Fig. 6.

ENDOR spectra of 1T-MoS₂. (A) Two-dimensional field-dependent ¹H Davies ENDOR and (B) ²H Mims ENDOR spectra of 1T-MoS₂ generated after reduction by 20 mM dithionite at pH 4 (black lines). The simulated spectra are shown in red. The simulation parameters were as follows: A: A = [–3.4, 4.5, 2.5] MHz, Euler angle = [α, β, γ] = [90°, 115°, 20°]; B: A = [–0.5, 0.7, 0.4] MHz, Euler angle = [α, β, γ] = [90°, 115°, 20°]. (C) Schematic of Mo^V site in relation to proton. The distance of the proton to the Mo^V center was estimated to be ∼3.26 Å and the angle of O−Mo−H was estimated to be ∼115° from the ENDOR simulation. Experimental conditions: microwave frequency, 34 GHz; T = 30 K; Davies ENDOR π/2 width, 32 ns, τ = 400 ns, radio-frequency pulse width, 20 μs; Mims ENDOR π/2 width, 32 ns, τ = 200 ns, radio-frequency pulse width, 40 μs.