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

Journal Article · Mon Jan 27 00:00:00 EST 2014 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.4862983· OSTI ID:22280576

Zhao, Wen; Chen, Pengcheng; Tang, Peizhe; Wu, Jian; Duan, Wenhui ^[1]; Li, Yuanchang ^[2]

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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)

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.

• OSTI ID: 22280576
• Journal Information: Applied Physics Letters, Vol. 104, Issue 4; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0003-6951
• Country of Publication: United States
• Language: English

Related Subjects

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