First-principles identification of the origin for higher activity of surface doped carbon nanohorn: Impact on hydrogen storage

Banerjee, P.Thapa, R.Rajkamal, A.Chandrakumar, K. R. S.2020-10-062020-10-062019International Journal of Hydrogen Energy, 2019. Vol. 44: pp. 23196-23209http://hdl.handle.net/123456789/207744352 bytestext/htmlenCarbon nanohornCurvaturepi electron occupancyMetal dopingHydrogen storageMolecular dynamicsFirst-principles identification of the origin for higher activity of surface doped carbon nanohorn: Impact on hydrogen storageArticle