N-piperidinyl substituted trioxotriangulene as an efficient catalyst for oxygen reduction reaction in fuel cell application—a DFT study

DFT study on a fluorine-functionalized nitrogen- and boron-doped triangulene as an electrocatalyst for the oxygen reduction reaction

“…In addition, due to doping, we expect triangulene to possess the enhanced reactivity necessary for catalytic activity. 43,44,47 The triangulene surface is doped separately with heteroatoms such as nitrogen (N) and boron (B). The doped area acts as the active catalytic site because nitrogen and boron have high electronegativity when compared to carbon.…”

“…In addition, due to doping, we expect triangulene to possess the enhanced reactivity necessary for catalytic activity. 43,44,47…”