The electronic structure and stability of germanium tubes Ge30H12 and Ge33H12

Long Van Duong, Eduard Matito, Miquel Solà, Hadi Behzadi, Mohammad Jafar Momeni, Minh Tho Nguyen
2018 Physical Chemistry, Chemical Physics - PCCP  
To explore the possibility of large cylindrical Ge clusters, we investigated the molecular and electronic structure of the germanium tube Ge30H12, composed of six parallel, planar hexagons using DFT calculations, and Ge33H12 generated from the insertion of Ge atoms at the center of three inner hexagons of Ge30H12.
doi:10.1039/c8cp03737j fatcat:xqd7pmwt7vdvpkovnomdtqy45e