Plasmons in N-doped graphene nanostructures tuned by Au/Ag films: a time-dependent density functional theory study

The energy resonance point of the prominent peak of the absorption spectrum of nitrogen-doped graphene is in the ultraviolet region. This limits its application as a co-catalyst in renewable hydrogen evolution through photocatalytic water splitting in the visible light region. It is well known that noble metal films show active absorption in the visible region due to the existence of the unique feature known as surface plasmon resonance. Here we report tunable plasmons in nitrogen-doped graphene nanostructures using noble metal (Au/Ag) films. The energy resonance point of the prominent peak of the composite nanostructure is altered by changing the separation space of two-layered nanostructures. We found the strength of the absorption spectrum of the composite nanostructure is much stronger than the isolated N-doped graphene monolayer. When the separation space is decreased, the prominent peak of the absorption spectrum is red-shifted to the visible light region. Moreover, currents of several microamperes exist above the surface of the N-doped graphene and Au film composite nanostructure. In addition, the field enhancement exceeds 1000 when an impulse excitation polarized in the armchair-edge direction (X-axis) when the separation space is decreased to 3 Å and is close to 100 when an impulse excitation polarized in the zigzag-edge direction (Y-axis). The N-doped graphene and noble metal film composite nanostructure is a good candidate material as a co-catalyst in renewable hydrogen production by photocatalytic water splitting in the visible light region.