Is catenation beneficial for hydrogen storage in metal-organic frameworks?
Grand canonical Monte Carlo (GCMC) simulations demonstrate that catenation can be beneficial for improving hydrogen storage in metal-organic frameworks at cryogenic temperatures and low pressures but not necessarily at room temperature.
Ryan
Patrick
P
Department of Chemical and Biological Engineering, Northwestern University, Evanston, Illinois, 60208, USA.
Broadbelt
Linda J
LJ
Snurr
Randall Q
RQ