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Boron based layered electrode materials for metal-ion batteries.
- Source :
- Physical Chemistry Chemical Physics (PCCP); 1/14/2020, Vol. 22 Issue 2, p709-715, 7p
- Publication Year :
- 2020
-
Abstract
- Graphite is the most commonly used electrode material, which is mainly due to two key advantages, i.e., its layered structure acts a perfect framework for the accommodation and migration of ions, and the light atomic mass of carbon is conducive to obtaining a high specific capacity. As a neighbor of carbon in the periodic table, boron is even lighter than carbon, and it can also form various layered structures. Here, we systematically investigate boron-based layered compounds to explore their potential applications as electrode materials by means of first-principle calculations. Among various types of boron compounds, MXB<subscript>4</subscript> (M = Li, Na, Mg; X = Al, Ga) with the YCrB<subscript>4</subscript>-type structure are found to be potentially excellent electrode materials for metal-ion batteries. The adsorption and migration of Li/Na/Mg in MXB<subscript>4</subscript> have been presented, and migration barriers comparable with conventional electrode materials are observed. In particular, Li<subscript>2</subscript>AlB<subscript>4</subscript> and Li<subscript>2</subscript>GaB<subscript>4</subscript> are found to exhibit quite high specific capacities of 754 mA h g<superscript>−1</superscript> and 470 mA h g<superscript>−1</superscript> compared to the theoretical value of graphite (372 mA h g<superscript>−1</superscript>) as well as low average voltages of 0.71 V and 0.79 V, respectively, revealing that they may be good anode materials for Lithium ion batteries. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 14639076
- Volume :
- 22
- Issue :
- 2
- Database :
- Complementary Index
- Journal :
- Physical Chemistry Chemical Physics (PCCP)
- Publication Type :
- Academic Journal
- Accession number :
- 141011079
- Full Text :
- https://doi.org/10.1039/c9cp05318b