Synthetic Approaches to Molecule-2D Transition Metal Dichalcogenide Heterostructures

Abstract

The integration of 2D materials with molecular chemistry to create molecule-2D material heterostructures presents a compelling strategy for advancing material design and applications. This approach provides precise control over the structure and properties of 2D materials, effectively addressing challenges in their production and fabrication. Among these, molecule-2D transition metal dichalcogenide (mTMD) heterostructures have garnered significant attention due to their distinctive electronic, optical, and catalytic properties, as well as the intriguing emergent states and phenomena resulting from interactions with adjacent molecular and material layers. Achieving the desired electronic and optical properties in these heterostructures hinges on carefully controlling the interactions at the molecule/TMD interfaces. This minireview highlights recent progress in mTMD heterostructures, emphasizing the principles underlying interface interactions, molecular arrangement, and innovative synthetic methodologies.

Keywords: Doping; Functionalization; Heterostructures; Janus TMDs; Transition metal dichalcogenides.

Figure 1

Synthetic strategies for covalent functionalization of 2D TMDs using MoS₂ as a model system. For activated 1T‐phase MoS₂: (1) defect engineering with organic thiols, (2) reactions with organohalides, (3) reactions with aryl diazonium salts, and (4) reactions with epoxides. For pristine 2H‐phase MoS₂: (5) reactions with metal acetates, (6) reactions with aryl diazonium salts, (7) click chemistry with maleimides, and (8) reactions with electrophilic trifluoromethylation reagents.

Figure 2

Representative functional molecular components used in the fabrication of mTMD heterostructures. The molecular components integrated into mTMDs serve as a functional layer, allowing for the tuning of the Fermi level, light absorption and emission, and surface properties (such as hydrophobicity and charge density) of 2D TMDs. They also enhance charge injection, improve electrical and mechanical properties, reduce contact resistance, and enable dynamic, remote control of various properties and functions.