TY - JOUR T1 - Nitrogenated Carbon Nanotubes Functionalized with Chlorine and Oxygen: Electronic and magnetic properties for electronic/magnetic device applications AU - Ray, Sekhar Chandra Y1 - 2018/12/28 PY - 2018 DA - 2018/12/28 N1 - doi: 10.31716/frt.201801006 DO - 10.31716/frt.201801006 T2 - Frontier Research Today JF - Frontier Research Today JO - Front. Res. Today. SP - 1006 VL - 2 C7 - 1006 PB - Frontier Research Today S.A. SN - N2 - The electronic properties, bonding structure and magnetic behaviours of oxygen- and chlorine-treated nitrogenated carbon nanotubes (N-CNTs) were studied using x-ray absorption near-edge structure (XANES), scanning photoelectron microscopy (SPEM) and PPMS measurements. The C and N K-edge XANES spectra of chlorine-treated N-CNTs consistently reveal the formation of pyridinelike N-CNTs by the observation of 1s→π*(e2u) antibonding and 1s→π*(b2g) bonding states. Features in the C K-edge XANES spectra are shifted by ~0.3 eV toward higher energies and by ~1.1 eV toward lower energies relatively to those of the more symmetrical pyridinelike and graphitelike structured N-CNTs upon chlorination and oxidation, respectively. Increases in N K-edge XANES intensities for both chlorination and oxidation reveal substitution of C–C bonds by C–N bonds consistent with the observed valence-band photoemission spectra of the decrease of the C 2s bond and the increase of the N 2s bond. The valence-band photoemission spectra obtained from SPEM images indicate that chlorination of the nanotubes enhances the C–N bonding. First-principles calculations of the partial densities of states in conjunction with C K-edge XANES data identify the presence of C–Cl bonding in chlorine treated N-CNTs. In the electron field emission of chlorination (N-CNT:Cl) and oxidation (N-CNT:O) of N-CNT shows a high current density (J) of 15.0 mA/cm2 has been achieved on chlorination, whereas low J of 0.0052 mA/cm2 is observed on oxidation compared to J = 1.3 mA/cm2 for untreated N-CNT at an applied electric field EA of ~1.9 V/mm. The turn-on electric field (ETO) was ~0.875 and 1.25 V/mm was achieved for N-CNT:Cl and N-CNT:O, respectively, with respect to ETO = 1.0 V/mm for untreated one. The magnetic behavioural changes occurs when N-CNTs are functionalized with Cl and O respectively. M3 - doi: 10.31716/frt.201801006 UR - http://dx.doi.org/10.31716/frt.201801006 ER -