Polaritonic Chemistry: Collective Strong Coupling Implies Strong Local Modification of Chemical Properties.

ABSTRACT: A fundamental question in the field of polaritonic chemistry is whether collective coupling implies local modifications of chemical properties scaling with the ensemble size. Here we demonstrate from first-principles that an impurity present in a collectively coupled chemical ensemble features such locally scaling modifications. In particular, we find the formation of a novel dark state for a nitrogen dimer chain of variable size, whose local chemical properties are altered considerably at the impurity due to its embedding in the collectively coupled environment. Our simulations unify theoretical predictions from quantum optical models (e.g., collective dark states and bright polaritonic branches) with the single molecule quantum chemical perspective, which relies on the (quantized) redist

SUBMITTER: Sidler D 

PROVIDER: S-EPMC7928910 | biostudies-literature | 2021 Jan

REPOSITORIES: biostudies-literature