Similar Publications

Ternary NASICON-Type NaVMnFe(PO)/NC@CNTs Cathode with Reversible Multielectron Reaction and Long Life for Na-Ion Batteries.

ACS Appl Mater Interfaces

January 2025

Key Laboratory of Low Carbon Energy and Chemical Engineering of Gansu Province, Lanzhou 730050, China.

Na superionic conductor (NASICON)-structure NaMnV(PO) (NVMP) electrode materials reveal highly attractive application prospects due to ultrahigh energy density originating from two-electron reactions. Nevertheless, NVMP also encounters challenges with its poor electronic conductivity, Mn dissolution, and Jahn-Teller distortion. To address this issue, utilizing N-doped carbon layers and carbon nanotubes (CNTs) for dual encapsulation enhances the material's electronic conductivity, creating an effective electron transport network that promotes the rapid diffusion and storage of Na.

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Avoiding severe structural distortion, irreversible phase transition, and realizing the stabilized multielectron redox are vital for promoting the development of high-performance NASICON-type cathode materials for sodium-ion batteries (SIBs). Herein, a high-entropy NaVFeTiMnCr(PO) (HE-NaTMP) cathode material is prepared by ultrafast high-temperature shock, which inhibits the possibility of phase separation and achieves reversible and stable multielectron transfer of 2.4/2.

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Exploring the correlation between chemical bonding and structural distortions in TbCuTe.

J Phys Condens Matter

January 2025

Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1, D-52074 Aachen, Germany.

The design of solid-state materials requests a thorough understanding of the structural preferences among plausible structure models. Since the bond energy contributes to the formation energy of a given structure model, it also is decisive to determine the nature of chemical bonding for a given material. In this context, we were motivated to explore the correlation between chemical bonding and structural distortions within the low-dimensional tellurium fragments in TbCuTe.

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Objectives: Unlike other diseases, cancer is not just a genome disease but should broadly be viewed as a disease of the cellular machinery. Therefore, integrative multifaceted approaches are crucial to understanding the complex nature of cancer biology. Bcl-2 (B-cell lymphoma 2), encoded by the human BCL-2 gene, is an anti-apoptotic molecule that plays a key role in apoptosis and genetic variation of Bcl-2 proteins and is vital in disrupting the apoptotic machinery.

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This study examines the intricate area of refractory-based high entropy alloys (RHEAs), focusing on a series of complex compositions involving nine diverse refractory elements: Ti, V, Cr, Zr, Nb, Mo, Hf, Ta, and W. We investigate the phase stability, bonding interactions, electronic structures, lattice distortions, mechanical, and thermal properties of six RHEAs with varying elemental ratios using VASP and OLCAO DFT calculations. Through comprehensive analysis, we investigate the impact of elemental variations on the electronic structure, interacting bond dynamics, lattice distortion, thermodynamic, mechanical, and thermal properties within these RHEAs, providing an insight into how these specific elemental variations in composition give rise to changes in the calculated properties in ways that would guide future experimental and computational efforts.

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