Fig. 4: Mode-specific modification of OH relaxation under vibrational strong coupling. | Nature Communications

Fig. 4: Mode-specific modification of OH relaxation under vibrational strong coupling.

From: Theoretical and quantum mechanical deconstruction of vibrational energy transfer pathways modified by collective vibrational strong coupling

Fig. 4

a Number of successful relaxations in \({({{{{\rm{H}}}}}_{2}{{{\rm{O}}}})}_{21}\)-cavity system as a function of light-matter coupling factors g. A successful relaxation is defined that the population of OH stretch can be lower than 0.25 in the time interval of 0–1000 fs. b Scattering plot of the magnitude of dipole moment derivative (dμ/dQ) along x and y axis, f(dμ/dQ) = max(∣dμx/dQ∣, ∣dμy/dQ∣), of various OH stretches in different types of water molecules which cannot relax outside the cavity. Solid cycles indicate OH stretches can relax inside the cavity, while open cycles indicate OH stretches still cannot relax inside the cavity. c Stick distributions of vibrational configuration interaction (VCI) coefficients of OH stretch in monomer 1 under different light-matter coupling strengths. The cavity frequency is set as 3400 cm−1 for (a–c).

Back to article page