| Abstrakt: |
Nowadays, substantial progress has been achieved in developing advanced solar cell materials, including high-performance two-dimensional (2D) materials like chalcogenides, perovskites, and oxides, along with their van der Waals (vdW) heterostructures. These efforts target enhanced photovoltaic efficiency, cost reduction, and reduced environmental impact. Despite this, challenges remain in improving light absorption, carrier mobility, and power conversion efficiency (PCE), highlighting the need for materials with enhanced optoelectronic properties. Here, we build a 2D MoSi2As4/MoGe2N4 vdW heterostructure with a 3.39 Å layer spacing, featuring an indirect band gap of 1.14 eV and type-II band alignment. Computational assessments demonstrate that photo-generated electrons efficiently transfer from the MoSi2As4 to the MoGe2N4 layer, while holes move in the opposite direction, reducing electron-hole recombination. The heterostructure exhibits excellent stability and optical absorption, with absorption coefficients up to 105 cm-1 across an extensive spectral range from visible to ultraviolet light. Furthermore, it also showcases an impressive electron mobility of 9065 cm² V-1 s-1 and a minimal conduction band offset of 0.05 eV, both of which contribute to an enhanced PCE, reaching up to 22.09%. These results position the MoSi2As4/MoGe2N4 heterostructure as a promising candidate for solar cell applications due to its superior optoelectronic properties. [ABSTRACT FROM AUTHOR] |
