Fe3+ doping promoted N2 photofixation ability of honeycombed graphitic carbon nitride: The experimental and density functional theory simulation analysis

Fabrication of an Fe‐Doped SrTiO3 Photocatalyst with Enhanced Dinitrogen Photofixation Performance

“…201 m/z in the LC‐MS spectra of the indophenol derived from the photoreaction system with 15 N 2 atmosphere. This signal intensity is significantly higher than the 14 N/ 15 N naturasl abundance ratio, suggesting that N 2 is the N source of those formed NH 3 molecules in the present photocatalytic N 2 fixation system.…”

“…The above newly appeared broad bands at 1301 cm –1 (σ(O–H)) and 1630 cm –1 (chemisorbed N 2 molecules) for the Fe x Sr 1‐ x TiO 3 ( x = 0.10) after light irradiation suggest that Fe‐doping can promote to the chemisorption of H 2 O and N 2 molecules. It has reported that Fe 3+ doping sites can not only chemisorb but also activate the N 2 molecules by promoting the interfacial electron transfer from g‐C 3 N 4 to N 2 molecules, thus significantly improving the N 2 fixation ability . The strong Fe 3+ EPR signal at g = 1.994 of Fe x Sr 1‐ x TiO 3 ( x = 0.10) obviously decreases after light irradiation (Figure b), suggesting that some surface doped Fe 3+ ions can trap the photogenerated electrons of Fe‐doped SrTiO 3 to generate Fe 2+ ions with no EPR response.…”

“…99 %. For facilitating the LC–MS study, the produced 15 NH 4 + was transferred into 15 N labeled indophenol,, and its corresponding mass spectra are shwon in Figure S6. As seen, a strong 15 N labeled indophenol cation mass spectroscopy signal can be observed at ca.…”

“…In 1977, Schrauzer and Guth firstly reported TiO 2 ‐based materials can photofixate N 2 into ammonia (NH 3 ) under UV irradiation, and Fe doping can enhance the photocatalytic reactivity of rutile TiO 2 . Thereafter, various materials such as metal oxides, bismuth oxyhalides, metal sulfides,, and carbonaceous matters have been used as photocatalysts for N 2 fixation. Although the above researches have made great advances, the NH 3 production activities of most photocatalysts are still unsatisfying because of the difficult adsorption and activation of N 2 molecules on photocatalysts.…”

“…Therefore, it can be hypothesized that the above‐mentioned Fe (in TiO 2 ) or Ni (in SrTiO 3 ) doped sites might also act as another surface defects to play a similar effect on the improvement of N 2 fixation ability. More recently, Fe‐doped graphitic carbon nitride (g‐C 3 N 4 ) was reported to have an outstanding N 2 fixation ability, and the Fe 3+ ions doped at interstitial sites can chemisorb and activate N 2 molecules, then transfer the photogenerated electrons from g‐C 3 N 4 to the adsorbed N 2 molecules . However, there is no investigation on the N 2 fixation performance of Fe‐doped SrTiO 3 to the best of our knowledge.…”