Three dimensional porous SiC for lithium polysulfide trapping

文献情報

出版日 2017-12-21

DOI 10.1039/C7CP07113B

インパクトファクター 3.676

著者

Fen Li

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要旨

One of the key issues in lithium sulfur batteries is the fast capacity fade induced by the lithium polysulfide (LiPS) migration. Hence, a series of three-dimensional (3D) porous SiC materials with active sp2 Si atoms have been designed for lithium polysulfide entrapping in Li–S batteries. The ZGM-SiC-1 and AGM-SiC-3 have been confirmed to be thermodynamically and dynamically stable from the formation energy and phonon dispersion spectrum, meanwhile showing good mechanical properties. The moderate band gaps suggest fast electron transport during the charge–discharge cycles of the Li–S batteries, especially in ZGM-SiC-1. The 3D porous ZGM-SiC-1 and AGM-SiC-3 display strong affinity to S8 and LiPS with the direct Si–S and Li–C interactions, which are comparable to the case of the N doped carbon host. As compared to the 3D pristine graphene monoliths and two dimensional SiC nanosheet, the entrapping of LiPS in the 3D porous SiC host is much stronger (ca. 2.5 eV to 3.5 eV), which is effective in inhibiting the shutter effect in Li–S batteries. Most interestingly, the extraordinarily strong adsorption of the S8 molecule indicates high sulfur loading in the 3D porous SiC host.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Three dimensional porous SiC for lithium polysulfide trapping

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