Molybdenum phosphide as a novel and stable catalyst for dry reforming of methane

Yao, Zhiwei; Luan, Fubing; Sun, Yunjuan; Jiang, Baojiang; Song, Jia; Wang, Haiyan

doi:10.1039/c6cy00836d

Cited by 38 publications

(21 citation statements)

References 39 publications

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“…19 Strong CO adsorption on MoP (001) was also reported by Liu et al, 20 in their theoretical study. In another recent theoretical study, the CO saturation coverage on Mo-terminated MoP (001) was reported to be 1 ML with CO desorption occurring above 500 K. 21 Also experimental investigations, conducted by Yao et al, 22 found MoP to be active toward CO 2 reforming of methane with better activity and stability compared to Ni/ Mo 2 C. 22 Additionally, strong oxygen to phosphorus interaction on nickel phosphide Ni 2 P (001) catalyst has been shown to facilitate the direct water gas shift reaction. 11 Another interesting feature of TMPs is attributed to its hydrotreating abilities which favor easier H 2 dissociation on catalyst surface.…”

Section: Introductionmentioning

confidence: 96%

“…In another recent theoretical study, the CO saturation coverage on Mo-terminated MoP (001) was reported to be 1 ML with CO desorption occurring above 500 K . Also experimental investigations, conducted by Yao et al, found MoP to be active toward CO 2 reforming of methane with better activity and stability compared to Ni/Mo 2 C . Additionally, strong oxygen to phosphorus interaction on nickel phosphide Ni 2 P (001) catalyst has been shown to facilitate the direct water gas shift reaction .…”

Section: Introductionmentioning

confidence: 97%

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Mechanistic Insights into Selective CO₂ Conversion via RWGS on Transition Metal Phosphides: A DFT Study

Guharoy

Reina

et al. 2019

J. Phys. Chem. C

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Selective conversion of CO 2 to CO via the reverse water gas shift (RWGS) reaction is an attractive CO 2 conversion process, which may be integrated with many industrial catalytic processes such as Fischer−Tropsch synthesis to generate added value products. The development of active and cost friendly catalysts is of paramount importance. Among the available catalyst materials, transition metal phosphides (TMPs) such as MoP and Ni 2 P have remained unexplored in the context of the RWGS reaction. In the present work, we have employed density functional theory (DFT) to first investigate the stability and geometries of selected RWGS intermediates on the MoP (0001) surface, in comparison to the Ni 2 P (0001) surface. Higher adsorption energies and Bader charges are observed on MoP (0001), indicating better stability of intermediates on the MoP (0001) surface. Furthermore, mechanistic investigation using potential energy surface (PES) profiles showcased that both MoP and Ni 2 P were active toward RWGS reaction with the direct path (CO 2 * → CO* + O*) favorable on MoP (0001), whereas the COOH-mediated path (CO 2 * + H* → COOH*) favors Ni 2 P (0001) for product (CO and H 2 O) gas generation. Additionally, PES profiles of initial steps to CO activation revealed that direct CO decomposition to C* and O* is favored only on MoP (0001), while H-assisted CO activation is more favorable on Ni 2 P (0001) but could also occur on MoP (0001). Furthermore, our DFT calculations also ascertained the possibility of methane formation on Ni 2 P (0001) during the RWGS process, while MoP (0001) remained more selective toward CO generation.

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Section: Introductionmentioning

confidence: 96%

Section: Introductionmentioning

confidence: 97%

Mechanistic Insights into Selective CO₂ Conversion via RWGS on Transition Metal Phosphides: A DFT Study

Guharoy

Reina

et al. 2019

J. Phys. Chem. C

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“…For examples, MoP catalyst prepared by adding citric acid contained high surface area and delivered higher activity for hydrodeoxygenation of 4-methylphenol compared with MoP without citric acid added. [19] Yao et al [20] reported that MoP exhibited high activity and stability for dry reforming of CH 4 with CO 2 . However, so far, there was no literature for MoP-based catalysts applied in CO methanation reaction.…”

Section: Other Informationmentioning

confidence: 99%

MoP/Al₂O₃ as a novel catalyst for sulfur‐resistant methanation

Wang

Zhao

Dajun

et al. 2018

Applied Organom Chemis

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We reported γ‐alumina supported molybdenum phosphide (MoP) catalysts as a novel catalyst for sulfur‐resistant methanation reaction. The precursors of the catalyst were prepared by impregnation method and the effect of reduction temperatures (550 °C, 600 °C, 650 °C) of the precursors for sulfur‐resistant methanation was examined. The results indicated catalyst obtained by lower reduction temperature delivered better sulfur‐resistant methanation performance. Meanwhile, the influence of H2/CO ratios and H2S content was also investigated. The results indicated that high H2/CO ratio and low H2S content was favorable for methanation of MoP catalysts. The catalysts were characterized by N2 adsorption–desorption, XRD, XPS and TEM. The results confirmed that the MoP phase was formed on all the catalysts and the physicochemical properties of the samples influenced the performance for sulfur‐resistant methanation.

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“…Unsupported molybdenum carbides are generally covered by carbon, and the obtained surface areas of around 30 m 2 /g [ 9 ] are not optimal for catalysis. Alternatively, some organic precursors have been employed; however, the active phase generally remains covered with carbon from the precursor [ 10 , 11 , 12 ].…”

Section: Introductionmentioning

confidence: 99%

Effect of the Carbon Support and Conditions on the Carbothermal Synthesis of Cu-Molybdenum Carbide and Its Application on CO2 Hydrogenation to Methanol

et al. 2022

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The synthesis of methanol by carbon dioxide hydrogenation has been studied using copper-molybdenum carbides supported on high surface area graphite, reduced graphene oxide and carbon nanotubes. The synthesis conditions and the effect of the support were studied. The catalysts were prepared in situ using H2 or He at 600 °C or 700 °C. Both molybdenum carbide and oxycarbide were obtained. A support with less reactive carbon resulted in lower proportion of carbide obtained. The best results were achieved over a 5 wt.% Cu and 10 wt.% Mo on high surface area graphite that reached 96.3% selectivity to methanol.

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Molybdenum phosphide as a novel and stable catalyst for dry reforming of methane

Abstract: A novel MoP catalyst exhibited high coking and oxidation resistance for dry reforming of CH4with CO2.

Cited by 38 publications

References 39 publications

Mechanistic Insights into Selective CO₂ Conversion via RWGS on Transition Metal Phosphides: A DFT Study

Mechanistic Insights into Selective CO₂ Conversion via RWGS on Transition Metal Phosphides: A DFT Study

MoP/Al₂O₃ as a novel catalyst for sulfur‐resistant methanation

Effect of the Carbon Support and Conditions on the Carbothermal Synthesis of Cu-Molybdenum Carbide and Its Application on CO2 Hydrogenation to Methanol

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Molybdenum phosphide as a novel and stable catalyst for dry reforming of methane

Abstract: A novel MoP catalyst exhibited high coking and oxidation resistance for dry reforming of CH4with CO2.

Cited by 38 publications

References 39 publications

Mechanistic Insights into Selective CO2 Conversion via RWGS on Transition Metal Phosphides: A DFT Study

Mechanistic Insights into Selective CO2 Conversion via RWGS on Transition Metal Phosphides: A DFT Study

MoP/Al2O3 as a novel catalyst for sulfur‐resistant methanation

Effect of the Carbon Support and Conditions on the Carbothermal Synthesis of Cu-Molybdenum Carbide and Its Application on CO2 Hydrogenation to Methanol

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Mechanistic Insights into Selective CO₂ Conversion via RWGS on Transition Metal Phosphides: A DFT Study

Mechanistic Insights into Selective CO₂ Conversion via RWGS on Transition Metal Phosphides: A DFT Study

MoP/Al₂O₃ as a novel catalyst for sulfur‐resistant methanation