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Updated: Feb 5, 2026

Residue-Free Fabrication of van der Waals Heterostructures of Two-Dimensional Materials
Published on: July 18, 2025
High-Throughput Computational Screening of Vertical 2D van der Waals Heterostructures for High-efficiency Excitonic
Jiajun Linghu1,2, Tong Yang2, Yongzheng Luo2
1Department of Applied Physics , Chang'an University , 710064 Xi'an , China.
Abstract:
As an effort to identify van der Waals heterostructures for efficient excitonic solar cell application, high-throughput computational screening was carried out to study the band alignments of 1540 vertical heterostructures formed by 56 two-dimensional semiconducting/insulating materials. More than 90 heterostructures with estimated power conversion efficiency (PCE) higher than 15% have been identified, of which 17 heterostructures are predicted to have PCE higher than the best value (20%) reported or proposed in the literature.
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