Year: 2025
Type: article
Abstract: Electrocatalytic sulfur hosts are crucial for high-performance, lightweight lithium-sulfur (Li-S) batteries, demanding atomically dispersed metals with precisely tuned electronic structures. Here, we present 3d-6p dual-atom catalysts (DACs) composed of earth-abundant Fe-Bi or Zn-Bi pairs anchored on nitrogen-doped carbon. Aberration-corrected scanning transmission electron microscopy and X-ray absorption spectroscopy confirm atomically dispersed bimetallic centers stabilized through TM-N coordination. In Li-S cells, DACs, particularly Fe-Bi, markedly accelerate polysulfide conversion, achieving near-ideal discharge plateau ratios, superior rate capability with >50% capacity retention at 3C, and about 80% retention after 1000 cycles at 1C. Density functional theory indicates that Bi induces strong ligand-field and p-d coupling effects, shifting Fe 3d states toward the Fermi level and polarizing Zn through charge redistribution. This Bi-driven cooperative activation transcends d-electron limitations, offering a general and scalable route to high-rate, durable Li-S electrocatalysts.
Source: Nano Letters
Institutions: Consejo Superior de Investigaciones Científicas, Institut Català de Nanociència i Nanotecnologia, Institut de Recerca en Energia de Catalunya, Barcelona Institute of Science and Technology, Shanghai Maritime University, South China University of Technology, Fuzhou University, ALBA Synchrotron (Spain), University of California, Los Angeles, University of Warwick, Institució Catalana de Recerca i Estudis Avançats
Language: English
Subfield: Electrical and Electronic Engineering
Field: Engineering
Domain: Physical Sciences
Open Access status: hybrid
Estimated APC paid: $4,500
Funders: Ministerio de Ciencia, Innovación y Universidades, Centres de Recerca de Catalunya, European Commission, Generalitat de Catalunya, China Scholarship Council, Universitat Autònoma de Barcelona, Agència de Gestió d'Ajuts Universitaris i de Recerca, European Regional Development Fund, European Social Fund
OpenAlex ID: W4415915183