来自MSN1 个月
Pristine and Endohedral Doped (O and Se) Ge12C12 and Si12C12 Nanostructures as Anode ...
Relaxed geometry calculations were conducted using Gaussian 16 by employing DFT/B3LYP-GD3(BJ)/6-311 + G(d, p)/GEN/LanL2DZ ... via frontier molecular orbital analysis. Additionally, their ...