The performance and key electronic properties of molecular organic semiconductors are
dictated by the interplay between the chemistry of the molecular core and the intermolecular …

In this Feature Article, we summarize the synthetic progress of hetero [8] circulenes, focusing
on their structures and intrinsic properties. Various hetero [8] circulenes have been …

A density functional theory study (DFT) on the geometry, electronic structure and properties
of a series of [Cu (phen) 2] n+ complexes (n= 1 and 2, and phen= differently substituted …

In the present work, we studied the synergetic effect of benzoannelation and NH/O-
substitution for enhancing the absorption intensity in a series of novel designed …

We developed the diversity-oriented approach for the synthesis of tetrathia [8] circulenes
with a variety of peripheral substituents. Iridium-catalyzed direct C–H borylation of …

The electronic structure and charge transport properties of thieno [2, 3-b] benzothiophene
(TBT) and its eight derivatives are investigated via density functional theory (DFT). The …

2, 2′-Bithiazolothienyl-4, 4′, 10, 10′-tetracarboxydiimide (DTzTI), a novel imide-
functionalized thiazole, is envisioned as a candidate for an excellent building block for …

Hetero [8] circulenes have been shown to be potential charge transport materials in the field-
effect devices. In particular, the hole mobility of the octathia [8] circulene thin-film can reach …

H-Aggregates featuring tight π-stacks of the conjugated heterocyclic cores represent ideal
morphologies for 1D organic semiconductors. Such nanofibrils have larger electronic …

We have investigated the structures, electronic properties, hole and electron mobilities of
perfluorinated, perchlorinated and percyanated coronene molecules, using the density …