Engineering high-coordinated cerium single-atom sites on carbon nitride nanosheets for efficient photocatalytic amine oxidation and water splitting into hydrogen

Metal-doped carbon nitride: an all-in-one photocatalyst

“…After a long time of hydrogen production test, the structure of the sample did not change, and the single atom Ce maintained a good dispersion. 99 Wang et al found no significant change in the XPS-fitted peaks of the reacted Ni 2p. 135 Choi et al compared the XPS spectra of Cu 2p and Sn 3d before and after the reaction.…”

Electrocatalytic water oxidation of coral-like porous Zn-CoP nanohybrids synergistically inspired by photothermal and photoelectronic effects

“…64 To accommodate the van der Waals interactions, the Grimme-06 (DFT-D2) method was used for all the DFT calculations. 65 The unrestricted spin is set in all calculations because the Co atom is an open-shell element. 66 The core electrons of the metal atoms were treated using the effective core potentials (ECP), [67][68][69] and the orbital cutoff was 4.5 Å for all atoms.…”

Environmental applications of single-atom catalysts based on graphdiyne

“…The acetylene bond in GDY can regulate the electronic properties of loaded single atoms, thereby improving the catalytic activity. 92,93 In addition, a strong effect exists between single atoms and GDY, leading to their even distribution and preventing their aggregation, which can contribute to the long-term stability of electrocatalytic reactions. For electrocatalyst materials, GDY can effectively improve their catalytic stability with favorable conductivity and capacity, which can be used as an energy storage material in lithium batteries.…”

“…The acetylene bond in GDY can regulate the electronic properties of loaded single atoms, thereby improving the catalytic activity. 92,93 In addition, a strong effect exists between single atoms and GDY, leading to their even distribution and preventing their aggregation, which Fig. 3 (a) Synthesis of 3D GDY using diatomite.…”