An active MoS2 with Pt-doping and sulfur vacancy for strengthen CO2 adsorption and fast Capture: A DFT approach

Du, Yue; Zhao, Shaofen; Tang, Haodong; Zhang, Ni; Xia, Shengjie

doi:10.1016/j.cplett.2022.139784

Cited by 14 publications

(1 citation statement)

References 49 publications

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“…In addition, the introduction of sulfur vacancies could change the electronic structure of adjacent metal atoms due to the different electronegativity, resulting in the adjacent metal active sites losing electrons, which could optimize the adsorption of reaction intermediates . Specifically, the electron delocalization around the sulfur vacancies could generate additional active sites that boost the reaction rate . Therein, the joint modulation of integrating sulfur vacancies and interface engineering to construct bimetallic sulfide is promising for designing highly active catalysts for urea oxidation.…”

Section: Introductionmentioning

confidence: 99%

Regulating Reaction Intermediate Adsorption of Co_0.5NiS₂–Ni₃S₂ Nanorods for Efficient Urea Electrolysis

Jiang,

Zhuo,

et al. 2024

ACS Sustainable Chem. Eng.

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Urea-assisted water electrolysis integrated by a urea oxidation reaction (UOR) and a hydrogen evolution reaction (HER) is an efficient strategy for energy-saving hydrogen production. However, its practical application requires catalysts with sufficient durability and high-strength reactant/product diffusion capability under large current densities. Herein, the Co 0.5 NiS 2 −Ni 3 S 2 coral-like nanorods (Co 0.5 NiS 2 −Ni 3 S 2 /NF) of electronic structure and morphology regulation are rationally constructed. The heterostructure and sulfur vacancies induce interfacial charge redistribution, thus promoting the adsorption of urea and *OH intermediates, accompanied by accelerating the dissociation of H 2 O. Moreover, the hierarchical nanorod structure ensures mass transfer and gas product rapid escape. As a result, Co 0.5 NiS 2 −Ni 3 S 2 /NF only takes 1.45 V and −345 mV to reach large current densities of ±1500 mA cm −2 for the UOR and HER, respectively. Notably, the overall urea electrolysis system needs only 2.00 V to obtain 1500 mA cm −2 , and it can operate stably for 120 h at 500 mA cm −2 . This work illustrates the importance of regulating the adsorption energy of intermediates to design advanced catalysts for energy-efficient H 2 production from urea electrolysis.

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Section: Introductionmentioning

confidence: 99%

Regulating Reaction Intermediate Adsorption of Co_0.5NiS₂–Ni₃S₂ Nanorods for Efficient Urea Electrolysis

Jiang,

Zhuo,

et al. 2024

ACS Sustainable Chem. Eng.

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Insights into CO2 removal mechanism via the carbonaceous surface in the exhaust gas of marine NG engines: A first-principles study

Zhang

et al. 2023

Applied Surface Science

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Two-dimensional Mo3-TiS2 monolayer hosting high moisture resistance and abundant surface-chemisorbed oxygen for effective detection of SF6 decomposition gases: Atomic-scale study

Huang,

Li,

Zeng

et al. 2024

Applied Surface Science

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An active MoS2 with Pt-doping and sulfur vacancy for strengthen CO2 adsorption and fast Capture: A DFT approach

Cited by 14 publications

References 49 publications

Regulating Reaction Intermediate Adsorption of Co_0.5NiS₂–Ni₃S₂ Nanorods for Efficient Urea Electrolysis

Regulating Reaction Intermediate Adsorption of Co_0.5NiS₂–Ni₃S₂ Nanorods for Efficient Urea Electrolysis

Insights into CO2 removal mechanism via the carbonaceous surface in the exhaust gas of marine NG engines: A first-principles study

Two-dimensional Mo3-TiS2 monolayer hosting high moisture resistance and abundant surface-chemisorbed oxygen for effective detection of SF6 decomposition gases: Atomic-scale study

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An active MoS2 with Pt-doping and sulfur vacancy for strengthen CO2 adsorption and fast Capture: A DFT approach

Cited by 14 publications

References 49 publications

Regulating Reaction Intermediate Adsorption of Co0.5NiS2–Ni3S2 Nanorods for Efficient Urea Electrolysis

Regulating Reaction Intermediate Adsorption of Co0.5NiS2–Ni3S2 Nanorods for Efficient Urea Electrolysis

Insights into CO2 removal mechanism via the carbonaceous surface in the exhaust gas of marine NG engines: A first-principles study

Two-dimensional Mo3-TiS2 monolayer hosting high moisture resistance and abundant surface-chemisorbed oxygen for effective detection of SF6 decomposition gases: Atomic-scale study

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Product

Resources

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Regulating Reaction Intermediate Adsorption of Co_0.5NiS₂–Ni₃S₂ Nanorods for Efficient Urea Electrolysis

Regulating Reaction Intermediate Adsorption of Co_0.5NiS₂–Ni₃S₂ Nanorods for Efficient Urea Electrolysis