Lithium (Li) metal offers the highest projected energy density as a battery anode, however its extremely high reactivity induces dendrite growth and dead Li formation during repeated charge/discharge processes, resulting in both poor reversibility and catastrophic failure. Approaches reported to date often seek to suppress dendrites formation at the expense of energy density. Here, a strategy that resolves the above conflict and achieves a dendrite-free and long-term reversible Li metal anode is reported. A self-organized core-shell composite anode, comprising an outer sheath of lithiated liquid metal (Li LM ) and an inner layer of Li metal, is developed, which posesses high electrical and ionic conductivity, and physically separates Li from the electrolyte. The introduction of Li LM not only prevents dendrite formation, but also eliminates the use of copper as an inert substrate. Full cells made of such composite anodes and commercially available LiNi Co Mn O (NCM ) cathodes deliver ultrahigh energy density of 1500 Wh L and 483 Wh kg . The high capacity can be maintained for more than 500 cycles, with fading rate of less than 0.05% per cycle. Pairing with LiNi Co Mn O (NCM ) further raises the energy density to 1732 Wh L and 514 Wh kg .
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http://dx.doi.org/10.1002/adma.202004793 | DOI Listing |
J Phys Chem A
January 2025
Department of Chemistry and Biochemistry, Shahrood Branch, Islamic Azad University, 36714 Shahrood, Iran.
This study investigates the nature and interplay of noncovalent interactions (NCIs)─tetrel bonds (TB), hydrogen bonds (HB), and halogen bonds (XB)─in molecular assemblies formed between trifluorogermyl hypochlorite (FGeOCl) and hydrogen cyanide (HCN). Using a combination of high-level computational methods, we explored the geometric, energetic, and electronic properties of dimers, trimers, and tetramers formed in different molar ratios of interacting reagents. Various analyses reveal a significant cooperativity between TB and HB, which mutually reinforce each other, while XB interactions are diminished in the presence of TB and HB.
View Article and Find Full Text PDFActa Bioeng Biomech
June 2024
2Daping Hospital, Army Medical Center, Chongqing, China.
: This study explores how thoracic orientation affects lung pressure and injury outcomes from shock waves, building on earlier research that suggested human posture impacts injury severity. : A layered finite element model of the chest was constructed based on the Chinese Visual Human Dataset (CVH), including the rib and intercostal muscle layers. The dynamic response of the chest under 12 different angle-oriented shock waves under incident pressures of 200 kPa and 500 kPa was calculated.
View Article and Find Full Text PDFJ Comput Chem
January 2025
Department of Chemistry, 1102 Natural Sciences II, University of California Irvine, Irvine, California, USA.
The high-energy shoulder in the gas-phase fluorescence emission spectrum of pyrene is a well-known example of non-Kasha emission. We comparatively assess two approaches, vibronic perturbation theory and nonadiabatic dynamics, in their ability to predict and explain the gas-phase fluorescence spectrum of pyrene. While both methods qualitatively capture the non-Kasha emission, they differ in their computational requirements, accuracy, and physical interpretation.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
Center for Sustainable Catalysis and Engineering, KU Leuven, Celestijnenlaan 200F, Leuven 3001, Belgium.
The local environment of the active site, such as the confinement of hydronium ions within zeolite pores, significantly influences catalytic turnover, similar to enzyme functionality. This study explores these effects in the hydrolysis of guaiacols─lignin-derived compounds─over zeolites in water. In addition to the interesting catechol products, this reaction is advantageous for study due to its bimolecular hydrolysis pathway, which involves a single energy barrier and no intermediates, simplifying kinetic studies and result interpretation.
View Article and Find Full Text PDFJ Comput Chem
January 2025
Institute of Soil Science and Soil Conservation, Research Centre for BioSystems, Land Use and Nutrition (iFZ), Justus Liebig University Giessen, Giessen, Germany.
Halogenated benzenes (HBs) are hydrophobic organic chemicals belonging to persistent organic pollutants. Owing to their persistence, they represent a serious problem in environmental contamination, specifically of soils and sediments. One of the most important physical processes determining the fate of HBs in soils is adsorption to main soil components such as soil organic matter and soil minerals.
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