Molten salt pyrolysis synthesis of magnetic FeNCN nanorods and their visible-light-driven photocatalytic properties

Synthetic Engineering in Na2MSn2(NCN)6 (M = Mn, Fe, Co, and Ni) Based on Electronic Structure Theory

“…In all instances, the slope of the Tauc plot fitted well with the exponent r = 2, therefore indicating indirect optical band gaps of 3.43, 1.90, and 1.75 eV for the Mn, Fe, and Co analogues, respectively (Figure 7). This band gap reduction in Na 2 MSn 2 (NCN) 6 quaternaries as one traverses the first-row transition metals from Mn to Co mirrors that seen in MNCN binaries both experimentally (MnNCN 3.40 eV 45 and FeNCN 2.0−2.30 eV 46 ) and theoretically from DFT calculations using GGA+U 47 and 48 In case of Na 2 MSn 2 (NCN) 6 , the ICOHP for M−N (see Table 3) is around −1.3 eV (with the exception of Fe), whereas the Sn−N is much stronger (ICOHP ≈ −4 eV), despite a similar bond distance. Under consideration that the number of M−N bonds is half the number of Sn−N bonds (and half the number of the Na−N bonds) per unit cell, it is not surprising that the transition metal does not significantly influence the N electronic states.…”

Electrochemical performance of zinc carbodiimides based porous nanocomposites as supercapacitors

“…4b, C1s spectra can be fitted into two peaks at ca. 284.7 eV and 286.5 eV, which can be ascribed to the C-C bond of adventitious carbon and C-N bonding in the tri-s-triazing ring or the -N-C-N-carbodiimides, respectively [53]. Moreover, no peak appeared at ca.…”

Controlled phase and crystallinity of FeNCN/NC dominating sodium storage performance

“…Meanwhile, the corresponding FTIR bands also show two obvious characteristic peaks at 2059 and 650 cm −1 , belonging to the asymmetric stretching and bending vibrations of the NvCvN groups in FeNCN, respectively. 13 At this stage, there were also some intermediates, including HNCO, H 2 NCN and other organics adsorbed on the surface of the samples. As the reaction time is increased to 1.5 hours at 600 °C, it can be observed from Fig.…”

“…Iron carbodiimide (FeNCN), a kind of metastable metal–organic compound, has begun to attract the research attention due to its good electronic conductivity and the long distance (4.85 Å) of the (002) plane constructed by the alternating Fe 2+ and NCN 2− layers. 11–17 In addition, the theoretical capacity of FeNCN can reach 559 mA h g −1 . 12,16,17 The metastability-induced high activity of FeNCN also promotes good reversibility for the charge/discharge process.…”