Two-Dimensional Kagome Lattices Made of Hetero Triangulenes Are Dirac Semimetals or Single-Band Semiconductors

Publikation: Beitrag in FachzeitschriftForschungsartikelBeigetragenBegutachtung

Beitragende

Abstract

Here we discuss, based on first-principles calculations, two-dimensional (2D) kagome lattices composed of polymerized heterotriangulene units, planar molecules with D 3h point group containing a B, C, or N center atom and CH 2 , O, or CO bridges. We explore the design principles for a functional lattice made of 2D polymers, which involves control of π-conjugation and electronic structure of the knots. The former is achieved by the chemical potential of the bridge groups, while the latter is controlled by the heteroatom. The resulting 2D kagome polymers have a characteristic electronic structure with a Dirac band sandwiched by two flat bands and are either Dirac semimetals (C center), or single-band semiconductors - materials with either exclusively electrons (B center) or holes (N center) as charge carriers of very high mobility, reaching values of up to ∼8 × 10 3 cm 2 V -1 s -1 , which is comparable to crystalline silicon.

Details

OriginalspracheEnglisch
Seiten (von - bis)743-747
Seitenumfang5
FachzeitschriftJournal of the American Chemical Society
Jahrgang141
Ausgabenummer2
PublikationsstatusVeröffentlicht - 16 Jan. 2019
Peer-Review-StatusJa

Externe IDs

PubMed 30499300