Ultrahigh nickel cathode materials are widely utilized due to their outstanding energy and power densities. However, the presence of cobalt can cause significant lattice distortion during charge and discharge cycles, leading to the loss of active lithium, the formation of lattice cracks, and the emergence of a rock salt phase that hinders lithium-ion transport. Herein, we developed a novel cobalt-free, aluminum-doped cathode material, LiNiMnAlO (NMA), which effectively delays the harmful H2-H3 phase transition, reduces lattice distortion, alleviates stress release, and significantly enhances structural stability. Compared to commercially available Co-rich LiNiCoMnO (NCM) materials, NMA offers a cost reduction of approximately 16% while maintaining comparable capacity. Moreover, NMA exhibits superior rate performance and long-term cycling stability in both half-cell and full-cell configurations. These findings pave the way for the development of cost-effective, high-performance, and durable cobalt-free cathode materials, offering promising potential for future research and commercial applications.
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http://dx.doi.org/10.1021/acs.nanolett.4c05085 | DOI Listing |
Nano Lett
January 2025
College of Chemistry and Materials Science, Hebei University, Baoding 071002, Hebei, P. R. China.
Ultrahigh nickel cathode materials are widely utilized due to their outstanding energy and power densities. However, the presence of cobalt can cause significant lattice distortion during charge and discharge cycles, leading to the loss of active lithium, the formation of lattice cracks, and the emergence of a rock salt phase that hinders lithium-ion transport. Herein, we developed a novel cobalt-free, aluminum-doped cathode material, LiNiMnAlO (NMA), which effectively delays the harmful H2-H3 phase transition, reduces lattice distortion, alleviates stress release, and significantly enhances structural stability.
View Article and Find Full Text PDFActa Crystallogr B Struct Sci Cryst Eng Mater
February 2025
Faculty of Electrical Engineering, Czestochowa University of Technology, 17 Al. Armii Krajowej, Częstochowa, PL-42200, Poland.
We report a complete set of elastic, piezooptic and photoelastic tensor constants of scheelite crystals CaMoO, BaMoO, BaWO and PbWO determined by density functional theory (DFT) calculations using the quantum chemical software package CRYSTAL17. The modulation parameter, i.e.
View Article and Find Full Text PDFJ Phys Chem Lett
January 2025
School of Chemistry and Chemical Engineering/Institute of Clean Energy and Materials/Guangzhou Key Laboratory for Clean Energy and Materials, Guangzhou University, Guangzhou Higher Education Mega Center, 230 Wai Huan Xi Road, Guangzhou, Guangdong 510006, People's Republic of China.
Intentional doping plays a pivotal role in customizing metal halides' electronic and optical features. This work manipulates the incorporation and distribution of Mn in Cu(I) halide by controlling the elemental steps involved in the growth-doping kinetics as well as investigates the localized lattice and electronic structures in different doping configurations. Complementary experimental and theoretical results demonstrate that a uniform and relatively high Mn doping level can be achieved by a step-tailored strategy that encompasses reducing the growth rate of the halide matrix, enhancing the surface adsorption of Mn, and facilitating the incorporation of the dopants.
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
Department of Physics, School of Physical Science and Engineering, Beijing Jiaotong University, Beijing 100044, China.
Two-dimensional (2D) materials with spontaneous polarization can exhibit large second-order nonlinear optical (NLO) effects. Here, we present a series of stable distorted monolayers by using first-principles calculations and lattice vibration analysis. The structural distortion leads to a lower polar symmetry, giving rise to intrinsic ferroelectricity with a Curie point up to room temperature.
View Article and Find Full Text PDFACS Omega
January 2025
Department of Physics and Institute of Quantum Convergence Technology, Kangwon National University, Chuncheon 24341, South Korea.
Zinc oxide (ZnO) thin-film transistors (TFTs) can be promising for applications in wide-band light absorption. However, they suffer from retarded photoresponse characteristics due to atomic defects and the resulting localized electronic states. To investigate the photoinduced localized states of the ZnO TFTs, here, we combine X-ray photoelectron spectroscopy, atomic force microscopy, and density functional theory (DFT) calculations.
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