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  • 1.
    Li, Jiahui
    et al.
    Nanchang Univ, Peoples R China; Harbin Inst Technol, Peoples R China; Harbin Inst Technol, Peoples R China.
    El-Demellawi, Jehad
    Saudi Aramco, Saudi Arabia.
    Sheng, Guan
    Nanchang Univ, Peoples R China.
    Björk, Jonas
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Materialdesign. Linköpings universitet, Tekniska fakulteten.
    Zeng, Fanshuai
    Nanchang Univ, Peoples R China.
    Zhou, Jie
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Materialdesign. Linköpings universitet, Tekniska fakulteten.
    Liao, Xiaxia
    Nanchang Univ, Peoples R China.
    Wu, Junwei
    Harbin Inst Technol, Peoples R China; Harbin Inst Technol, Peoples R China.
    Rosén, Johanna
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Materialdesign. Linköpings universitet, Tekniska fakulteten.
    Liu, Xingjun
    Harbin Inst Technol, Peoples R China; Harbin Inst Technol, Peoples R China.
    Alshareef, Husam
    King Abdullah Univ Sci & Technol, Saudi Arabia.
    Tu, Shaobo
    Nanchang Univ, Peoples R China; King Abdullah Univ Sci & Technol, Saudi Arabia.
    Pseudocapacitive Heteroatom-Doped Carbon Cathode for Aluminum-Ion Batteries with Ultrahigh Reversible Stability2024Ingår i: Energy & Environmental Materials, E-ISSN 2575-0356, artikel-id e12733Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    Aluminum (Al)-ion batteries have emerged as a potential alternative to conventional ion batteries that rely on less abundant and costly materials like lithium. Nonetheless, given the nascent stage of advancement in Al-ion batteries (AIBs), attaining electrode materials that can leverage both intercalation capacity and structural stability remains challenging. Herein, we demonstrate a C3N4-derived layered N,S heteroatom-doped carbon, obtained at different pyrolysis temperatures, as a cathode material for AIBs, encompassing the diffusion-controlled intercalation and surface-induced capacity with ultrahigh reversibility. The developed layered N,S-doped corbon (N,S-C) cathode, synthesized at 900 degrees C, delivers a specific capacity of 330 mAh g(-1) with a relatively high coulombic efficiency of similar to 85% after 500 cycles under a current density of 0.5 A g(-1). Owing to its reinforced adsorption capability and enlarged interlayer spacing by doping N and S heteroatoms, the N,S-C900 cathode demonstrates outstanding energy storage capacity with excellent rate performance (61 mAh g(-1) at 20 A g(-1)) and ultrahigh reversibility (90 mAh g(-1) at 5 A g(-1) after 10 000 cycles).

  • 2.
    Malina, Tomas
    et al.
    Karolinska Inst, Sweden.
    Hamawandi, Bejan
    KTH Royal Inst Technol, Sweden.
    Toprak, Muhammet S.
    KTH Royal Inst Technol, Sweden.
    Chen, Lin
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Materialdesign. Linköpings universitet, Tekniska fakulteten.
    Björk, Jonas
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Materialdesign. Linköpings universitet, Tekniska fakulteten.
    Zhou, Jie
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Materialdesign. Linköpings universitet, Tekniska fakulteten.
    Rosén, Johanna
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Materialdesign. Linköpings universitet, Tekniska fakulteten.
    Fadeel, Bengt
    Karolinska Inst, Sweden.
    Tuning the transformation and cellular signaling of 2D titanium carbide MXenes using a natural antioxidant2024Ingår i: Matter, ISSN 2590-2393, E-ISSN 2590-2385, Vol. 7, nr 1Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    2D titanium carbide (Ti3C2) MXenes have emerged as promising candidates for biomedical applications. However, the biological properties of these materials are poorly understood. Moreover, MXenes are prone to oxidation under ambient conditions. Here, we show that glutathione (GSH), a natural antioxidant present in millimolar concentrations in the cytosol of most cells, protects MXenes from oxidation in aqueous suspensions while preserving the biocompatibility of the material. Reactive molecular dynamics (RMD) simulations confirm that GSH protects MXenes. Moreover, we provide evidence of the intracellular biotransformation of Ti3C2 MXenes to the rutile form of TiO2, and we show that GSH tunes the transformation process, resulting in the secretion of pro -inflammatory interleukin (IL) -1b through a non -canonical, elastase-dependent pathway. These results are important because they shed new light on the biotransformation of Ti3C2 MXenes and its ramifications for cellular signaling.

  • 3.
    Zhou, Jie
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Materialdesign. Linköpings universitet, Tekniska fakulteten.
    Dahlqvist, Martin
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Materialdesign. Linköpings universitet, Tekniska fakulteten.
    Björk, Jonas
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Materialdesign. Linköpings universitet, Tekniska fakulteten.
    Rosén, Johanna
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Materialdesign. Linköpings universitet, Tekniska fakulteten.
    Atomic Scale Design of MXenes and Their Parent Materials-From Theoretical and Experimental Perspectives2023Ingår i: Chemical Reviews, ISSN 0009-2665, E-ISSN 1520-6890, Vol. 123, nr 23, s. 13291-13322Artikel, forskningsöversikt (Refereegranskat)
    Abstract [en]

    More than a decade after the discovery of MXene, there has been a remarkable increase in research on synthesis, characterization, and applications of this growing family of two-dimensional (2D) carbides and nitrides. Today, these materials include one, two, or more transition metals arranged in chemically ordered or disordered structures of three, five, seven, or nine atomic layers, with a surface chemistry characterized by surface terminations. By combining M, X, and various surface terminations, it appears that a virtually endless number of MXenes is possible. However, for the design and discovery of structures and compositions beyond current MXenes, one needs suitable (stable) precursors, an assessment of viable pathways for 3D to 2D conversion, and utilization or development of corresponding synthesis techniques. Here, we present a critical and forward-looking review of the field of atomic scale design and synthesis of MXenes and their parent materials. We discuss theoretical methods for predicting MXene precursors and for assessing whether they are chemically exfoliable. We also summarize current experimental methods for realizing the predicted materials, listing all verified MXenes to date, and outline research directions that will improve the fundamental understanding of MXene processing, enabling atomic scale design of future 2D materials, for emerging technologies.

  • 4.
    Björk, Jonas
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Materialdesign. Linköpings universitet, Tekniska fakulteten.
    Halim, Joseph
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Materialdesign. Linköpings universitet, Tekniska fakulteten.
    Zhou, Jie
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Materialdesign. Linköpings universitet, Tekniska fakulteten.
    Rosén, Johanna
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Materialdesign. Linköpings universitet, Tekniska fakulteten.
    Predicting chemical exfoliation: fundamental insights into the synthesis of MXenes2023Ingår i: NPJ 2D MATERIALS AND APPLICATIONS, ISSN 2397-7132, Vol. 7, nr 1, artikel-id 5Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    The factors controlling the top-down synthesis of MXenes, by selectively removing the A elements from parent MAX phases, is still under debate. In particular, understanding why some MAX phases can be used for creating MXenes, while others cannot, is of immense interest and would greatly support computational screening and identification of new two-dimensional materials that could also be created by chemical exfoliation. Here we computationally study the etching of MAX phases in hydrofluoric acid, considering the complete exfoliation process and competing processes during the initial steps of the synthesis. The results are compared to experiments and MAX phases successfully converted to MXenes, as well as so far unsuccessful attempts, including previously unpublished experimental data, rationalizing why some MAX phases are exfoliable while others are not. Our results provide an improved understanding of the synthesis of MXenes under acid conditions, anticipated to be vital for our ability to discover novel two-dimensional materials.

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  • 5.
    Ding, Haoming
    et al.
    Chinese Acad Sci, Peoples R China; Univ Chinese Acad Sci, Peoples R China; CHiTECH, Peoples R China.
    Li, Mian
    Chinese Acad Sci, Peoples R China; CHiTECH, Peoples R China.
    Li, Youbing
    Chinese Acad Sci, Peoples R China; CHiTECH, Peoples R China.
    Chen, Ke
    Chinese Acad Sci, Peoples R China; CHiTECH, Peoples R China.
    Xiao, Yukun
    Chinese Acad Sci, Peoples R China; CHiTECH, Peoples R China.
    Zhou, Jie
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Materialdesign. Linköpings universitet, Tekniska fakulteten.
    Tao, Quanzheng
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Materialdesign. Linköpings universitet, Tekniska fakulteten.
    Rosén, Johanna
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Materialdesign. Linköpings universitet, Tekniska fakulteten.
    Yin, Hang
    Harbin Inst Technol, Peoples R China.
    Bai, Yuelei
    Harbin Inst Technol, Peoples R China.
    Zhang, Bikun
    Beihang Univ, Peoples R China.
    Sun, Zhimei
    Beihang Univ, Peoples R China.
    Wang, Junjie
    Northwestern Polytech Univ, Peoples R China.
    Zhang, Yiming
    Chinese Acad Sci, Peoples R China; CHiTECH, Peoples R China.
    Huang, Zhenying
    Beijing Jiaotong Univ, Peoples R China.
    Zhang, Peigen
    Southeast Univ, Peoples R China.
    Sun, Zhengming
    Southeast Univ, Peoples R China.
    Han, Meikang
    Fudan Univ, Peoples R China; Fudan Univ, Peoples R China.
    Zhao, Shuang
    Peking Univ, Peoples R China.
    Wang, Chenxu
    Peking Univ, Peoples R China.
    Huang, Qing
    Chinese Acad Sci, Peoples R China; CHiTECH, Peoples R China.
    Progress in Structural Tailoring and Properties of Ternary Layered Ceramics2023Ingår i: Journal of Inorganic Materials, ISSN 1000-324X, Vol. 38, nr 8, s. 845-884Artikel, forskningsöversikt (Refereegranskat)
    Abstract [en]

    MAX/MAB phases are a series of non-van der Waals ternary layered ceramic materials with a hexagonal structure, rich in elemental composition and crystal structure, and embody physical properties of both ceramics and metals. They exhibit great potential for applications in extreme environments such as high temperature, strong corrosion, and irradiation. In recent years, two-dimensional (2D) materials derived from the MAX/MAB phase (MXene and MBene) have attracted enormous interest in the fields of materials physics and materials chemistry and become a new 2D van der Waals material after graphene and transition metal dichalcogenides. Therefore, structural modulation of MAX/MAB phase materials is essential for understanding the intrinsic properties of this broad class of layered ceramics and for investigating the functional properties of their derived structures. In this paper, we summarize new developments in MAX/MAB phases in recent years in terms of structural modulation, theoretical calculation, and fundamental application research and provide an outlook on the key challenges and prospects for the future development of these layered materials.

  • 6.
    Zhou, Jie
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Materialdesign. Linköpings universitet, Tekniska fakulteten.
    Tao, Quanzheng
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Materialdesign. Linköpings universitet, Tekniska fakulteten.
    Ahmed, Bilal
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Materialdesign. Linköpings universitet, Tekniska fakulteten.
    Palisaitis, Justinas
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Persson, Ingemar
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Halim, Joseph
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Materialdesign. Linköpings universitet, Tekniska fakulteten.
    Barsoum, Michel W.
    Drexel Univ, PA 19104 USA.
    Persson, Per O Å
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Rosén, Johanna
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Materialdesign. Linköpings universitet, Tekniska fakulteten.
    High-Entropy Laminate Metal Carbide (MAX Phase) and Its Two-Dimensional Derivative MXene2022Ingår i: Chemistry of Materials, ISSN 0897-4756, E-ISSN 1520-5002, Vol. 34, nr 5, s. 2098-2106Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    High-entropy (HE) ceramics, by analogy with HE metallic alloys, are an emerging family of multielemental solid solutions. These materials offer a large compositional space, with a corresponding large range of properties. Here, we report the experimental realization of a 3D HE MAX phase, Ti1,0V0.7Cr0.05Nb1.0Ta1.0AlC3, and a corresponding 2D HE MXene in the form of freestanding flakes of average composition Ti1.1V0.7CrxNb1.0Ta0.6C3Tz (T-z = -F, -O, -OH), as produced by selective removal of AI from the HE MAX phase in aqueous hydrofluoric acid (HF). Initial tests on HE MXene "paper" electrodes show their high potential as electrode materials in supercapacitors through volumetric and gravimetric capacitances of 1688 F/cm(3) and 490 F/g, respectively, originating from a combination of diffusion- and surface-controlled charge storage processes. The introduction of the HE concept into the field of 2D materials suggests a wealth of future 2D materials and applications.

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  • 7.
    Helmer, Pernilla
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Materialdesign. Linköpings universitet, Tekniska fakulteten.
    Halim, Joseph
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Materialdesign. Linköpings universitet, Tekniska fakulteten.
    Zhou, Jie
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Materialdesign. Linköpings universitet, Tekniska fakulteten.
    Mohan, Roopathy
    Chemical Physics, Department of Physics, Chalmers University of Technology, Gothenburg.
    Wickman, Björn
    Chemical Physics, Department of Physics, Chalmers University of Technology, Gothenburg.
    Björk, Jonas
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Materialdesign. Linköpings universitet, Tekniska fakulteten.
    Rosén, Johanna
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Materialdesign. Linköpings universitet, Tekniska fakulteten.
    Investigation of 2D Boridene from First Principles and Experiments2022Ingår i: Advanced Functional Materials, ISSN 1616-301X, E-ISSN 1616-3028, Vol. 32, nr 14, artikel-id 2109060Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    Recently, a 2D metal boride - boridene - has been experimentally realized in the form of single-layer molybdenum boride sheets with ordered metal vacancies, through selective etching of the nanolaminated 3D parent borides (Mo2/3Y1/3)2AlB2 and (Mo2/3Sc1/3)2AlB2. The chemical formula of the boridene was suggested to be Mo4/3B2-xTz, where Tz denotes surface terminations. Here, the termination composition and material properties of Mo4/3B2-xTz from both theoretical and experimental perspectives are investigated. Termination sites are considered theoretically for termination species T = O, OH, and F, and the energetically favored termination configuration is identified at z = 2 for both single species terminations and binary termination mixes of different stoichiometries in ordered and disordered configurations. Mo4/3B2-xTz is shown to be dynamically stable for multiple termination stoichiometries, displaying semiconducting, semimetallic, or metallic behavior depending on how different terminations are combined. The approximate chemical formula of a freestanding film of boridene is attained as Mo1.33B1.9O0.3(OH)1.5F0.7 from X-ray photoelectron spectroscopy (XPS) analysis which, within error margins, is consistent with the theoretical results. Finally, metallic and additive-free Mo4/3B2-xTz shows high catalytic performance for the hydrogen evolution reaction, with an onset potential of 0.15 V versus the reversible hydrogen electrode.

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  • 8.
    Etman, Ahmed
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Materialdesign. Linköpings universitet, Tekniska fakulteten. Alexandria Univ, Egypt.
    Zhou, Jie
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Materialdesign. Linköpings universitet, Tekniska fakulteten.
    Rosén, Johanna
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Materialdesign. Linköpings universitet, Tekniska fakulteten.
    Ti1.1V0.7CrxNb1.0Ta0.6C3Tz high-entropy MXene freestanding films for charge storage applications2022Ingår i: Electrochemistry communications, ISSN 1388-2481, E-ISSN 1873-1902, Vol. 137, artikel-id 107264Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    High-entropy (HE) MXenes are a new emerging class of materials with unique properties, diverse compositions, and potential uses in energy storage devices. Herein, high-entropy MXene, Ti1.1V0.7CrxNb1.0Ta0.6C3Tz (Tz = -F, -O, -OH), freestanding films are prepared and tested as electrodes for Zn-ion hybrid supercapacitors (ZHSC), delivering a capacity up to 77 mAh g-1 (245 mAh cm-3) at 0.5 A g-1 with a capacity retention of 87% after 10,000 cycles. This promising performance in ZHSC is achieved when using Zn(CF3SO3)2 or low-cost ZnCl2 solutions. Furthermore, HE MXene films can be used as a negative electrode for Li-ion batteries with a capacity up to 126 mAh g-1 (400 mAh cm-3) at 0.01 A g-1. This report sheds light on the use of a new class of MXene films for various charge storage applications.

  • 9.
    Zhou, Jie
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Palisaitis, Justinas
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Halim, Joseph
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Dahlqvist, Martin
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Tao, Quanzheng
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Persson, Ingemar
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Hultman, Lars
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Persson, Per O A
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Rosén, Johanna
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Boridene: Two-dimensional Mo4/3B2-x with ordered metal vacancies obtained by chemical exfoliation2021Ingår i: Science, ISSN 0036-8075, E-ISSN 1095-9203, Vol. 373, nr 6556, s. 801-+Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    Extensive research has been invested in two-dimensional (2D) materials, typically synthesized by exfoliation of van der Waals solids. One exception is MXenes, derived from the etching of constituent layers in transition metal carbides and nitrides. We report the experimental realization of boridene in the form of single-layer 2D molybdenum boride sheets with ordered metal vacancies, Mo4/3B2-xTz (where T-z is fluorine, oxygen, or hydroxide surface terminations), produced by selective etching of aluminum and yttrium or scandium atoms from 3D in-plane chemically ordered (Mo2/3Y1/3)(2)AlB2 and (Mo2/3Sc1/3)(2)AlB2 in aqueous hydrofluoric acid. The discovery of a 2D transition metal boride suggests a wealth of future 2D materials that can be obtained through the chemical exfoliation of laminated compounds.

  • 10.
    Dahlqvist, Martin
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Zhou, Jie
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Persson, Ingemar
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Ahmed, Bilal
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Lu, Jun
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Halim, Joseph
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Tao, Quanzheng
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Palisaitis, Justinas
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Thörnberg, Jimmy
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Helmer, Pernilla
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Hultman, Lars
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Persson, Per O Å
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Rosén, Johanna
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Out-Of-Plane Ordered Laminate Borides and Their 2D Ti-Based Derivative from Chemical Exfoliation2021Ingår i: Advanced Materials, ISSN 0935-9648, E-ISSN 1521-4095, Vol. 33, nr 38, artikel-id 2008361Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    Exploratory theoretical predictions in uncharted structural and compositional space are integral to materials discoveries. Inspired by M5SiB2 (T2) phases, the finding of a family of laminated quaternary metal borides, M M-4 SiB2, with out-of-plane chemical order is reported here. 11 chemically ordered phases as well as 40 solid solutions, introducing four elements previously not observed in these borides are predicted. The predictions are experimentally verified for Ti4MoSiB2, establishing Ti as part of the T2 boride compositional space. Chemical exfoliation of Ti4MoSiB2 and select removal of Si and MoB2 sub-layers is validated by derivation of a 2D material, TiOxCly, of high yield and in the form of delaminated sheets. These sheets have an experimentally determined direct band gap of approximate to 4.1 eV, and display characteristics suitable for supercapacitor applications. The results take the concept of chemical exfoliation beyond currently available 2D materials, and expands the envelope of 3D and 2D candidates, and their applications.

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  • 11.
    Wenhao, Ye
    et al.
    Tianjin Univ, Peoples R China; Chinese Acad Sci, Peoples R China.
    Qiang, Wei
    Tianjin Univ, Peoples R China; Hebei Univ Technol, Peoples R China.
    Jiamin, Liang
    Tianjin Univ, Peoples R China; Chinese Acad Sci, Peoples R China.
    Zhou, Jie
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten. Chinese Acad Sci, Peoples R China.
    Fanping, Meng
    Chinese Acad Sci, Peoples R China.
    Eklund, Per
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Qing, Huang
    Chinese Acad Sci, Peoples R China.
    Zr2Al3C4 Coatings on Zirconium-alloy Substrates with Enhanced Adhesion and Diffusion Barriers by Al/Mo-C Interlayers2021Ingår i: Journal of Inorganic Materials, ISSN 1000-324X, Vol. 36, nr 5, s. 541-546Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    Zircaloy coating is one of the crucial technical ways to improve the accident tolerance of nuclear fuel cladding, which enables the zirconium-water reaction problems to be solved. Zr2Al3C4 coating is one type of candidate solutions to improve the high-temperature oxidation resistance of zirconium claddings. However, little study has been performed on the synthesis of Zr2Al3C4 coatings on zirconium alloy substrates due to the inter-diffusion, as well as the difference of the thermal expansion coefficients between the Zr2Al3C4 coating and the substrates. In this study, Zr2Al3C4 coatings were prepared through room-temperature magnetron sputtering and post annealing on zirconium alloy (ZIRLO) substrates with magnetron-sputtered Al/Mo-C interlayers. The effects of Al/Mo-C interlayers on phases and microstructures of Zr-Al-C coatings after annealing were studied by different methods. It is found that the coatings without interlayer are broken and no Zr2Al3C4 phase is formed due to significant interdiffusion between the Zr-Al-C coating and the substrate during annealing at 800 degrees C for 3 h. The Al/Mo-C interlayers prevented elemental diffusion between Zr-Al-C coatings and substrates during the post-annealing process. The Al/Mo-C interlayers act as diffusion barriers and greatly reduce the stoichiometric deviations from Zr2Al3C4 phase, which facilitates the formation of the Zr2Al3C4 phase in the final coating. Moreover, this diffusion-barrier layers contribute to eliminating cracks induced by the difference of the thermal expansion coefficients between the Zr2Al3C4 coatings and substrates. At the same time, the adhesions between Zr-Al-C coatings with Al/Mo-C interlayers and substrates were improved after annealing, with their strength exceeding 30 N.

  • 12.
    Tao, Quanzheng
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Helmer, Pernilla
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Jouffret, Laurent
    Univ Grenoble Alpes, France.
    Dahlqvist, Martin
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Lu, Jun
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Zhou, Jie
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Rosén, Johanna
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Single Crystal Growth and Structural Characterization of Theoretically Predicted Nanolaminates M2Al2C3, Where M = Sc and Er2020Ingår i: Crystal Growth & Design, ISSN 1528-7483, E-ISSN 1528-7505, Vol. 20, nr 12, s. 7640-7646Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    Nanolaminated materials including magnetic ele-ments are of special interest for commonly observed nontrivial magnetic characteristics and as potential precursors for 2D materials. Here, we explore the previously unknown layered phase M2Al2C3, where M = Sc and Er. Sc2Al2C3 was synthesized as single crystals of similar to mm(2) size, and its structure was determined by single crystal X-ray diffraction and scanning transmission electron microscopy. Evaluation of phase stability and possible vacancy formation based on first-principles calculations confirms the attained phase and suggests full occupancy on both the Al and C sites. Potential realization of the hypothetical phase Y2Al2C3 is also proposed. Furthermore, we also demonstrate that Er2Al2C3 can be synthesized in powder form, providing experimental evidence for stoichiometries based on rare earth elements, which, in turn, suggests possible incorporation of other lanthanides.

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  • 13.
    Dahlqvist, Martin
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Tao, Quanzheng
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Zhou, Jie
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Palisaitis, Justinas
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Persson, Per O A
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Rosén, Johanna
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Theoretical Prediction and Synthesis of a Family of Atomic Laminate Metal Borides with In-Plane Chemical Ordering2020Ingår i: Journal of the American Chemical Society, ISSN 0002-7863, E-ISSN 1520-5126, Vol. 142, nr 43, s. 18583-18591Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    All atomically laminated MAB phases (M = transition metal, A = A-group element, and B = boron) exhibit orthorhombic or tetragonal symmetry, with the only exception being hexagonal Ti2InB2. Inspired by the recent discovery of chemically ordered hexagonal carbides, i-MAX phases, we perform an extensive first-principles study to explore chemical ordering upon metal alloying of M2AlB2 (M from groups 3 to 9) in orthorhombic and hexagonal symmetry. Fifteen stable novel phases with in-plane chemical ordering are identified, coined i-MAB, along with 16 disordered stable alloys. The predictions are verified through the powder synthesis of Mo4/3Y2/3 AlB2 and Mo4/3Sc2/3AlB2 of space group R (3) over barm (no. 166), displaying the characteristic in-plane chemical order of Mo and Y/Sc and Kagome ordering of the Al atoms, as evident from X-ray diffraction and electron microscopy. The discovery of i-MAB phases expands the elemental space of these borides with M = Sc, Y, Zr, Hf, and Nb, realizing an increased property tuning potential of these phases as well as their suggested potential twodimensional derivatives.

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  • 14.
    Li, Mian
    et al.
    Chinese Acad Sci, Peoples R China.
    Lu, Jun
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Luo, Kan
    Chinese Acad Sci, Peoples R China.
    Li, Youbing
    Chinese Acad Sci, Peoples R China.
    Chang, Keke
    Chinese Acad Sci, Peoples R China.
    Chen, Ke
    Chinese Acad Sci, Peoples R China.
    Zhou, Jie
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Rosén, Johanna
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Hultman, Lars
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Eklund, Per
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Persson, Per O A
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Du, Shiyu
    Chinese Acad Sci, Peoples R China.
    Chai, Zhifang
    Chinese Acad Sci, Peoples R China.
    Huang, Zhengren
    Chinese Acad Sci, Peoples R China.
    Huang, Qing
    Chinese Acad Sci, Peoples R China.
    Element Replacement Approach by Reaction with Lewis Acidic Molten Salts to Synthesize Nanolaminated MAX Phases and MXenes2019Ingår i: Journal of the American Chemical Society, ISSN 0002-7863, E-ISSN 1520-5126, Vol. 141, nr 11, s. 4730-4737Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    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.

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  • 15.
    Lu, Jun
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Persson, Ingemar
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Lind, Hans
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Palisaitis, Justinas
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Li, M.
    Chinese Acad Sci, Peoples R China.
    Li, Y.
    Chinese Acad Sci, Peoples R China.
    Chen, K.
    Chinese Acad Sci, Peoples R China.
    Zhou, Jie
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten. Chinese Acad Sci, Peoples R China.
    Du, S.
    Chinese Acad Sci, Peoples R China.
    Chai, Z.
    Chinese Acad Sci, Peoples R China.
    Huang, Z.
    Chinese Acad Sci, Peoples R China.
    Hultman, Lars
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Eklund, Per
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Rosén, Johanna
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Huang, Q.
    Chinese Acad Sci, Peoples R China.
    Persson, Per O. Å.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Tin+1Cn MXenes with fully saturated and thermally stable Cl terminations2019Ingår i: Nanoscale Advances, E-ISSN 2516-0230, Vol. 1, nr 9, s. 3680-3685Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    MXenes are a rapidly growing family of 2D materials that exhibit a highly versatile structure and composition, allowing for significant tuning of the materials properties. These properties are, however, ultimately limited by the surface terminations, which are typically a mixture of species, including F and O that are inherent to the MXene processing. Other and robust terminations are lacking. Here, we apply high-resolution scanning transmission electron microscopy (STEM), corresponding image simulations and first-principles calculations to investigate the surface terminations on MXenes synthesized from MAX phases through Lewis acidic melts. The results show that atomic Cl terminates the synthesized MXenes, with mere residual presence of other termination species. Furthermore, in situ STEM-electron energy loss spectroscopy (EELS) heating experiments show that the Cl terminations are stable up to 750 degrees C. Thus, we present an attractive new termination that widely expands the MXenes functionalization space and enables new applications.

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