Revisiting the unified principle for single-atom electrocatalysts in the sulfur reduction reaction: from liquid to solid-state electrolytes
Jiadong Shen, Ziwei Liang, Tengteng Gu, Zhaoyu Sun, Yiwen Wu, Xiao‐Qin Liu, Junhao Liu, Junhao Liu, Xiuying Zhang, Jiangwen Liu, Jiangwen Liu, Lei Shen, Min Zhu, Jun Liu, Jun Liu
Abstract
A new descriptor ( λ ) for lithium polysulfides (LPSs) conversion involving d–p coupling on catalyst surfaces. Our model, validated by DFT calculations and machine-learning algorithms, explains LPSs dynamics and improves Li–S battery performance.
Topics & Concepts
SulfurElectrolyteReduction (mathematics)Atom (system on chip)State (computer science)Materials scienceInorganic chemistryChemistryChemical engineeringPhysical chemistryMetallurgyComputer scienceElectrodeEngineeringMathematicsGeometryAlgorithmEmbedded systemAdvanced Battery Materials and TechnologiesAdvanced battery technologies researchAdvanced Thermoelectric Materials and Devices