Presentation Information
[Po103]DFT study on thermodynamic stabilization and improved kinetics in hydrogen-rich LiBH4 through halide substitution and NH3 incorporation.
*Navaratnarajah Kuganathan1, David M Grant1, Martin Dornheim1, Sanliang Ling1 (1. University of Nottingham (UK))
Keywords:
LiBH4,DFT,Halides,Incorporation,Diffusion