Design molecular rectifier and photodetector with all-boron fullerene

“W-X-M” transformations in isomerization of B39− borospherenes

“…[11][12][13][14][15][16][17][18] The first axially chiral borospherenes, C 3 and C 2 B 39 − , were observed in 2015. 19 Recently, three chiral B 41…”

The negative differential resistance mechanism of a molecular device based on double‐cage fluorinated fullerene C20F18(NH)2C20F18: A theoretical study

“…Fullerene molecules and their derivatives are one of the most commonly studied materials in the field of molecular devices . Among the various fullerene derivatives, studies of fluorinated fullerenes have attracted broad attention .…”

Structures, stabilities and spectral properties of metalloborospherenes MB0/−40 (M = Cu, Ag, and Au)

“…The important studies involve the use of C 60 derivatives in biological systems, 41,42 solar cells 43,44 and superconductors. 45 Endofullerenes based on C 60 have attracted much attention due their potential applications in superconductivity and materials science. [46][47][48][49] Similarly, can metalloborospherenes also show new properties?…”

“…Ag and Au have oen been used as electrodes of singlemolecule device, such as the electrical transport properties of single-molecule devices Au-B 40 -Au and Au-Sr@B 40 -Au were studied by using density functional theory and non-equilibrium Green's function method. [58][59][60] It is necessary to investigate the structures and stabilities of metalloborospherenes MB 0/À 40 (M ¼ Ag, Au). On the one hand, it can enrich the research of metalloborospherenes, on the other hand, it also can provide theoretical guidance for borospherene or metalloborospherene molecular devices.…”