By virtue of being atomically thin, the electronic properties of heterostructures built from two-dimensional materials are strongly influenced by atomic relaxation. The atomic layers behave as flexible membranes rather than rigid crystals. Here we develop an analytical theory of lattice relaxation in twisted moiré materials. We obtain analytical results for the lattice displacements and corresponding pseudo gauge fields, as a function of twist angle. We benchmark our results for twisted bilayer graphene and twisted WSe_{2} bilayers using large-scale molecular dynamics simulations. Our single-parameter theory is valid in graphene bilayers for twist angles θ≳0.7°, and in twisted WSe_{2} for θ≳1.6°. We also investigate how relaxation alters the electronic structure in twisted bilayer graphene, providing a simple extension to the continuum model to account for lattice relaxation.
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Heliyon
January 2025
Division of Polymer Chemistry, Department of Chemistry, Atomic Energy Commission, P.O. Box: 6091, Damascus, Syrian Arab Republic.
The degree of sulfonation (DS) is a key property of sulfonated polymers, as it significantly influences their swelling behaviour, conductivity and mechanical properties. Accurately determining the DS is essential for optimizing these materials for various applications. In this work, the DS of sulfonated poly (ether ether ketone) (SPEEK) was evaluated using a combination of analytical techniques, including titration, back titration, Fourier Transform Infrared (FTIR), Ultra-Violet (UV) and proton nuclear magnetic resonance (H NMR) spectroscopies, Thermogravimetric analysis (TGA), Rutherford backscattering (RBS) and particle induced X-ray emission (PIXE) analysis.
View Article and Find Full Text PDFBiomol NMR Assign
January 2025
Department of Chemistry, Iowa State University, Hach Hall, 2438 Pammel Drive, Ames, IA, 50011, USA.
The Alkbh7 protein, a member of the Alkylation B (AlkB) family of dioxygenases, plays a crucial role in epigenetic regulation of cellular metabolism. This paper focuses on the NMR backbone resonance assignment of Alkbh7, a fundamental step in understanding its three-dimensional structure and dynamic behavior at the atomic level. Herein, we report the backbone H, N, C chemical shift assignment of the full-length human Alkbh7.
View Article and Find Full Text PDFPhys Rev Lett
December 2024
National University of Singapore, Department of Materials Science and Engineering, 9 Engineering Drive 1, Singapore 117575.
By virtue of being atomically thin, the electronic properties of heterostructures built from two-dimensional materials are strongly influenced by atomic relaxation. The atomic layers behave as flexible membranes rather than rigid crystals. Here we develop an analytical theory of lattice relaxation in twisted moiré materials.
View Article and Find Full Text PDFJ Chromatogr A
January 2025
Waters Corporation, Instrument/Core Research/Fundamental, Milford, MA, 01757, USA. Electronic address:
Significant progress has been made in the last two decades in producing small (<2μm), high-purity, and low-adsorption particles, columns and system hardware, for ultra-high pressure liquid chromatography (UHPLC). Simultaneously, the recent rapid expansion of cell and gene therapies for treating diseases necessitates novel analytical technologies for analyzing large (>2 kbp) plasmid double-stranded (ds) DNA (which encodes for the in vitro transcription (IVT) of single-stranded (ss) mRNA therapeutics) and dsRNAs (related to IVT production impurities) biopolymers. In this context, slalom chromatography (SC), a retention mode co-discovered in 1988, is being revitalized using the most advanced column technologies for improved determination of the critical quality attributes (CQAs) of such new therapeutics.
View Article and Find Full Text PDFDalton Trans
January 2025
Tyndall National Institute, University College Cork, Lee Maltings, Dyke Parade, Cork, T12 R5CP, Ireland.
Layered materials, such as tungsten dichalcogenides (TMDs), are being studied for a wide range of applications, due to their unique and varied properties. Specifically, their use as either a support for low dimensional catalysts or as an ultrathin diffusion barrier in semiconductor devices interconnect structures are particularly relevant. In order to fully realise these possible applications for TMDs, understanding the interaction between metals and the monolayer they are deposited on is of utmost importance.
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