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LaTe is a non-centrosymmetric material with time reversal symmetry, where the charge density wave is hosted by the Te bilayers. Here, we show that LaTe hosts a Kramers nodal line-a twofold degenerate nodal line connecting time reversal-invariant momenta. We use angle-resolved photoemission spectroscopy, density functional theory with an experimentally reported modulated structure, effective band structures calculated by band unfolding, and symmetry arguments to reveal the Kramers nodal line. Furthermore, calculations confirm that the nodal line imposes gapless crossings between the bilayer-split charge density wave-induced shadow bands and the main bands. In excellent agreement with the calculations, spectroscopic data confirm the presence of the Kramers nodal line and show that the crossings traverse the Fermi level. Furthermore, spinless nodal lines-completely gapped out by spin-orbit coupling-are formed by the linear crossings of the shadow and main bands with a high Fermi velocity.
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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10279677 | PMC |
http://dx.doi.org/10.1038/s41467-023-39271-1 | DOI Listing |
Chem Sci
December 2024
Jiangsu Key Laboratory of New Power Batteries, Jiangsu Collaborative Innovation Center of Biomedical Functional Materials, School of Chemistry and Materials Science, Nanjing Normal University Nanjing 210023 China
Hydrazine-assisted water splitting is a promising strategy for energy-efficient hydrogen production, yet challenges remain in developing effective catalysts that can concurrently catalyze both the hydrogen evolution reaction (HER) and hydrazine oxidation reaction (HzOR) in acidic media. Herein, we report an effective bifunctional catalyst consisting of Rh clusters anchored on CoO branched nanosheets (Rh-CoO BNSs) synthesized an innovative arginine-induced strategy. The Rh-CoO BNSs exhibit unique Rh-O-Co interfacial sites that facilitate charge redistribution between Rh clusters and the CoO substrate, thereby optimizing their valence electronic structures.
View Article and Find Full Text PDFChem Sci
December 2024
Key Laboratory of Bio-inspired Materials and Interfacial Science, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences Beijing 100190 China
Nanofluidics is a system of fluid transport limited to a nano-confined space, including the transport of ions and molecules. The use of intelligent nanofluidics has shown great potential in energy conversion. However, ion transport is hindered by homogeneous membranes with uniform charge distribution and concentration polarization, which often leads to an undesirable power conversion performance.
View Article and Find Full Text PDFJ Phys Chem A
December 2024
DTU Chemistry, Technical University of Denmark, Kemitorvet Bldg. 206, 2800 Kgs., Lyngby 2800, Denmark.
We present a new theory for partitioning simulations of periodic and solid-state systems into physically sound atomic contributions at the level of Kohn-Sham density functional theory. Our theory is based on spatially localized linear combinations of crystalline Gaussian-type orbitals and, as such, capable of exposing local features within periodic electronic structures in a more intuitive and robust manner than alternatives based on the spatial distribution of atomic basis functions alone. Early decomposed cohesive energies of both molecular polymers and different crystalline polymorphs demonstrate how the atomic properties yielded by our theory convincingly align with the expected charge polarization in these systems, also whenever partial charges and Madelung energies may lend themselves somewhat ambiguous to interpretation.
View Article and Find Full Text PDFBiochemistry
December 2024
Department of Chemistry, The University of Texas at Austin, Austin, Texas 78712, United States.
The effects of guanidinium hydrochloride (GdmCl) on two intrinsically disordered proteins (IDPs) are investigated using simulations of the self-organized polymer-IDP (SOP-IDP) model. The impact of GdmCl is taken into account using the molecular transfer model (MTM). We show that due to the dramatic reduction in the stiffness of the highly charged Prothymosin-α (ProTα) with increasing concentration of GdmCl ([GdmCl]), the radius of gyration () decreases sharply until about 1.
View Article and Find Full Text PDFDiscov Nano
December 2024
School of Materials and Energy, University of Electronic Science and Technology of China, Chengdu, 611731, Sichuan, People's Republic of China.
LiTiO (LTO) batteries are known for safety and long lifespan due to zero-strain and stable lattice. However, their low specific capacity and lithium-ion diffusion limit practical use. This study explored modifying LTO through yttrium doping by hydrothermal method to form LiYTiO nanoparticles.
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