A dynamically equivalent atomistic electrochemical paradigm for the larger-scale experiments.

Electrochemical systems possess a considerable part of modern technologies, such as the operation of rechargeable batteries and the fabrication of electronic components, which are explored both experimentally and computationally. The largest gap between the experimental observations and atomic-level simulations is their orders-of-magnitude scale difference. While the largest computationally affordable scale of the atomic-level computations is ∼ns and ∼nm, the smallest reachable scale in the typical experiments, using very high-precision devices, is ∼s and ∼µm. In order to close this gap and correlate the studies in the two scales, we establish an equivalent simulation setup for the given general experiment, which excludes the microstructure effects (i.e., solid-electrolyte interface), using the coarse-grained framework. The developed equivalent paradigm constitutes the adjusted values for the equivalent length scale (i.e., lEQ), diffusivity (i.e., DEQ), and voltage (i.e., VEQ). The time scale for the formation and relaxation of the concentration gradients in the vicinity of the electrode matches for both smaller scale (i.e., atomistic) equivalent simulations and the larger scale (i.e., continuum) experiments and could be utilized for exploring the cluster-level inter-ionic events that occur during the extended time periods. The developed model could offer insights for forecasting experiment dynamics and estimating the transition period to the steady-state regime of operation.

Surface modification of polydimethylsiloxane by the cataractous eye protein isolate.

Polydimethylsiloxane (PDMS), even though widely used in microfluidic applications, its hydrophobic nature restricts its utility in some cases. To address this, PDMS may be used in conjunction with a hydrophilic material. Herein, the PDMS surface is modified by plasma treatment followed by cross-linking with the cataractous eye protein isolate (CEPI). CEPI-PDMS composites are prepared at three pH and the effects of CEPI on the chemical, physical, and electrical properties of PDMS are extensively investigated. The cross-linking between PDMS and the protein are confirmed by FTIR, and the contact angle measurements indicate the improved hydrophilic nature of the composite films as compared to PDMS. Atomic Force Microscopy results demonstrate that the surface roughness is enhanced by the incorporation of the protein and is a function of the pH. The effective elastic modulus of the composites is improved by the incorporation of protein into the PDMS matrix. Measurements of the dielectric properties of these composites indicate that they behave as capacitors at lower frequency range while demonstrating resistive characteristics at higher frequency. These composites provide preliminary ideas in developing flexible devices for potential applications in diverse areas such as energy storage materials, and thermo-elective wireless switching devices.

Mechanistic Underpinnings of Morphology Transition in Electrodeposition under the Application of Pulsatile Potential.

We quantitatively investigate the role of voltage fluctuation in terms of different waveforms on the electrodeposition dynamics and morphology for varying electrolyte concentrations. Dependent on the electrolyte concentration, a wide range of morphologies ranging from highly branched dendrites to comparatively closed packed electrodeposits has been captured. We mechanistically map the deposition dynamics by image analysis and demonstrate the highly porous dendritic dynamics to be independent of external perturbation. Additionally, comparatively closed packed morphological features show significant sensitivity toward the frequency and nature of the waveforms. The results provide fundamental insights into the correlation between the time scales of voltage fluctuation and growth dynamics. We comprehensively analyze the effect of the waveform nature on the average deposition height and show sinusoidal fluctuation to be preferred over square and pulse for metal batteries for lower deposition heights.