Boron-Based Layered Structures for Energy Storage
Based on Density Functional Theory simulations, we have studied the boron-based graphite-like materials, i.e., LiBC and MgB2 for energy storage. First, when half of the Li-ions in the LiBC are removed, the BC layered structure is still preserved. The Li intercalation potential (equilibrium lithium-insertion voltage of 2.3-2.4 V relative to lithium metal) is significantly higher than that in graphite, allowing Li0.5BC to function as a cathode material. The reversible electrochemical reaction, LiBC = Li0.5BC + 0.5Li, enables a specific energy density of 1088 Wh/kg and a volumetric energy density of 2463 Wh/L. Second, 75% of the Mg ions in MgB2 can be removed and reversibly inserted with the layered boron structures being preserved through an in-plane topological transformation between the hexagonal lattice domains and triangular domains. The mechanism of such a charge-driven transformation originates from the versatile valence state of boron in its planar form.
- Research Organization:
- National Renewable Energy Lab. (NREL), Golden, CO (United States)
- Sponsoring Organization:
- USDOE Office of Science, Basic Energy Sciences
- DOE Contract Number:
- AC36-08GO28308
- OSTI ID:
- 1087214
- Resource Relation:
- Conference: American Chemical Society. Abstracts of Papers of the 244th ACS National Meeting, 19-23 August 2012, Philadelphia, Pennsylvania; Related Information: Abstract No. ENFL-567
- Country of Publication:
- United States
- Language:
- English
Similar Records
Rechargeable Aqueous Zn2+-Battery with High Power Density and Long Cycle-life
Lithium ions in the van der Waals gap of Bi{sub 2}Se{sub 3} single crystals