In this review, we give a brief account on the recent scanning tunneling microscopy
investigation of interfacial structures and properties of π-conjugated semiconducting …

Non-AIE-type molecular photosensitizers (PSs) suffer from the aggregation-caused-
quenching (ACQ) effect in an aqueous medium due to the strong hydrophobic and π–π …

Using classical molecular dynamics simulations and quantum chemical calculations, the
structure and charge-transfer parameters in crystalline poly (3-hexylthiophene)(P3HT) are …

We present the results of a thorough molecular modeling study of several alkylthiophene-
based oligomers and polymers. In particular, we consider two polymers whose limit-ordered …

Molecular orientation is crucial for improving the efficiency of organic electronic devices. In
many ordered materials, orientation is achieved by directional crystallization on a substrate …

It has been a long-term goal to understand the molecular orientation in films of conjugated
polymers, which is crucial to their efficient exploitation. Here, we show that the surface …

This review highlights recent advances achieved by different groups with various molecular
simulation approaches for the prediction and fine‐tuning of the supramolecular organization …

Spectroscopic, electrochemical, and structural properties of 2, 6-dialkoxy-9, 10-
anthraquinones (Anth-OC n, n= 4, 6, 8, 10, and 12) of increasing alkoxy substituents length …

We report on the microstructure, morphology, and growth of 5, 5′-bis (naphth-2-yl)-2, 2′-
bithiophene (NaT2) thin films deposited on graphene, characterized by grazing incidence X …

Diketopyrrolopyrrole (DPP) derivatives are promising compounds for application in organic
electronics. Here, we investigate several symmetrical N‐unsubstituted and N‐methyl …