Liang Shi, University of California, Merced
Disorder is ubiquitous in condensed-phase systems, and its existence may be favored or disfavored depending on the applications. In this talk, I will discuss two cases where molecular disorder plays important roles. In the first case, proton disorder in ice gives rise to the lack of cross peaks in the OH-stretch two-dimensional infrared spectra for ice, which are anticipated to exist due to the substantial resonant vibrational energy transfer in ice. In the second case, our simulation benchmarked against experiment suggests that a moderate amount of energetic disorder in organic donor-acceptor blends may facilitate the dissociation of the interfacial charge-transfer exciton, potentially leading to a higher charge-generation efficiency.