Professor Chen’s recent JMCA on Designing Lithium-Sulfur Cathode Materials was highlighted by Nanowerk

04/18/ 2016


In past decades, the lithium-sulfur (Li-S) battery is extensively studied because it plays pivotal roles for the next-generation high-energy rechargeable Li batteries due to its high theoretical capacity and low cost. However, the rapid capacity fading, low Coulombic efficiency, and irreversible loss of active materials have impeded the wide-scale commercial use of Li-S batteries. Trapping the Li2Sx species to host materials (such as nanomaterials) is an effective way to overcome these challenges.


By means of density functional theory computations, in their recent paper (J. Mater. Chem. A, 2016, DOI: 10.1039/C6TA00871B), Professor Zhongfang Chen and his collaborators explored the potential of phosphorene as a host material to anchor Li-S species. Phosphorene is a widely studied 2D material recently due to unique puckered structure, outstanding anisotropic physical and mechanism properties, and wide potential applications for the design of nanodevices. However, its potential as host materials for Li-S battery cathode has not addressed until now.  According to their computations, all Li2Sx species can moderately bind with phosphorene, exhibit ultrahigh diffusivity along the zigzag direction of phosphorene, and enhance the electrical conductivity of phosphorene. Thus, they suggest that phosphorene is a highly promising candidate for high performance Li-S batteries.

Zhongfang ChenThis work is in collaboration with Professor Jingxiang Zhao, a visiting scholar from Harbin Normal University supported by China Scholarship Council, Professor Yongan Yang, Colorado School of Mines, and Professor  Ram S Katiyar, UPR Physics. is a leading website committed to educate, inform and inspire about nanosciences, nanotechnologies and other emerging technologies.

For more details, pls refer to

Phosphorene as a Promising Anchoring Material for Lithium-Sulfur Batteries: A Computational Study

Jingxiang Zhao, Yongan Yang, Ram S Katiyar, Zhongfang Chen*

J. Mater. Chem. A, 2016, DOI: 10.1039/C6TA00871B!divAbstract

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