2022
DOI: 10.1016/j.apcatb.2022.121470
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Promoting body carriers migration of CdS nanocatalyst by N-doping for improved hydrogen production under simulated sunlight irradiation

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Cited by 75 publications
(16 citation statements)
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“…The first-principles density functional theory (DFT) calculations were performed within the generalized gradient approximation (GGA) based on via Vienna abinitio simulation package (VASP) 61 63 . We constructed FeN/Fe 3 N interface structure, FeN and Fe 3 N surface model with periodicity in the x and y directions and the depth of the vacuum layer is greater than 20 Å in order to prevent self-interactions.…”
Section: Methodsmentioning
confidence: 99%
See 1 more Smart Citation
“…The first-principles density functional theory (DFT) calculations were performed within the generalized gradient approximation (GGA) based on via Vienna abinitio simulation package (VASP) 61 63 . We constructed FeN/Fe 3 N interface structure, FeN and Fe 3 N surface model with periodicity in the x and y directions and the depth of the vacuum layer is greater than 20 Å in order to prevent self-interactions.…”
Section: Methodsmentioning
confidence: 99%
“…The first-principles density functional theory (DFT) calculations were performed within the generalized gradient approximation (GGA) based on via Vienna abinitio simulation package (VASP) [61][62][63] .…”
Section: Theoretical Calculationsmentioning
confidence: 99%
“…Compared with metal doping, non-metallic atoms with high electronegativity can form strong coordination interaction with metal atoms in semiconductor, effectively modulating the band structure and improving the migration behaviour of carriers. Inspired by this, Li et al [93] doped N heteroatoms into the lattice of hexagonal CdS NPs to synthesize the nitrogen-doped CdS nanocatalyst (N-CdS) (figure 9). Due to the synergetic nonmetallic (N) heteroatom-semiconductor (CdS) coordination interaction, the energy barriers of water cracking and hydrogen generation on N-CdS nanocatalyst were dramatically decreased, and the body carriers' migration was significantly accelerated, thereby the highly improved HER activity can be achieved for high-efficient utilization of photo-carriers.…”
Section: Advances In Science and Technology To Meet Challengesmentioning
confidence: 99%
“…This was because of the restrained recombination behavior of the photoexcited carriers. 50 Therefore, the promoted separation and prolonged retention time of the photoexcited carriers were the internal driving force for improving the photocatalytic activity of the 3SCN composites. In addition, all relevant analyses of transient photocurrent response and EIS directly certified the remarkable photo-electrochemical abilities over the 3SCN composites.…”
Section: Optical and Electronic Propertiesmentioning
confidence: 99%