Transfer of electronic excitation energy between randomly mixed dye molecules in the channels of zeolite L

Article Abstract:

Host-guest materials containing strongly fluorescent donor and acceptor molecules are prepared and the fine-tuning of the donor to the acceptor distance allows beautiful visible and quantitative observation of electronic excitation energy transfer phenomena. The fluorescence decay of the donor and the pumping of the acceptor via energy transfer became faster with increasing loading and the behavior of the system followed requirements expected for Forster energy transfer material.

Chemical properties, Energy transformation

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Simulating the relaxation dynamics of microwave-driven zeolites

Article Abstract:

Equilibrium and nonequilibrium molecular dynamics simulations are performed to study how microwave (MW)-driven zeolites systems relax at thermal equilibrium. These stimulations provide atomistic insights into the relaxation of MW-heated systems, which could determine when to expect MW-heated zeolites to exhibit novel athermal phenomena on microscopic length and time scales.

Simulation methods, Simulation, Thermal properties

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Nonequilibrium molecular dynamics of microwave-driven zeolite-guest systems: loading dependence of athermal effects

Article Abstract:

Molecular dynamics (MD) simulations of zeolite-guest systems driven by microwaves (MW) are performed to study how energy is distributed in these systems as a function of guest loading. It was found that MW-driven MD with the Andersen thermostat gives robust steady states, while MW-driven MD with the Nose-Hoover chain thermostat does not.

Analysis, Usage, Photosynthesis, Nonequilibrium thermodynamics

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