Density functional theory study on the boron and phosphorus doping of germanium quantum dots

Abstract

Doping is a crucial way of tuning the properties of semiconductor quantum dots (QDs). The current theoretical work explained the experimental findings on the doping of germanium (Ge) QDs and predicted the properties of doped Ge QDs.

Optoelectronic Properties of Nitrogen-Doped Hexagonal Graphene Quantum Dots: A First-Principles Study

“…To evaluate the stability of the nitrogen-doped GQDs, we define the formation energy ( E f ) as follows: E f = E ( C m ′ H n N ) − E ( C m H n ) − μ N − ( m ′ − m ) μ C where E ( C m H n ) and E ( C m ′ ) H n N are the total electronic energies of pristine and nitrogen-doped GQDs, while μ C and μ N are the chemical potentials of carbon and hydrogen atoms, respectively. The indices m ( m ′) and n ( n ′) are the number of carbon and hydrogen atoms in the GQDs.…”