▲ Vol 07 Issue 05 |  September, 2024

Synergistic Coupling of Sulfide Electrolyte and Integrated 3D FeS2 Electrode Toward Long-Cycling All-Solid-State Lithium Batteries

Wenyi Liu, Yongzhi Zhao, Chengjun Yi, Weifei Hu, Jiale Xia, Yuanyuan Li, Jinping Liu

FeS2 cathode is promising for all-solid-state lithium batteries due to its ultra-high capacity, low cost, and environmental friendliness. However, the poor performances, induced by limited electrode-electrolyte interface, severe volume expansion, and polysulfide shuttle, hinder the application of FeS2 in all-solid-state lithium batteries. Herein, an integrated 3D FeS2 electrode with full infiltration of Li6PS5Cl sulfide electrolytes is designed to address these challenges. Such a 3D integrated design not only achieves intimate and maximized interfacial contact between electrode and sulfide electrolytes, but also effectively buffers the inner volume change of FeS2 and completely eliminates the polysulfide shuttle through direct solid–solid conversion of Li2S/S. Besides, the vertical 3D arrays guarantee direct electron transport channels and horizontally shortened ion diffusion paths, endowing the integrated electrode with a remarkably reduced interfacial impedance and enhanced reaction kinetics. Benefiting from these synergies, the integrated all-solid-state lithium battery exhibits the largest reversible capacity (667 mAh g−1), best rate performance, and highest capacity retention of 82% over 500 cycles at 0.1 C compared to both a liquid battery and non-integrated all-solid-state lithium battery. The cycling performance is among the best reported for FeS2-based all-solid-state lithium batteries. This work presents an innovative synergistic strategy for designing long-cycling high-energy all-solid-state lithium batteries, which can be readily applied to other battery systems, such as lithium-sulfur batteries.

https://onlinelibrary.wiley.com/doi/10.1002/eem2.12719

▲ Vol 01 Issue 03 |  September, 2024

The future of carbon anodes for lithium-ion batteries: The rational regulation of graphite interphase

Bin Cao, Mengjiao Du, Zirong Guo, Huan Liu, Chong Yan, Aibing Chen, Xiang Chen, Cheng Tang, Jia-Qi Huang, Qiang Zhang

Interphase regulation of graphite anodes is indispensable for augmenting the performance of lithium-ion batteries (LIBs). The resulting solid electrolyte interphase (SEI) is crucial in ensuring anode stability, electrolyte compatibility, and efficient charge transfer kinetics, which in turn dictates the cyclability, fast-charging capability, temperature tolerance, and safety of carbon anodes. Continuous research endeavors are deepening our comprehension of the interphasial chemistry, underscoring the imperative to refine the SEI through economically viable and scalable techniques. The ongoing advancement of surface coating techniques involving amorphous carbons or Li-ion conductors, along with electrolyte formulations optimization such as the integration of film-forming additives, has become the cornerstones in regulating the SEI. These innovations are reshaping the landscape of current LIBs by refining the electrode interphase, paving the way to construct more potent and efficient energy storage systems. The relentless drive to optimize the interphase through cutting-edge technologies is central to the future of LIBs, with the ambitious goals of achieving higher energy densities, ensuring safety, and promoting sustainability in energy storage solutions. This review affords a comprehensive overview of the progression in carbon anode development and current status of their industrialization, underscoring the critical role of interphase regulation engineering in advancing the LIB technology.

https://www.sciopen.com/article/10.26599/CF.2024.9200017

▲ Vol 42 Issue 17 |  01 September, 2024

Prediction of Bond Dissociation Energy for Organic Molecules Based on a Machine-Learning Approach

Yidi Liu, Yao Li, Qi Yang, Jin-Dong Yang, Long Zhang, Sanzhong Luo

IBond dissociation energy (BDE), which refers to the enthalpy change for the homolysis of a specific covalent bond, is one of the basic thermodynamic properties of molecules. It is very important for understanding chemical reactivities, chemical properties and chemical transformations. Here, a machine learning-based comprehensive BDE prediction model was established based on the iBonD experimental BDE dataset and the calculated BDE dataset by St. John et al. Differential Structural and PhysicOChemical (D-SPOC) descriptors that reflected changes in molecules’ structural and physicochemical features in the process of bond homolysis were designed as input features. The model trained with LightGBM algorithm gave a low mean absolute error (MAE) of 1.03 kcal/mol on the test set. The D-SPOC model could apply to accurate BDE prediction of phenol O—H bonds, uncommon N-SCF3 and O-SCF3 reagents, and β-C—H bonds in enamine intermediates. A fast online prediction platform was constructed based on the D-SPOC model, which could be found at http://isyn.luoszgroup.com/bde_prediction.

https://onlinelibrary.wiley.com/doi/10.1002/cjoc.202400049

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静远嘲风（MY Scimage） 成立于2007年，嘲风取自中国传统文化中龙生九子，子子不同的传说，嘲风为守护屋脊之瑞兽，喜登高望远；静远取自成语“宁静致远”，登高莫忘初心，远观而不可务远。

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