Peierls Distortion and Electronic Property Modulation in 2D Metal Chalcogenides via Ternary Alloying of TiS₃ and NbS₃ Nanobelts

Ternary alloying has proven to be an effective method for inducing significant changes in the structural and electronic properties of archetypal 2D metal chalcogenides. In this study, monoclinic TiS 3 and triclinic NbS 3 were alloyed with Nb (in TiS 3 ) and Ti (in NbS 3 ) to form ternary alloys, resulting in spectroscopically detectable structural modifications. This process not only increases the number of majority charge carriers in both TiS 3 and NbS 3 frameworks but also enhances the presence of unpaired d electrons in both compounds. These effects are attributed to the population of the 3d band in TiS 3 and the depopulation of the Peierls-distorted d z 2 orbital in NbS 3 .