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1.
J Comput Chem ; 45(17): 1505-1514, 2024 Jun 30.
Artigo em Inglês | MEDLINE | ID: mdl-38485218

RESUMO

The three-body recombination reaction, or ternary association, is a termolecular reaction leading to a molecule after a three-body encounter that plays a vital role in many relevant scenarios in chemical physics. Here, we introduce the Python 3-Body Recombination program, which is dedicated to the computation of atomic three-body recombination rate coefficients. The software is based on a classical trajectory approach in hyperspherical coordinates after mapping the three-body problem as a single particle in a higher-dimensional space. This theoretical approach is fully general and applicable to any ion-atom-atom or atom-atom-atom three-body process. The predictive power of the methodology has been tested in several different experimental scenarios, reaching a good description of every system. The code structure is presented alongside examples and tests to ensure the software's capacity. In addition, the performance of the software after parallelization is shown.

2.
Nano Lett ; 18(10): 6455-6460, 2018 10 10.
Artigo em Inglês | MEDLINE | ID: mdl-30160968

RESUMO

Strong light-matter coupling results in the formation of half-light half-matter quasiparticles that take on the desirable properties of both systems such as small mass and large interactions. Controlling this coupling strength in real-time is highly desirable due to the large change in optical properties such as reflectivity that can be induced in strongly coupled systems. Here we demonstrate modulation of strong exciton-photon coupling in a monolayer WS2 through electric field induced gating at room temperature. The device consists of a WS2 field effect transistor embedded inside a microcavity structure which transitions from strong to weak coupling when the monolayer WS2 becomes more n-type under gating. This transition occurs due to the reduction in oscillator strength of the excitons arising from decreased Coulomb interaction in the presence of electrostatically induced free carriers. The possibility to electrically modulate a solid state system at room temperature from strong to weak coupling is highly desirable for realizing low energy optoelectronic switches and modulators operating both in quantum and classical regimes.

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