Ultrathin two-dimensional nanosheets of layered transition metal dichalcogenides (TMDCs) are the fascinating materials for several applications in electronics, opto-electronics, spintronics, sensing, catalysis, energy storage and conversion, to name a few. The fields have witnessed huge attention world-wide in recent years. In spite of advancement of the 2D materials, there is a lack of proper chemical functionalization. Therefore, apposite functionalization of TMDCs to tune electronic charge and spin properties beyond current systems is extremely crucial. Herein, we propose chemical functionalization of 2D-TMDCs by optical and electroactive functional terpyridyl (tpy) complexes. The functional terpyridyl complexes offer numerous advantages including (i) much more robustness due to strong metal-to-ligand back bonding through [dπ(M)-pπ(L)] as compared to the organic ligands, (ii) versatile coordination modes, (iii) tunable, and reversible redox properties, and (iv) switchable metal-to-ligand charge-transfer (MLCT) band in the visible region. Through this functionalization we will be able to:
I-Modify 2D materials properties at different level depending on: (i) The strength of the new interaction between complex and 2D crystal, from soft modification by electrostatic interaction to strong modification by covalent one; and (ii) the degree of functionalization, from low coverage of the 2D crystal to highly packed coverage giving rise to self-assembled monolayers (SAMs) formation.
II-Tuning of the 2D crystals properties through the effect of light on the opto-electroactive complexes attached on them. The contribution from light-driven action to the electronic and magnetic properties will be deeply studied by the implementation of functionalized 2D-TMDCs into solid state devices, exploring their potential as logic gates and circuits or spintronic devices.