Abstract
An exact analytical model of charge dynamics for a chain of atoms with asymmetric hopping terms is presented. Analytic and numeric results are shown to give rise to similar dynamics in both the absence and presence of electron interactions. The chain model is further extended to the case of two atoms per cell (a perfect alloy system). This extension is further applied to contact electrification between two different atomic chains and the effect of increasing the magnitude of the contact transfer matrix element is studied.
Many electrochemical devices are based on the fundamental process of ion migration and accumulation on surfaces. Complex interplay of molecular properties of ions and device dimensions control the entire process...
Correction for ‘Resurgence of DSCs with copper electrolyte: a detailed investigation of interfacial charge dynamics with cobalt and iodine based electrolytes’ by Sourava C. Pradhan et al., J. Mater. Chem. A, 2018, 6, 22204–22214, DOI: 10.1039/C8TA06948D.
The emergence of new SARS-CoV-2 variants poses a threat to the human population where it is difficult to assess the severity of a particular variant of the virus. Spike protein and specifically its receptor binding domain (RBD) which makes direct interaction with the ACE2 receptor of the human has shown prominent amino acid substitutions in most of the Variants of Concern. Here, by using all-atom molecular dynamics simulations we compare the interaction of Wild-type RBD/ACE2 receptor complex with that of the latest Omicron variant of the virus. We observed a very interesting diversification of the charge, dynamics and energetics of the protein complex formed upon mutations. These results would help us in understanding the molecular basis of binding of the Omicron variant with that of SARS-CoV-2 Wild-type.
Spin excitations coupled with lattice and charge dynamics in
La2−xSrxCuO4