Adsorption mechanisms of Mo2CrC2 MXenes as potential anode materials for metal-ion batteries: A first-principles investigation
Abstract
Two dimensional MXene are attracting increasing interests as electrode materials for metal ion batteries (MIBs) because metal ions can diffuse in a 2D lattice surface. In this work, first-principles calculations were carried out to investigate the adsorption performance of monolayer Mo2CrC2 for Li, Na, and K. The results show strong storage ability for various metal cations. There are three layers of Li, two layers of Na, one layer of K, and...
Paper Details
Title
Adsorption mechanisms of Mo2CrC2 MXenes as potential anode materials for metal-ion batteries: A first-principles investigation
Published Date
May 1, 2020
Journal
Volume
513
Pages
145883 - 145883
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