Semiconducting THO-C₃N Monolayers for Ultrahigh Anisotropic Carrier Mobility

Area of Science:

• Materials Science
• Condensed Matter Physics
• Nanotechnology

Background:

• Biphenylene structures show promise for nanoelectronics due to anisotropic charge transport.
• Achieving semiconducting behavior in these materials is difficult due to their intrinsic metallic nature.

Purpose of the Study:

• To develop a strategy for transforming biphenylene-based materials from metallic to semiconducting.
• To explore the potential of these engineered materials in nanoelectronic applications.

Main Methods:

• A site-specific N-doping strategy was employed to modify the electronic properties of biphenylene structures.
• Computational methods were used to investigate the electronic transitions and governing factors.

Main Results:

• The N-doping strategy successfully induced a transition from metallic to Dirac semimetal and finally to semiconductor behavior.
• Optimized materials (THO-C3N-2 and THO-C3N-3) demonstrated high carrier mobilities (>10^3 cm^2 V^-1 s^-1) and significant mobility anisotropy.
• THO-C3N-2 achieved a record electron mobility anisotropy ratio (2061.22) for 2D carbon nitrides.

Conclusions:

• Site-specific N-doping is an effective method for band engineering biphenylene-based materials.
• The developed semiconductors offer potential for directionally tailored nanoelectronic devices.