Grafted zigzag (۱۰,۰) carbo n nanotu be with ph osphora mides

Recently, there has been an increased interest in materials with non-linear optical ( NLO) properties with poten tial applications in the areas of optical computing, telecom munications and signal processing [۱,۲]. Carbon nanotubes are considered potentiall y useful molecules after their functiona lization with various m olecular syst ems to enha nce the non-linear respo nses [۳].

کلیدواژه ها:

DFT cal culations ، Ph osphoramid e ، Carbon nanotube ، Grafting