: 2023-08-24 Last updated: 2025-02-14Bibliographically approved
Shu, R., Zhang, X., Tasnadi, F., Olovsson, W., Gangaprasad Rao, S., Greczynski, G., . . . Eklund, P. (2024). Stoichiometry Effects on the Chemical Ordering and Superconducting Properties in TiZrTaNbNx Refractory High Entropy Nitrides. Annalen der Physik, 534(5), Article ID 2300470.
Open this publication in new window or tab >>Stoichiometry Effects on the Chemical Ordering and Superconducting Properties in TiZrTaNbNx Refractory High Entropy Nitrides
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2024 (English)In: Annalen der Physik, ISSN 0003-3804, E-ISSN 1521-3889, Vol. 534, no 5, article id 2300470Article in journal (Refereed) Published
Abstract [en]

High-entropy materials, an exciting new class of structural materials involvingfive or more elements, are emerging as unexplored ground forsuperconductors. Here, the effects of nitrogen stoichiometry are investigatedon local chemical structure of TiZrNbTa-based thin films by variousX-ray-based techniques. Lattice distortion and short-range order of a set ofTiZrNbTaNxsamples, including bond lengths of different atomic pairs andcoordination numbers of substituting atoms are quantitatively studied. Themaximum superconducting transition temperature Tcis found at 10 K for anear-stoichiometric (TiZrNbTa)N1.08film, which is>8 K measured for ametallic TiZrNbTa film. The underlying electronic structure and chemicalbonding in these high entropy nitrides thus influence the superconductingmacroscopic properties.

Place, publisher, year, edition, pages
Wiley-VCH Verlagsgesellschaft, 2024
National Category
Condensed Matter Physics
Identifiers
urn:nbn:se:liu:diva-199850 (URN)10.1002/andp.202300470 (DOI)001130119800001 ()
Note

Funding agencies: the Swedish Government Strategic Research Area in Materials Science on Functional Materials at Linköping University (Faculty Grant SFO-Mat-LiU No. 2009 00971), the VINNOVA Competence Centre FunMat-II (grant no. 2016–05156), the Knut and Alice Wallenberg foundation through the Wallenberg Academy Fellows program (KAW-2020.0196), and the Swedish Research Council under project number 2021–03826. Financial support for the operation of the accelerator laboratory in Uppsala by VR-RFI (Contract No. 2017-00646_9) and the Swedish Foundation for Strategic Research (SSF, Contract No. RIF14-0053), the Swedish Energy Research (Grant No.43606-1) and the CarlTryggers Foundation (CTS23:2746, CTS20:272, CTS16:303, CTS14:310).The authors acknowledge the MAX IV Laboratory for beamtime on the BALDER beamline for proposal 20200219. Research conducted at MAX IV, a Swedish national user facility, was supported by the Swedish Research council under contract 2018–07152, the Swedish Governmental Agency for Innovation Systems (VINNOVA) under contract 2018–04969, and Formas under contract 2019–02496. 

Available from: 2023-12-28 Created: 2023-12-28 Last updated: 2024-10-10Bibliographically approved
Kashiwaya, S., Shi, Y., Lu, J., Sangiovanni, D. G., Greczynski, G., Magnuson, M., . . . Hultman, L. (2024). Synthesis of goldene comprising single-atom layer gold. Nature Synthesis, 3(6), 744-751
Open this publication in new window or tab >>Synthesis of goldene comprising single-atom layer gold
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2024 (English)In: Nature Synthesis, E-ISSN 2731-0582, Vol. 3, no 6, p. 744-751Article in journal (Refereed) Published
Abstract [en]

The synthesis of monolayer gold has so far been limited to free-standingseveral-atoms-thick layers, or monolayers confned on or inside templates.Here we report the exfoliation of single-atom-thick gold achieved throughwet-chemically etching away Ti3C2 from nanolaminated Ti3AuC2, initiallyformed by substituting Si in Ti3SiC2 with Au. Ti3SiC2 is a renown MAX phase,where M is a transition metal, A is a group A element, and X is C or N. Ourdeveloped synthetic route is by a facile, scalable and hydrofuoric acid-freemethod. The two-dimensional layers are termed goldene. Goldene layerswith roughly 9% lattice contraction compared to bulk gold are observedby electron microscopy. While ab initio molecular dynamics simulationsshow that two-dimensional goldene is inherently stable, experiments showsome curling and agglomeration, which can be mitigated by surfactants.X-ray photoelectron spectroscopy reveals an Au 4f binding energy increaseof 0.88 eV. Prospects for preparing goldene from other non-van der WaalsAu-intercalated phases, including developing etching schemes,are presented.

Place, publisher, year, edition, pages
Nature Publishing Group, 2024
National Category
Condensed Matter Physics
Identifiers
urn:nbn:se:liu:diva-202582 (URN)10.1038/s44160-024-00518-4 (DOI)001203366300001 ()2-s2.0-85190684420 (Scopus ID)
Note

Funding agencies: the Swedish Research Council project grant nos. 2017-03909 (L.H.), 2023-04107 (L.H.) and 2021-04426 (D.G.S.), Swedish Government Strategic Research Area in Materials Science on Functional Materials at Linköping University grant no. SFO-Mat-LiU 2009 00971, Wallenberg Scholar Program grant no. KAW 2019.0290 (L.H.), the Swedish Research Council through grant agreement nos. VR-2018-05973 and 2022-06725, MIRAI2.0, Åforsk Foundation grant no. 22-4, the Olle Engkvist foundation grant no. 222-0053, Carl Tryggers Stiftelse contract no. CTS 20:150, Swedish Energy Agency (grant no. 43606-1), Carl Tryggers Foundation (grant nos. CTS23:2746, CTS 20:272, CTS16:303, CTS14:310)and Göran Gustafsson Foundation for Research in Natural Sciences and Medicines.

Available from: 2024-04-17 Created: 2024-04-17 Last updated: 2025-02-06Bibliographically approved
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ORCID iD: ORCID iD iconorcid.org/0000-0002-0317-0190

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