His research utilizes the combination of molecular design and synthesis to create electronic, optoelectronic, and chiroptic materials with useful properties.

It is this dual ability, to imagine and synthesize significant molecular structures and to elucidate, understand, and exploit their properties, that makes this research a leading one in Materials Chemistry, Nanoscience, and Organic Chemistry.

Nuckolls has made significant contributions in four lines of research: (1) Molecular devices from carbon nanotubes; (2) Single molecule electronics; (3) Contorted aromatics as building blocks for high performance organic electronic, optoelectronic, and chiroptic materials; (4) Superatomic building blocks for materials.