Role of surface chemistry to regulate the anodic behaviour, charge transport and reactivity: a computational study

Abstract

Research endeavour towards energy-storage and controlling environmental pollution has drawn the most attention since the advent of science and technology. Technological developments are led by the discovery of materials with exotic properties. Designing material for grid storage as well as transport devices are of utmost interest in recent days, where the e ciency largely relies on the electrodeproperties and charge-storage/transport through systems. To this end, materials science plays a crucial role in modern technology.