Title :
Hydrogen storage in carbon based nanoclusters
Author :
Munkhsaikhan G, G. ; Naranchimeg, D. ; Sarantuya, L. ; Khenmedekh, L. ; Sangaa, D. ; Batdemberel, G.
Author_Institution :
Sch. of Mater.´s Sci., Mongolian Univ. of Sci. & Technol., Ulaanbaatar, Mongolia
Abstract :
We have studied the hydrogenation of small, medium sized carbon based nanoclusters. Density functional theory was used to calculate the energy and atomic forces. The average hydrogen binding energy for a hydrogen binding as an atom is calculated for all clusters.
Keywords :
atomic forces; binding energy; carbon; density functional theory; hydrogen storage; hydrogenation; nanostructured materials; C; atomic force calculation; average hydrogen binding energy; carbon based nanocluster; density functional theory; energy force calculation; hydrogen storage; hydrogenation;
Conference_Titel :
Strategic Technology (IFOST), 2013 8th International Forum on
Print_ISBN :
978-1-4799-0931-5
DOI :
10.1109/IFOST.2013.6616950
