Calcium-Decorated Graphene-Based Nanostructures for Hydrogen Storage

Details Calcium-Decorated Graphene-Based Nanostructures for Hydrogen Storage Calcium-Decorated Graphene-Based Nanostructures for Hydrogen Storage

2010-02-08

arxiv.org/abs/1002.1677v1

Physics

Condensed Matter

Materials Science

15 pages, 4 figures. Accepted for publication in Nano Letters

Scientific paper

10.1021/nl902822s

We report a first-principles study of hydrogen storage media consisting of calcium atoms and graphene-based nanostructures. We find that Ca atoms prefer to be individually adsorbed on the zigzag edge of graphene with a Ca-Ca distance of 10 A without clustering of the Ca atoms, and up to six H2 molecules can bind to a Ca atom with a binding energy of ~0.2 eV/H2. A Ca-decorated zigzag graphene nanoribbon (ZGNR) can reach the gravimetric capacity of ~5 wt % hydrogen. We also consider various edge geometries of the graphene for Ca dispersion.

Affiliated with

Also associated with

No associations

Rating

Calcium-Decorated Graphene-Based Nanostructures for Hydrogen Storage does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Calcium-Decorated Graphene-Based Nanostructures for Hydrogen Storage, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Calcium-Decorated Graphene-Based Nanostructures for Hydrogen Storage will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-308941