Dr. Alfredo Tlahuice Flores

 

Chiral Nanotubes of black phosphorus

Alfredo Tlahuice Flores1

1Facultad de Ciencias Físico Matemáticas, Universidad Autónoma de Nuevo León, Nuevo León, México

tlahuicef@gmail.com

 

Up to now, the study of phosphorus had been devoted to 2D structures (phosphorene) and to the study of phosporene Nanotubes. In this talk I will deliver an update of our work related to the study of chiral black phosphorus nanotubes. The study of their structure, bonding and electronic (band structure) properties has been carried out based on a periodic plane wave-pseudopotential approach. Chiral phosphorene nanotubes are determined as candidates to be sinthesized given the calculated binding energy, thermal and dynamic stability. Morover, it was found that the bandgap is tuned by varying the chirality of the phosphorus nanotube and it is not related to their diameters. The ultimate goal is to engineer the bandgap to facilitate its applications

 

Figure- Bonding displayed by (10,5) black phosphorus nanotube. Colors are used to distinguish between type  of bonds.