Electronic and optical properties of g-C3N4/MoS2 modulated via biaxial strain and external electric field
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资源简介：
DFT calculation data for strained two-dimensional materials under external electric fields.
Data include:
1. Primitive unit cell structure (unstrained, zero electric field)
2. Relaxed structure under 0.2% strain
3. Relaxed structure under 0.2 V/Å electric field
4. Relaxed structure under 0.8% strain + 0.2 V/Å electric field
All calculation parameters and key results are also provided for reproducibility.
These data support the results and figures presented in the manuscript submitted to Computational Materials Science.
提供机构：
Mendeley Data
创建时间：
2026-03-16
