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Electrolyte Design Chart Reframed by Intermolecular Interactions for High-Performance Li-Ion Batteries.
Huang, Renzhi; Guo, Xin; Chen, Binbin; Ma, Mengying; Chen, Qinlong; Zhang, Canfu; Liu, Yingchun; Kong, Xueqian; Fan, Xiulin; Wang, Linjun; Ling, Min; Pan, Huilin.
Afiliación
  • Huang R; Department of Chemistry, Zhejiang University, Hangzhou 310012, China.
  • Guo X; Zhejiang Provincial Key Laboratory of Advanced Chemical Engineering Manufacture Technology, College of Chemical and Biological Engineering, Zhejiang University, Hangzhou 310027, China.
  • Chen B; Department of Chemistry, Zhejiang University, Hangzhou 310012, China.
  • Ma M; Key Laboratory of Excited-State Materials of Zhejiang Province, Department of Chemistry, Zhejiang University, Hangzhou 310058, China.
  • Chen Q; Department of Chemistry, Zhejiang University, Hangzhou 310012, China.
  • Zhang C; Department of Chemistry, Zhejiang University, Hangzhou 310012, China.
  • Liu Y; Department of Chemistry, Zhejiang University, Hangzhou 310012, China.
  • Kong X; Department of Chemistry, Zhejiang University, Hangzhou 310012, China.
  • Fan X; Department of Chemistry, Zhejiang University, Hangzhou 310012, China.
  • Wang L; Department of Chemistry, Zhejiang University, Hangzhou 310012, China.
  • Ling M; Institute of Translational Medicine, Shanghai Jiao Tong University, Shanghai 200240, China.
  • Pan H; State Key Laboratory of Silicon and Advanced Semiconductor Materials, School of Materials Science and Engineering, Zhejiang University, Hangzhou 310058, China.
JACS Au ; 4(5): 1986-1996, 2024 May 27.
Article en En | MEDLINE | ID: mdl-38818081
ABSTRACT
Developing advanced electrolytes has been regarded as a pivotal strategy for enhancing the electrochemical performance of batteries; however, the criteria for electrolyte design remain elusive. In this study, we present an electrolyte design chart reframed through intermolecular interactions. By combining systematic nuclear magnetic resonance, Fourier transform infrared measurements, molecular dynamics (MD) simulations, and machine-learning-assisted classifications, we establish semiquantitative correlations between electrolyte components and the electrochemical reversibility of electrolytes. We propose the equivalent increment of Li salt resulting from functional cosolvent and solvent-solvent interactions for effective electrolyte design and prediction. The controllable regulation of the electrolyte design chart by the properties of solvent-solvent interactions presents varying equivalent effects of increasing Li salt concentrations in different electrolyte systems. Based on this mechanism, we demonstrate highly reversible and nonflammable phosphate-based electrolytes for graphite||NCM811 full cells. The proposed electrolyte design chart, semiquantitatively determined by intermolecular interactions, provides the necessary experimental foundation and basis for the future rapid screening and prediction of electrolytes using machine-learning methods.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: JACS Au Año: 2024 Tipo del documento: Article País de afiliación: China Pais de publicación: Estados Unidos
Texto completo
Añadir a Mi BVS
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: JACS Au Año: 2024 Tipo del documento: Article País de afiliación: China Pais de publicación: Estados Unidos