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The electronic structures and transition properties of three types of triangle MoS₂ clusters, <b>A</b> (Mo edge passivated with two S atoms), <b>B</b> (Mo edge passivated with one S atom), and <b>C</b> (S edge) have been explored using quantum chemistry methods. The highest occupied molecular orbital (HOMO)–lowest unoccupied molecular orbital (LUMO) gap of B and C is larger than that of A, due to the absence of the dangling of edge S atoms. The frontier orbitals (FMOs) of A can be divided into two categories, edge states from S_3<i>p</i> at the edge and hybrid states of Mo_4<i>d</i> and S_3<i>p</i> covering the whole cluster. Due to edge/corner states appearing in the FMOs of triangle MoS₂ clusters, their absorption spectra show unique characteristics along with the edge structure and size.