Hydrogenation induced high-temperature superconductivity in two-dimensional W₂C₃

Area of Science:

• Condensed Matter Physics
• Materials Science
• Computational Chemistry

Background:

• Two-dimensional (2D) superconductors are crucial for fundamental research.
• Exploring new 2D materials is essential for advancing superconductivity.
• Tungsten carbide (WC) based materials offer potential for novel electronic properties.

Purpose of the Study:

• To predict and investigate the superconducting properties of a novel 2D material, W2C3.
• To explore the effects of hydrogenation and strain on the electronic and superconducting properties of W2C3.
• To identify a new 2D material with potential for high-temperature superconductivity.

Main Methods:

• First-principles calculations were employed to predict material stability and properties.
• Density of States (DOS) and electron-phonon coupling (EPC) strength were calculated.
• The impact of hydrogenation and compressive strain on critical temperature (Tc) was simulated.

Main Results:

• W2C3 was identified as a stable 2D semimetal with weak electron-phonon coupling (EPC).
• Hydrogenated W2C3 (W2C3H2) exhibits intrinsic metallic properties and enhanced EPC.
• Calculated superconducting critical temperature (Tc) for W2C3H2 is 40.5 K, increasing to 49.1 K under -4% compressive strain.

Conclusions:

• W2C3H2 is a promising 2D material for superconductivity.
• Hydrogenation and compressive strain are effective methods to enhance superconductivity in W2C3H2.
• This study provides a new platform for the development of 2D superconductors.