Volatile Organic Compounds Detection Using Phthalocyanine Functionalized Mxenes

Abstract

MXenes are novel 2D materials that are widely used in volatile organic newlinecompounds (VOCs) sensing. The surface terminations in MXenes make them newlinesemiconductors and improve their ability to detect VOCs. Even though MXenes have a newlinelot of advantages in VOCs sensing, they deteriorate fast as time passes in the presence newlineof air or water. The creation of an efficient layer that shields MXene from oxidation is an newlineinnovative approach to solve this problem. Also, macromolecules are used to solve this newlineissue. The macromolecule-MXene hybrid system has shown significantly improved newlinestability and gas sensor performance. This thesis deals with the VOCs sensing ability of newlinephthalocyanine functionalized MXenes addressed towards food, and health monitoring newlineapplications. Chapter I discusses the VOCs, their hazardous nature, and their usage as newlinebiomarkers in food and health monitoring. Also, it encloses the literature survey on the newlineVOC adsorption properties of phthalocyanines, MXenes, hybrid systems of newlinephthalocyanines, and hybrid systems of MXenes. Both experimental and computational newlinereports are highlighted in this chapter. Chapter II deals with the experimental and newlinecomputational tools used in the reported research work. Chapter III explores the surface newlinepotential changes during the adsorption of eight different VOCs on metal free (H2Pc) and newlineiron (FePc) phthalocyanines using SKP at room temperature under dark and visible light newlineconditions. Both samples respond well to nonanal in darkness. Particularly FePc responds newlinewell to nonanal. In light conditions, FePc shows an enhanced response towards 1-hexanol. newlineSince nonanal and 1-hexanol are potential markers for the detection of defective coffee newlinebeans and the freshness of gilthead sea bream fishes, novel sensors based on FePc can be newlinedeveloped for food quality monitoring. Chapter IV discusses the adsorption of sixteen newlinedifferent VOCs on H2Pc and FePc through DFT analysis newline