Hydrogen uptake capacity of C2H4Sc and i
β
Nitin Wadnerkar; Vijayanand Kalamse; Ajay Chaudhari
π
Article
π
2010
π
John Wiley and Sons
π
English
β 138 KB
We report the gravimetric hydrogen uptake capacity of C 2 H 4 Sc complex and isoelectronic ions using Density Functional Theory. We predict that C 2 H 4 Sc 1 can bind maximum seven hydrogen molecules in dihydrogen form giving gravimetric uptake capacity of 16.2 wt %, larger by about 2 and 4 wt % tha