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Title: Sulfur immobilization and lithium storage on defective graphene: A first-principles study

Motivated by the recent progresses and remaining technical challenges in Li-S battery, we employ defective graphene as a prototype cathode framework to illustrate how battery performance is influenced by the mesoporous carbon materials. We show that the immobilization of S unavoidably sacrifices its ability to further interact with Li, which leads to an enhanced cycle life but a decreased capacity. Based on our calculated results, we suggest a suitable S binding-energy range of ∼4–5 eV to balance the battery stability and capability under thermodynamic equilibrium conditions. Our results may promote the understanding and architecture design of Li-S battery.
Authors:
; ; ; ;  [1] ;  [2]
  1. State Key Laboratory of Low-Dimensional Quantum Physics and Collaborative Innovation Center of Quantum Matter, Department of Physics, Tsinghua University, Beijing 100084 (China)
  2. National Center for Nanoscience and Technology, Beijing 100190, Peoples Republic of China (China)
Publication Date:
OSTI Identifier:
22280576
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 104; Journal Issue: 4; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; 77 NANOSCIENCE AND NANOTECHNOLOGY; BINDING ENERGY; CAPACITY; CATHODES; DESIGN; GRAPHENE; LITHIUM; LITHIUM-SULFUR BATTERIES; NANOSTRUCTURES; PHASE STABILITY; SULFUR; THERMAL EQUILIBRIUM