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Simulation and Analysis of the Transient Absorption Spectrum of 4-(N,N-Dimethylamino)benzonitrile (DMABN) in Acetonitrile
(American Chemical Society (ACS), 2021-09-22)
4-(N,N-Dimethylamino)benzonitrile (DMABN) is a well-known model compound for dual fluorescence—in sufficiently polar solvents, it exhibits two distinct fluorescence emission bands. The interpretation of its transient ...
Bimetallic nanocatalysts supported on graphitic carbon nitride for sustainable energy development: the shape-structure–activity relation
(Royal Society of Chemistry, 2021-01-26)
The catalytic performance of metal nanoparticles (NPs), including activity, selectivity, and durability, depends on their shape and structure at the molecular level. Consequently, metal NPs of different size and shape, ...
Neutral Chiral Tetrakis-Iodo-Triazole Halogen-Bond Donor for Chiral Recognition and Enantioselective Catalysis
(Wiley-VCH GmbH, 2020-11-19)
Halogen bonding represents a powerful tool in the field of noncovalent interactions. However, applications in enantioselective recognition and catalysis remain almost nonexistent, due in part to the distinct features of ...
Interpretation of Resistance, Capacitance, Defect Density, and Activation Energy Levels in Single-Crystalline MAPbI3
(American Chemical Society, 2020)
Hybrid inorganic–organic lead halide perovskites have attracted a significant research interest in the last 10 years due to their broad-area applications in optoelectronic devices such as solar cells, lasers, photodetectors, ...
Elimination of fast variables in stochastic nonlinear kinetics
(2020-08-21)
A reduced chemical scheme involving a small number of variables is often sufficient to account for the deterministic evolution of the concentration of the main species contributing to a reaction. However, its predictions ...
Scaling of submicrometric Turing patterns in concentrated growing systems
(American Physical Society, 2018-09-18)
The wavelength of a periodic spatial structure of Turing type is an intrinsic property of the considered reaction-diffusion dynamics and we address the question of its control at the microscopic scale for given dynamical ...
Stochastic approach to Fisher and Kolmogorov, Petrovskii, and Piskunov wave fronts for species with different diffusivities in dilute and concentrated solutions
(2020-11-15)
A wave front of Fisher and Kolmogorov, Petrovskii, and Piskunov type involving two species A and B with different diffusion coefficients and is studied using a master equation approach in dilute and concentrated solutions. ...
The FKPP wave front as a sensor of perturbed diffusion in concentrated systems
(American Physical Society, 2019-02-11)
The sensitivity to perturbations of the Fisher and Kolmogorov, Petrovskii, Piskunov front is used to find a quantity revealing perturbations of diffusion in a concentrated solution of two chemical species with different ...
Assembly of Helical Structures in Systems with Competing Interactions under Cylindrical Confinement
(American Chemical Society, 2019)
The behavior under confinement of nanoparticles interacting with the short-range attraction and long-range repulsion potential is studied by means of Monte Carlo simulations in the grand canonical ensemble. The study is ...
Engineering of Perovskite Materials Based on Formamidinium and Cesium Hybridization for High-Efficiency Solar Cells
(American Chemical Society, 2019)
Engineering the chemical composition of inorganic–organic hybrid perovskite materials is an effective strategy to boost the performance and operational stability of perovskite solar cells (PSCs). Among the diverse family ...