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



