In recent years, the dramatic increase in power conversion efficiency (PCE) coupled with a decrease in the total cost of third-generation solar cells has led to a significant increase in the collaborative research efforts of academic and industrial researchers. Such interdisciplinary studies have afforded novel materials, which in many cases are now ready to be brought to the marketplace. Within this framework, the field of perovskite solar cells (PSCs) is currently an important area of research due to their extraordinary light-harvesting properties. In particular, PSCs prepared via facile synthetic procedures, containing hole transport materials (HTMs) with versatile triphenylamine (TPA) structural cores, amenable to functionalization, have become a focus of intense global research activity. To optimize the efficiency of the solar cells to achieve efficiencies closer to rival silicon-based technology, TPA building blocks must exhibit favourable electrochemical, photophysical, and photochemical properties that can be chemically tuned in a rational manner. Although PSCs based on TPA building blocks exhibit attractive properties such as high-power efficiencies, a reduction in their synthetic costs coupled with higher stabilities and environmental considerations still need to be addressed. Considering the above, a detailed summary of the most promising compounds and current methodologies employed to overcome the remaining challenges in this field is provided. The objective of this review is to provide guidance to readers on exploring new avenues for the discovery of efficient TPA derivatives, to aid in the future development and advancement of TPA-based PSCs for commercial applications.
A comprehensive review of tuneable polypyridine complexes as the emissive components of OLED and LEC devices is presented, with a view to bridging the gap between molecular design and commercialization.
31 October 2017 in Journal of the American Chemical Society
The synthetic route to a new fully conjugated phenanthroline appended phthalocyanine is described. This compound has been fully characterised by elemental analysis, UV–VIS, IR, MS and 1H NMR spectroscopy.
The intramolecular magnetic exchange coupling constants (J) for a series of tetrathiafulvalene (TTF) and verdazyl diradical cations connected by a range of π conjugated linkers have been investigated by means of methodology based on unrestricted density functional theory. The magnetic interaction between radicals is transmitted via π–electron conjugation for all considered compounds. The calculation of J yields strong or medium ferromagnetic coupling interactions (in the range of 56 and 300 K) for diradical cations connected by linkers with an even number of carbon atoms that are able to provide a spin polarization pathway, while antiferromagnetic coupling is predicted when linkers with an odd number of carbon atoms are employed. The topological analysis of spin density distributions have been used to reveal the effects of the spin polarization on both linkers and spin carriers. The absence of heteroatoms that impede the spin polarization pathway, and the existence of a unique spin polarization path instead of several possible competitive routes are factors which contribute to large positive J values favoring ferromagnetic interactions between the two terminal π-radicals. The magnitude of J depends strongly on the planarity of the molecular structure of the diradical cation since a more effective orbital overlap between the two π-systems can be achieved. Hence, the dependence of J on the torsion angle (θ) of each spin carrier has been analyzed. In this respect, our findings show that this geometrical distortion reduces largely the calculated J values for ferromagnetic couplings, leading to weak antiferromagnetic interactions for a torsion angle of 90°.