2022
DOI: 10.1039/d1ta08599a
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Cobalt single-atom-decorated nickel thiophosphate nanosheets for overall water splitting

Abstract: The formidable challenge in the development of the efficient single-atom catalysts is their accessible fabricate process, unambiguous interactions with matrix, and accelerated kinetics of catalytic mechanism, posing obstacle in maximizing...

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Cited by 23 publications
(19 citation statements)
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“…First-principles calculations are performed through density functional theory (DFT) utilizing the Vienna Ab initio simulation package (VASP) based on the spin-polarized projected augmented wave (PAW) method. 42,43 The electron configurations of Ti, C, O, S and H atom are 3p 6 3d 2 4s 2 , 2s 2 2p 2 , 2s 2 2p 4 , 3s 2 3p 4 and 1s 1 , respectively. The plane-wave cut-off energy is set at 500 eV and a 3 Â 3 Â 1 k-point grid is used.…”
Section: Computational Detailsmentioning
confidence: 99%
See 1 more Smart Citation
“…First-principles calculations are performed through density functional theory (DFT) utilizing the Vienna Ab initio simulation package (VASP) based on the spin-polarized projected augmented wave (PAW) method. 42,43 The electron configurations of Ti, C, O, S and H atom are 3p 6 3d 2 4s 2 , 2s 2 2p 2 , 2s 2 2p 4 , 3s 2 3p 4 and 1s 1 , respectively. The plane-wave cut-off energy is set at 500 eV and a 3 Â 3 Â 1 k-point grid is used.…”
Section: Computational Detailsmentioning
confidence: 99%
“…Photocatalytic water splitting, which converts H 2 O into H 2 with high-energy-density and minimal environmental pollution under solar energy, has been identified as one of the most efficient and sustainable techniques for alleviating energy dilemmas and environmental issues. [1][2][3] In general, the solarto-H 2 conversion efficiency depends on the balance of thermodynamics and kinetics, 4 which can be summarized into three main processes, including (i) semiconductor absorption of photons to generate electrons and holes, (ii) the photogenerated charge carriers separate and transport to the surface of catalysts, and (iii) the photo-generated electrons participate in the surface reduction reactions. 5,6 At present, various novel twodimensional (2D) photocatalysts with efficient charge separation and migration characters, such as BP 7 transition metal-based sulfides, [8][9][10] nitrides, 11,12 carbides, 13,14 and phosphides, 15,16 which tremendously accelerates the development of photocatalytic water splitting areas.…”
Section: Introductionmentioning
confidence: 99%
“…[14][15][16] For example, doping heteroatoms into pure MPS 3 is effective for adjusting the electronic structure of MPS 3 due to the different lattices and electronegativities of doping heteroatoms. [17][18][19][20] Wang and Su et al enhanced the catalytic performance of NiPS 3 by doping C and N to regulate the electrical conductivity and strengthen the adsorption energy of intermediates. 9 Yan group and Jin group both reported that doping metal (Fe, Co or Ni) into pure MPS 3 affects the crystal lattice of MPS 3 and exposes more edge active sites for enhancing the catalytic performance.…”
Section: Introductionmentioning
confidence: 99%
“…Confronted with the gradual exhaustion of fossil fuel and deteriorating environmental pollution, the large-scale development of sustainable energies, such as solar, wind, tidal, and hydrogen energies, has become a matter of urgency. Among these alternative novel energy resources, hydrogen (H 2 ) has gained a lot of attention to meet the growing energy demands owing to its high combustion value, various utilizations of forms, and abundant reserve. Currently, the most effective method to achieve clean hydrogen production is the electrochemical water splitting based on precious metal electrode materials. , Thereinto, metallic platinum has been extensively recognized as the best single metal electrocatalyst toward the hydrogen evolution reaction (HER) process. Nevertheless, the rarity and excessive price of metal Pt have extremely hampered their large-scale commercial utilization. Within this context, promoting the fabrication of electroactive and noble-metal-free catalytic systems toward the HER has been considered a significant topic. …”
Section: Introductionmentioning
confidence: 99%