Theoretical approach to energy levels applied to modified surfaces

PENA AUSAR JOAQUIN; PINTO O. A

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

ROYAL SOC CHEMISTRY

Lugar: CAMBRIDGE; Año: 2022 p. 12592 - 12600

1463-9076

The main objective of this work is to present a new theoretical basis to describe the surfacedeposition on a modified surface electrode. The surface is modified by the irreversibledeposition of fixed particles or impurities that can block a fraction of the adsorption sites. Anelectroactive species was allowed to adsorb to the accessible sites and transfer electric charge. Energetics interactions between electroactive particles and impurities were considered. The theoretical approach of energy levels (TAEL) was presented, through the integral equation formalism, where for its formulation the binomial distribution of energy levels and the standard Langmuir isotherm were considered. Adsorption isotherms and the compressibility of the adsorption layer, were compared with Monte Carlo simulation and the recently published Modified Mean Field Approach (MMFA). Various conditions were studied; attractive and repulsive lateral interactions, different quantities of impurities in one and two dimensional lattices. The performance of the theoretical approximations was analyzed by calculating an integral error.