This review explores different paths to replace traditional HTMs, it discusses recent advancements in conjugated organic-HTMs, organic-SAMs and polymeric-HTMs, aiming to improve the efficiency and stability of lead and tin-based PSCs.
High-level multireference and coupled-cluster wave function theories were used to investigate the energetics, spectroscopic parameters, and spin–orbit coupling effects of highly correlated ThB− and ThB species.
High-level ab initio multireference and coupled-cluster calculations were performed to study a series of low-lying states, spectroscopic properties, and dipole moments of ThBe and AcBe.
Triphenylamine derivatives (TPAs) are known for their semiconducting charge transport and redox properties. We explore computationally the charge transport processes in amorphous and single crystalline phases of four different TPAs.
The rapid progress in the power conversion efficiency of perovskite solar cells, along with the limitations of the benchmark hole-transporting material spiro-OMeTAD has driven the search for alternative hole-transporting materials.