We present a theory for determining the localized surface plasmon resonance shifts of arbitrarily shaped metal nanoparticles on a substrate. Using a pseudoparticle concept, an expression for the particle-substrate interaction is derived, providing both physical insight and formulas to estimate the shifted plasmon resonance. The theory is verified against measured scattering spectra of nanorods ...

Protein and RNA enzymes that catalyze phosphoryl transfer reactions frequently contain active site metal ions that interact with the nucleophile and leaving group. Mechanistic models generally hinge upon the assumption that the metal ions stabilize negative charge buildup along the reaction coordinate. However, experimental data that test this assumption directly remain difficult to acquire. We...

A new form of nanoporous material, metal intercalated covalent organic framework (MCOF) is proposed and its energy storage property revealed. Employing density functional and thermodynamical analysis, we find that stable, chemically active, porous materials could form by stacking covalent organic framework (COF) layers with metals as a gluing agent. Metal acts as active sites, while its aggrega...

Oxygen vacancies in metal oxides are known to determine their chemistry and physics. The properties of neutral oxygen vacancies in metal oxides of increasing complexity (MgO, CaO, alpha-Al2O3, and ZnO) have been studied using density functional theory. Vacancy formation energies, vacancy-vacancy interaction, and the barriers for vacancy migration are determined and rationalized in terms of the ...

the interaction between some heavy metal ions such as of pb(ii), cd(ii) and cu(ii) ions from aqueous solution adsorbed by single walled carbon nanotube (swcnts) and carboxylate group functionalized single walled carbon nanotube (swcnt-cooh) surfaces were studied by atomic absorption spectroscopy. the effect of contact time, ph, initial concentration of ion, ionic strength and temperature on the...

The computer-based design of PPIs (protein-protein interactions) is a challenging problem because large desolvation and entropic penalties must be overcome by the creation of favourable hydrophobic and polar contacts at the target interface. Indeed, many computationally designed interactions fail to form when tested in the laboratory. In the present article, we highlight strategies our laborato...

In reference [1] a four-dimensional effective theory of gravity embeddable in a five-dimensional ”distorted” Randall-Sundrum brane scenario was derived. The present paper is aimed at the application of such a theory to describe physics in an open Friedmann-Robertson-Walker (Weyl-symmetric) universe. It is shown that regular bouncing universes arise for a given range of the free parameter of the...