New thiophene-based conjugated macrocycles for optoelectronic applications

Abstract

Two thiophene-based macrocycles have been synthesised and their optoelectronics applications have been investigated.

A BODIPY small molecule as hole transporting material for efficient perovskite solar cells

“…Density functional theory (DFT) calculations at the B3LYP/6-311G(d,p) level were carried out in order to better understand the electronic properties of PTZ-PTZ-BDP , and in particular, provide the HOMO and the LUMO energy levels. 70 The optimised structure and the HOMO and LUMO maps are provided in Fig. 4.…”

Triple-Bond Vibrations: Emerging Applications in Energy and Biological Sciences

“…Similar to the stretching vibration of the nitrile moiety, that arising from the carbon–carbon triple bond also finds increased spectroscopic utility in energy science, especially in the study of charge separation processes and/or energy transfer events in solar cells, − two-dimensional (2D) conjugated graphyne and graphdiyne materials, and other compounds . This is because the CC triple bond is commonly used as an electronic conjugation bridge in these molecules, as well as because its stretching vibrational frequency (ν CC ) and the corresponding molar extinction coefficient (ε CC ) are sensitive to electron density distribution across the triple bond.…”

The Synthesis of a Multiple D–A Conjugated Macrocycle and Its Application in Organic Photovoltaic

“…Nevertheless, the charge generation efficiency was not compromised, as evidenced by broadband transient absorption (TA) spectroscopy. As a result, the RCM ‐based OSC achieves a PCE of 14.2 %, which represents the highest PCE among macrocycle‐based devices [31,35–37] . Combining spectroscopic and topographical tools, we investigate reasons for suppressed non‐radiative losses and improved charge generation.…”

“…As a result, the RCM-based OSC achieves a PCE of 14.2 %, which represents the highest PCE among macrocycle-based devices. [31,[35][36][37] Combining spectroscopic and topographical tools, we investigate reasons for suppressed non-radiative losses and improved charge generation. We believe that this work may chart a path to broad design and creation of well-defined functional multiple D-A cyclic conjugation molecules for high-efficient OSCs.…”