Ti12C68: A stable Th-symmetry hollow cage
Sign Up to like & getrecommendations! Published in 2018 at "Scientific Reports"
DOI: 10.1038/s41598-018-22381-y
Abstract: A stable Th-symmetry Ti12C68 cage was systemically investigated using density functional theory. The structure of Ti12C68 is a hollow cage with twelve TiC13 subunit of three pentagons and one hexagon. The calculated frequencies are in… read more here.
Keywords: hollow cage; ti12c68 stable; ti12c68; cage ... See more keywords
Nb12+—niobespherene: a full-metal hollow-cage cluster with superatomic stability and resistance to CO attack
Sign Up to like & getrecommendations! Published in 2022 at "National Science Review"
DOI: 10.1093/nsr/nwac197
Abstract: ABSTRACT Why one chemical is more stable than another is not always easy to understand. A unified answer for metal clusters has led to the establishment of the superatom concept, which rationalizes the delocalization of… read more here.
Keywords: hollow cage; cage cluster; cage; cluster ... See more keywords