Atomic-scale characterization of nitrogen-doped graphite: Effects of dopant nitrogen on the local electronic structure of the surrounding carbon atoms

Abstract

We report on the local atomic and electronic structures of a nitrogen-doped graphite surface by scanning tunneling microscopy, scanning tunneling spectroscopy, x-ray photoelectron spectroscopy, and first-principles calculations. The nitrogen-doped graphite was prepared by nitrogen ion bombardment followed by thermal annealing. Two types of nitrogen species were identified at the atomic level: pyridinic-N (N bonded to two C nearest neighbors) and graphitic-N (N bonded to three C nearest neighbors). Distinct electronic states of localized \ensuremath{\pi} states were found to appear in the occupied and unoccupied regions near the Fermi level at the carbon atoms around pyridinic-N and graphitic-N species, respectively. The origin of these states is discussed based on experimental results and theoretical simulations.