GROKENE

Grokene v2 is a first-principles reassessment. The material is graphane, graphene with a hydrogen atom on every carbon, with electrons removed from its C–C σ bonds. This is the mechanism behind MgB₂ (39 K), the current ambient-pressure record for conventional superconductors.

The calculations run from DFT through DFPT phonons to Wannier-interpolated electron–phonon coupling (EPW) and isotropic Eliashberg equations. Every quantity is converged on meshes up to 300×300 and cross-checked by two independent solvers. All computed points are dynamically stable.

Falsifiable test. Under about 10¹⁴ holes/cm² (for example by electrolyte gating), the Raman-active E_g mode should soften from about 1100 to about 760 cm⁻¹. If it does not, the mechanism is ruled out.

These are computational predictions that have not been tested experimentally. They are not room temperature. Hole-doped graphane was first proposed by Savini, Ferrari & Giustino (PRL 105, 037002, 2010). This work adds the audit, a fully reproducible recomputation, the doping dependence and the experimental test.

v1 notice. The original Grokene values on arXiv (λ ≈ 3.8, ω_log ≈ 1650 K, Tc ≈ 310 K) are not internally consistent. They were withdrawn after an audit by 486-06 CRITIC, and Section 2 of the v2 paper explains why. v1 on arXiv