Year: 2004
Type: article
Abstract: We present ab initio density-functional calculations of molecular solids formed from ${\mathrm{C}}_{28}$-derived closed-shell fullerenes. Solid ${\mathrm{C}}_{28}{\mathrm{H}}_{4}$ is found to bind weakly and exhibits many of the electronic structure features of solid ${\mathrm{C}}_{60}$ with an enhanced electron-phonon interaction potential. We show that chemical doping of this structure is feasible, albeit more restrictive than its ${\mathrm{C}}_{60}$ counterpart, with an estimated superconducting transition temperature exceeding those of the alkali-doped ${\mathrm{C}}_{60}$ solids.
Source: Physical Review B
Language: Latvian
Subfield: Organic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W2010971371