Issue 22, 2020

A topological semimetal Li2CrN2 sheet as a promising hydrogen storage material

Abstract

An ideal electrode for electrochemical storage of hydrogen needs to be conductive for electrons. The robust conductivity protected by topology in topological quantum materials just meets this requirement. However, such a study is still lacking so far. Herein, for the first time, we explore the performance of hydrogen storage in a topological quantum material Li2CrN2 sheet, and have found that the interaction between H2 and the sheet is mainly attributed to the polarization mechanism, resulting in a gravimetric capacity of 4.77% that is higher than the value of the Li decorated MoS2 (4.4%), Li-decorated phosphorene (4.4%) and Li substituted BHNH sheet (3.16%). The hydrogen adsorption energy is found to be in the range of 0.16–0.33 eV, which is in the required energy window for balancing the adsorption stability and fast kinetics, and the releasing temperature is in the range of 160–270 K, desirable for practical operations. This study is of significance for fuel cell applications going beyond the conventional materials for hydrogen storage.

Graphical abstract: A topological semimetal Li2CrN2 sheet as a promising hydrogen storage material

Article information

Article type
Paper
Submitted
18 Mar 2020
Accepted
06 May 2020
First published
08 May 2020

Nanoscale, 2020,12, 12106-12113

A topological semimetal Li2CrN2 sheet as a promising hydrogen storage material

L. Ma and Q. Sun, Nanoscale, 2020, 12, 12106 DOI: 10.1039/D0NR02180F

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