Quantum mechanical modeling of processes on the surface of a LaMnO3 (001) crystal

Abstract

Solid oxide fuel cells (COE) are of considerable interest in fuel combustion depending on their high efficiency and
environmental friendliness. A fuel cell is an electrochemical cell that directly converts chemical energy into electrical energy. The advantages of this fuel cell group include high efficiency, long-term stability, flexibility in fuel selection, low emissions, and relatively low cost. The paper presents the results of calculating the characteristics of the crystal structures and the electronic structure of the perovskite LaMnO3 .