Lithium atom storage in nanoporous cellulose via surface-induced Li2 breakage
Mathias Boström, Dan Huang, Weihong Yang, Clas Persson, and Bo E. Sernelius
EPL, 104 (2013) 63003 www.epljournal.org
We demonstrate a physical mechanism that enhances a splitting of diatomic Li2 at cellulose surfaces. The origin of this splitting is a possible surface-induced diatomic-excited-state resonance repulsion. The atomic Li is then free to form either physical or chemical bonds with the cellulose surface and even diffuse into the cellulose layer structure. This allows for an enhanced storage capacity of atomic Li in nanoporous cellulose.
Fig. Two examples of diatomic Li2 adsorbed at a (110) cellulose surface. The first example is with atoms a and c both at a distance za = zc from the surface. The second example is with Li atoms a and b situated one outside the other near a cellulose surface.
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