XAS study of Ni2P/MCM-41 prepared by hydrogen plasma reduction

Sun, Zhichao; Li, Xiang; Wang, Anjie; Wang, Yao; Chen, Yongying; Hu, Yaozhong

doi:10.1016/j.cattod.2013.01.005

Cited by 10 publications

(5 citation statements)

References 34 publications

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“…As a matter of fact, nickel phosphide micro/nano-material is deemed as an effective catalyst in plenty of reactions, such as hydrodesulfurition, hydrodenitrogenation and photocatalytic degradation reaction in burgeoning field of materials [24][25][26][27]. Besides, it has attracted much attention by virtue of its novel property and extensive potential application [28][29][30].…”

Section: Introductionmentioning

confidence: 99%

Mixed surfactant controlled syntheses of solid Ni2P and yolk–shell Ni12P5 via a hydrothermal route and their photocatalytic properties

Liu

Yang

Tong

2015

Journal of Alloys and Compounds

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Section: Introductionmentioning

confidence: 99%

Mixed surfactant controlled syntheses of solid Ni2P and yolk–shell Ni12P5 via a hydrothermal route and their photocatalytic properties

Liu

Yang

Tong

2015

Journal of Alloys and Compounds

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“…Most of these reduction technologies still require a chemical reducing agent to reduce metal ions into the metallic state. Recently, hydrogen plasmas have been applied for the fabrication of nanometal particles [16]. There exist a plentiful of hydrogen radicals and atoms within hydrogen plasmas, which are excellent reducing agents.…”

Section: Introductionmentioning

confidence: 99%

A simple plasma reduction for synthesis of Au and Pd nanoparticles at room temperature

Wang

Zhu

2015

Chinese Journal of Chemical Engineering

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“…The common surface modification is Ni 2 P self-modification, wherein the active Ni−P−S phase forms over the catalytic surface during the HDS reaction cycle, 11,15,16 as previously stated. Nelson et al 3 used density functional theory (DFT) to investigate the possible structures of the phosphosulfide overlayer on Ni 2 P(001) resulting from the substitution of surface phosphorus by sulfur.…”

Section: Introductionmentioning

confidence: 99%

“…Concerning the physical promotion, the morphology and microstructure of the catalyst are considered. − The chemical promotion is divided into crystal adjustment (promotor inserted into the crystal of the catalyst) and surface adjustment (promotor attached to the surface of the catalyst). The common surface modification is Ni 2 P self-modification, wherein the active Ni–P–S phase forms over the catalytic surface during the HDS reaction cycle, ,, as previously stated. Nelson et al used density functional theory (DFT) to investigate the possible structures of the phosphosulfide overlayer on Ni 2 P(001) resulting from the substitution of surface phosphorus by sulfur.…”

Section: Introductionmentioning

confidence: 99%

Unraveling the Role of Surface Termination in Ni₂P(001) for the Direct Desulfurization Reaction of Dibenzothiophene (DBT): A Density Functional Theory (DFT) and Microkinetic Study

Elmutasim

Alhassan

2021

Ind. Eng. Chem. Res.

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Achieving ultradeep desulfurization of transportation fuels dictates the removal of the last fragments of sulfur present in bulky refractory molecules such as dibenzothiophene (DBT). Improving the hydrodesulfurization (HDS) performance of the next-generation Ni 2 P catalyst is crucial; however, it is still unclear how a DBT direct desulfurization (DDS) reaction proceeds on different surface terminations of this material. This work aims at elucidating the influence of Ni 3 P-, Ni 3 P 2 -, and partially sulfided Ni 3 P 2 (Ni 3 PS)-terminated surfaces of the Ni 2 P(001) crystal on the DDS reaction of DBT using density functional theory (DFT) computations. The scission of the first C−S bond in DBT was found to be kinetically hindered compared to the second C−S bond cleavage over the three surfaces owing to the highly stable structure of adsorbed DBT compared to the C 12 H 9 SH intermediate. Notably, the overall DBT desulfurization process is thermodynamically favorable only on the Ni 3 PS surface, due to the presence of the active phosphosulfide (Ni−P−S) phase. Microkinetic modeling was conducted to probe the reaction orders, apparent activation energy, and rate-controlling steps as a function of temperature. Notably, the ring-opening step of DBT, via the first C−S bond cleavage, is the rate-controlling step on Ni 3 P and Ni 3 PS surfaces, which is rationalized by the high energy barrier of this step. The activation energy of the reaction over the surfaces followed the order Ni 3 P < Ni 3 PS < Ni 3 P 2 . Compared to the bare Ni 3 P 2 surface, the lower activation energy on the Ni 3 PS surface is explained by the destabilization effect of the reaction intermediates on the latter. Thus, the partially sulfided Ni 3 P 2 provides a better model for the DBT desulfurization process than the fresh Ni 3 P 2 surface.

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XAS study of Ni2P/MCM-41 prepared by hydrogen plasma reduction

Cited by 10 publications

References 34 publications

Mixed surfactant controlled syntheses of solid Ni2P and yolk–shell Ni12P5 via a hydrothermal route and their photocatalytic properties

Mixed surfactant controlled syntheses of solid Ni2P and yolk–shell Ni12P5 via a hydrothermal route and their photocatalytic properties

A simple plasma reduction for synthesis of Au and Pd nanoparticles at room temperature

Unraveling the Role of Surface Termination in Ni₂P(001) for the Direct Desulfurization Reaction of Dibenzothiophene (DBT): A Density Functional Theory (DFT) and Microkinetic Study

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XAS study of Ni2P/MCM-41 prepared by hydrogen plasma reduction

Cited by 10 publications

References 34 publications

Mixed surfactant controlled syntheses of solid Ni2P and yolk–shell Ni12P5 via a hydrothermal route and their photocatalytic properties

Mixed surfactant controlled syntheses of solid Ni2P and yolk–shell Ni12P5 via a hydrothermal route and their photocatalytic properties

A simple plasma reduction for synthesis of Au and Pd nanoparticles at room temperature

Unraveling the Role of Surface Termination in Ni2P(001) for the Direct Desulfurization Reaction of Dibenzothiophene (DBT): A Density Functional Theory (DFT) and Microkinetic Study

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Unraveling the Role of Surface Termination in Ni₂P(001) for the Direct Desulfurization Reaction of Dibenzothiophene (DBT): A Density Functional Theory (DFT) and Microkinetic Study