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1. Lithium-based vertically aligned nancomposite films incorporating Li _x La _0.32 (Nb _0.7 Ti _0.32 )O ₃ electrolyte with high Li ⁺ ion conductivity

   https://doi.org/10.1063/5.0086844  

   Lovett, Adam J.; Kursumovic, Ahmed; Dutton, Siân; Qi, Zhimin; He, Zihao; Wang, Haiyan; MacManus-Driscoll, Judith L. (May 2022, APL Materials)

   Vertically aligned nanocomposite (VAN) thin films have shown strong potential in oxide nanoionics but are yet to be explored in detail in solid-state battery systems. Their 3D architectures are attractive because they may allow enhancements in capacity, current, and power densities. In addition, owing to their large interfacial surface areas, the VAN could serve as models to study interfaces and solid-electrolyte interphase formation. Here, we have deposited highly crystalline and epitaxial vertically aligned nanocomposite films composed of a Li x La 0.32±0.05 (Nb 0.7±0.1 Ti 0.32±0.05 )O 3±δ -Ti 0.8±0.1 Nb 0.17±0.03 O 2±δ -anatase [herein referred to as LL(Nb, Ti)O-(Ti, Nb)O 2 ] electrolyte/anode system, the first anode VAN battery system reported. This system has an order of magnitude increased Li + ionic conductivity over that in bulk Li 3x La 1/3−x NbO 3 and is comparable with the best available Li 3x La 2/3−x TiO 3 pulsed laser deposition films. Furthermore, the ionic conducting/electrically insulating LL(Nb, Ti)O and electrically conducting (Ti, Nb)O 2 phases are a prerequisite for an interdigitated electrolyte/anode system. This work opens up the possibility of incorporating VAN films into an all solid-state battery, either as electrodes or electrolytes, by the pairing of suitable materials. 

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2. Microstructures and Properties of the Low-Density Al15Zr40Ti28Nb12M(Cr, Mo, Si)5 High-Entropy Alloys

   https://doi.org/10.3390/met12030496  

   Li, Yasong; Liaw, Peter K.; Zhang, Yong (March 2022, Metals)

   Low-density materials show promising prospects for industrial application in engineering, and have remained a research hotspot. The ingots of Al15Zr40Ti28Nb12Cr5, Al15Zr40Ti28Nb12Mo5 and Al15Zr40Ti28Nb12Si5 high-entropy alloys were prepared using an arc melting method. With the addition of the Cr, Mo, and Si, the phase structures of these alloys changed to a dual phase. The Cr and Mo promote the formation of the B2 phase, while the Si promotes the formation of a large amount of the silicides. The compression yield strengths of these alloys are ~1.36 GPa, ~1.27 GPa, and ~1.35 GPa, respectively. The addition of Si and Cr significantly reduces the compression ductility, and the Al15Zr40Ti28Nb12SiMo5 high-entropy alloy exhibits excellent comprehensive mechanical properties. This work investigated the influence of Cr, Mo, and Si on the phase structures and properties of the low-density Al-Zr-Ti-Nb high-entropy alloys, providing theoretical and scientific support for the development of advanced low-density alloys. 

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3. A theoretical investigation of the effect of Ga alloying on thermodynamic stability, electronic-structure, and oxidation resistance of Ti2AlC MAX phase

   https://doi.org/10.1038/s41598-022-17365-y  

   Sauceda, Daniel; Singh, Prashant; Arroyave, Raymundo (December 2022, Scientific Reports)

   Abstract We present a systematic investigation of thermodynamic stability, phase-reaction, and chemical activity of Al containing disordered Ti 2 (Al-Ga)C MAX phases using machine-learning driven high-throughput framework to understand the oxidation resistance behavior with increasing temperature and exposure to static oxygen. The A-site (at Al) disordering in  Ti 2 AlC MAX (M=Ti, A=Al, X=C) with Ga shows significant change in the chemical activity of Al with increasing temperature and exposure to static oxygen, which is expected to enable surface segregation of Al, thereby, the formation of Al 2 O 3 and improved oxidation resistance. We performed in-depth convex hull analysis of ternary Ti–Al–C, Ti–Ga–C, and Ti–Al–Ga–C based MAX phase, and provide detailed contribution arising from electronic, chemical and vibrational entropies. The thermodynamic analysis shows change in the Gibbs formation enthalpy (Δ G form ) at higher temperatures, which implies an interplay of temperature-dependent enthalpy and entropic contributions in oxidation resistance Ga doped Ti 2 AlC MAX phases. A detailed electronic structure and chemical bonding analysis using crystal orbital Hamilton population method reveal the origin of change in phases stability and in oxidation resistance in disorder Ti 2 (Al 1−x Ga x )C MAX phases. Our electronic structure analysis correlate well with the change in oxidation resistance of Ga doped MAX phases. We believe our study provides a useful guideline to understand to role of alloying on electronic, thermodynamic, and oxidation related mechanisms of bulk MAX phases, which can work as a precursor to understand oxidation behavior of two-dimensional MAX phases, i.e., MXenes (transition metal carbides, carbonitrides and nitrides). 

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4. Synthesis of new M-layer solid-solution 312 MAX phases (Ta _1−x Ti _x ) ₃ AlC ₂ ( x = 0.4, 0.62, 0.75, 0.91 or 0.95), and their corresponding MXenes

   https://doi.org/10.1039/D0RA09761F  

   Rigby, Maxwell T.; Natu, Varun; Sokol, Maxim; Kelly, Daniel J.; Hopkinson, David G.; Zou, Yichao; Bird, James R.; Evitts, Lee J.; Smith, Matt; Race, Christopher P.; et al (January 2021, RSC Advances)

   null (Ed.)

   Quaternary MAX phases, (Ta 1−x Ti x ) 3 AlC 2 ( x = 0.4, 0.62, 0.75, 0.91 or 0.95), have been synthesised via pressureless sintering of TaC, TiC, Ti and Al powders. Via chemical etching of the Al layers, (Ta 0.38 Ti 0.62 ) 3 C 2 T z – a new MXene, has also been synthesised. All materials contain an M-layer solid solution of Ta and Ti, with a variable Ta concentration, paving the way for the synthesis of a range of alloyed (Ta,Ti) 3 C 2 T z MXenes with tuneable compositions for a wide range of potential applications. 

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5. Surface equilibration mechanism controls the molecular packing of glassy molecular semiconductors at organic interfaces

   https://doi.org/10.1073/pnas.2111988118  

   Fiori, Marie E.; Bagchi, Kushal; Toney, Michael F.; Ediger, M. D. (October 2021, Proceedings of the National Academy of Sciences)

   Glasses prepared by physical vapor deposition (PVD) are anisotropic, and the average molecular orientation can be varied significantly by controlling the deposition conditions. While previous work has characterized the average structure of thick PVD glasses, most experiments are not sensitive to the structure near an underlying substrate or interface. Given the profound influence of the substrate on the growth of crystalline or liquid crystalline materials, an underlying substrate might be expected to substantially alter the structure of a PVD glass, and this near-interface structure is important for the function of organic electronic devices prepared by PVD, such as organic light-emitting diodes. To study molecular packing near buried organic–organic interfaces, we prepare superlattice structures (stacks of 5- or 10-nm layers) of organic semiconductors, Alq3 (Tris-(8-hydroxyquinoline)aluminum) and DSA-Ph (1,4-di-[4-(N,N-diphenyl)amino]styrylbenzene), using PVD. Superlattice structures significantly increase the fraction of the films near buried interfaces, thereby allowing for quantitative characterization of interfacial packing. Remarkably, both X-ray scattering and spectroscopic ellipsometry indicate that the substrate exerts a negligible influence on PVD glass structure. Thus, the surface equilibration mechanism previously advanced for thick films can successfully describe PVD glass structure even within the first monolayer of deposition on an organic substrate. 

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