Identifying the nature of interaction between LiBH4 and two-dimensional substrates: DFT study with van der Waals correction

Sung Hoon Hwang, Young-Su Lee, Young Whan Cho

Addressing the nature of interaction at the LiBH4-carbon interface is the key to unveiling mechanism for the carbon-facilitated desorption of lithium borohydride (LiBH4). Density f…