Mono‐silicon isoelectronic replacement in CAl4: van't hoff/le bel carbon or not?
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.26079
Abstract: In cluster studies, the isoelectronic replacement strategy has been successfully used to introduce new elements into a known structure while maintaining the desired topology. The well‐known penta‐atomic 18 valence electron (ve) species CAl42− and its… read more here.
Keywords: isoelectronic replacement; hoff bel; carbon; van hoff ... See more keywords
Two-Dimensional Anti-Van't Hoff/Le Bel Array AlB6 with High Stability, Unique Motif, Triple Dirac Cones, and Superconductivity.
Sign Up to like & getrecommendations! Published in 2019 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.8b13075
Abstract: We report the discovery of a rule-breaking two-dimensional aluminum boride (AlB6-ptAl-array) nanosheet with a planar tetracoordinate aluminum (ptAl) array in a tetragonal lattice by comprehensive crystal structure search, first-principles calculations, and molecular dynamics simulations. It… read more here.
Keywords: array; hoff bel; two dimensional; anti van ... See more keywords