Exploration of Zeolites as High-Performance Electrode Protective Layers for Alkali-Metal Batteries
Source abstract
Abstract
The electrode–electrolyte interfaces play pivotal roles in alkali-metal batteries, necessitating superior electrochemical stability, excellent electrical insulation, and high ionic conductivity. This study proposes using zeolites as interfacial protective layers owing to their inherently high stability with both alkali metals and high-voltage cathodes as well as exceptionally wide band gaps that minimize electron transport. To further pinpoint zeolites with rapid ionic diffusivity among their versatile structures, we devise a universal approach to explore diffusion dynamics in arbitrary structures. Through first-principles calculations, we identify the diffusion networks of Li +, Na +, and K + in 22, 17, and 4 zeolites, respectively. Eventually, we predict 5, 7, and 3 zeolites as suitable interfacial protective layers for Li–, Na–, and K–metal batteries, respectively, each characterized by a diffusion barrier below 0.3 eV. This research automates the exploration of diffusion dynamics in complex materials and underscores the significant potential of zeolites as interfacial protective layers in alkali-metal batteries.
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: Advancements in Battery Materials · Advanced Battery Materials and Technologies · Advanced Battery Technologies Research
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Fujian Science & Technology Innovation Laboratory for Optoelectronic Information of China
Fujian Key Laboratory of Green Extraction and High-Value Utilization of New Energy Metals
Fuzhou University
State Key Laboratory of Structural Chemistry, and Fujian Provincial Key Laboratory of Materials and Techniques toward Hydrogen Energy
Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences
Department of Materials Science and Engineering
Southern University of Science and Technology
Institute of Innovative Materials
Funding
China Postdoctoral Science Foundation · Science, Technology and Innovation Commission of Shenzhen Municipality · Guangdong Provincial Key Laboratory Of Computational Science And Material Design · National Natural Science Foundation of China · Fujian Key Laboratory of Green Extraction and High-value Utilization of New Energy Metals
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