Direct oxidation of methane to methanol on Fe–O modified graphene

Impeng, Sarawoot; Khongpracha, Pipat; Warakulwit, Chompunuch; Jansang, Bavornpon; Sirijaraensre, Jakkapan; Ehara, Masahiro; Limtrakul, Jumras

doi:10.1039/c3ra47826b

Cited by 53 publications

(53 citation statements)

References 62 publications

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“…The activation of adsorbed methane on the FeGP proceeded through the breaking of the C─H bond yielding the CH 3 group and the H atom coordinated on the graphene support. This reaction process was considered to be the key step for the methane conversion to various products …”

Section: Resultsmentioning

confidence: 99%

“…This reaction process was considered to be the key step for the methane conversion to various products. [80] Selected geometrical parameters of the corresponding transition state complexes and their partial charge distributions and interaction energies were tabulated in Table 3. Without the external EF, the Fe•••C distance was contracted from 2.37 to 1.97 Å to form the transition structure (see Fig.…”

Section: Methane Activation On Fegpmentioning

confidence: 99%

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Theoretical study of methane adsorption and C─H bond activation over Fe‐embedded graphene: Effect of external electric field

et al. 2019

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The effect of an external electric field (EF) on the methane adsorption and its activation on iron‐embedded graphene (Fe‐GPs) are investigated by using the M06‐L density functional method. The EF is applied in the perpendicular direction to the graphene in the range of −0.015 to +0.015 a.u. with the interval of 0.005 a.u. The effects of EF on the adsorption, transition state and product complexes of the methane activation reaction are revealed. The binding energies of methane on Fe site in Fe‐GPs are increased from −12.9 to −15.3, −18.1 and −21.5 kcal/mol for the negative EF of −0.005, −0.010 and −0.015, respectively. By applying positive EF, the activation barriers for methane activation are reduced in range of 3–8 kcal/mol (around 12–31%) and the reaction energies are more exothermic. The positive EF kinetically favors the reaction compared to the system without EF. The adsorption and activation of methane on Fe‐GPs can be easily tuned by adjusting the external electric field for various applications. © 2019 Wiley Periodicals, Inc.

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Section: Resultsmentioning

confidence: 99%

Section: Methane Activation On Fegpmentioning

confidence: 99%

Theoretical study of methane adsorption and C─H bond activation over Fe‐embedded graphene: Effect of external electric field

et al. 2019

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Section: Methane Partial Oxidation Reactionmentioning

confidence: 99%

“…A suite of other 2D materials has also been theoretically predicted to be superior MPOR catalysts. For example, Limtrakul and co‐workers predicted that 2D BN‐ and graphene‐confined Fe SAs (Figure c) and the defective graphene‐supported Au 4 Pd clusters (Figure d) could be excellent candidates for the MPOR with the aid of N 2 O as an oxidant. A Pt‐dimer‐doped graphene oxide and 2D Mo 2 CO 2 (MXene)‐supported Pd dimers (Figure e) have also been predicted to be superior catalysts for the MPOR with O 2 as an oxidant.…”

Section: Methane Partial Oxidation Reactionmentioning

confidence: 99%

2D Electrocatalysts for Converting Earth‐Abundant Simple Molecules into Value‐Added Commodity Chemicals: Recent Progress and Perspectives

et al. 2019

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those emerging electrocatalytic redox reactions involving water, oxygen, and carbon dioxide as reactants. [7][8][9] The excellent progress achieved over the past decade has placed 2D electrocatalysts as one of the most important classes of nanostructured electrocatalysts. More significantly, 2D nanostructures are particularly useful for developing nonprecious-material-based electrocatalysts. For example, transition metal (TM) dichalcogenide (TMD)-based 2D nanomaterials have been used for water reduction to generate hydrogen via the hydrogen evolution reaction (HER). [10] In addition, 2D layered metal hydroxides (LMHs), [8d,11] layered metal oxides (LMO), [12] and 2D metal-organic frameworks (MOFs) [9c] have been developed for water oxidation to produce oxygen via the oxygen evolution reaction (OER). Graphene-based electrocatalysts have been used to achieve the 4-electron oxygen reduction reaction (ORR) [13] for fuel cells and the 2-electron oxygen reduction reaction (2e-ORR) [14] to produce hydrogen peroxide. Furthermore, ultrathin metal oxides [9b,15] or metal nanosheets, [16] TMDs, [9d,17] MXenes, [18] and 2D MOFs [19] have successfully been applied to convert nitrogen and carbon dioxide into ammonia and carbon fuels via the nitrogen reduction reaction (NRR) and carbon dioxide reduction reaction (CO 2 RR). The great success of nonprecious 2D electrocatalysts in a short time is due mainly to the unique 2D features that allow for the easy manipulation and engineering 2D nanostructures into catalytically active structures. As an emerging class of electrocatalysts, there are still several unexplored scientific domains and unrealized application potentials for 2D electrocatalysts. This aspect added to their unique 2D features and their advantages in creating catalytically active structures will continuously attract and motivate further research activities in the catalysis field. Meanwhile, a timely review on 2D electrocatalysts would undoubtedly facilitate this future research.The design, controllable synthesis, and applications of various types of 2D nanomaterials have been comprehensively covered by numerous excellent reviews. [2d,e,5] A number of excellent reviews on 2D electrocatalysts can also be found in the literature. [10a,20-23] However, these reviews focused on the development of 2D electrocatalysts for extensively reported energy-related applications such as the HER, OER, and ORR. In recent years, 2D electrocatalysts have increasingly been usedThe electrocatalytic conversion of earth-abundant simple molecules into value-added commodity chemicals can transform current chemical production regimes with enormous socioeconomic and environmental benefits. For these applications, 2D electrocatalysts have emerged as a new class of high-performance electrocatalyst with massive forward-looking potential. Recent advances in 2D electrocatalysts are reviewed for emerging applications that utilize naturally existing H 2 O, N 2 , O 2 , Cl − (seawater) and CH 4 (natural gas) as reactants for nitrogen reduction...

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“…60 No. 12 activation of a C-H bond in methane during the conversion of natural gas into liquid fuels [181][182][183][184][185][186], the direct synthesis of dimethylcarbonate from methanol [187][188][189][190], and the hydrochlorination of acetylene [191][192][193].…”

Section: Science China Materialsmentioning

confidence: 99%

Graphitized nanocarbon-supported metal catalysts: synthesis, properties, and applications in heterogeneous catalysis

Huang

2017

Sci. China Mater.

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Graphitized nanocarbon materials can be an ideal catalyst support for heterogeneous catalytic systems. Their unique physical and chemical properties, such as large surface area, high adsorption capacity, excellent thermal and mechanical stability, outstanding electronic properties, and tunable porosity, allow the anchoring and dispersion of the active metals. Therefore, currently they are used as the key support material in many catalytic processes. This review summarizes recent relevant applications in supported catalysts that use graphitized nanocarbon as supports for catalytic oxidation, hydrogenation, dehydrogenation, and C-C coupling reactions in liquid-phase and gas-solid phase-reaction systems. The latest developments in specific features derived from the morphology and characteristics of graphitized nanocarbon-supported metal catalysts are highlighted, as well as the differences in the catalytic behavior of graphitized nanocarbon-supported metal catalysts versus other related catalysts. The scientific challenges and opportunities in this field are also discussed. Keywords: nanocarbon materials; graphitized carbon supports; metal catalysts; hetergeneous catalysis INTRODUCTIONCarbon combines its atoms in diverse hybridization states (sp, sp 2 , sp 3 ) to form a variety of polymorphs. These are composed entirely of carbon but have different physical structures and different names, including diamond, graphite, fullerenes, and carbines, among others [1][2][3][4][5]. Because these various and versatile allotropes produce materials with a large range of properties, carbon materials can be used in a number of technological processes, including high-tech catalytic ones [6][7][8][9][10].In heterogeneous catalysis, carbon material plays wellestablished and important roles in a wide range of applications, both as catalyst in its own right and as a unique support material [11][12][13][14][15]. The chemical stability of carbon supports in some specifically aqueous phase biomass conversion surpasses that of metal oxide materials; in addition, carbon materials present other common and key advantages as support materials for catalysis [1,5]. From the point of physical structure, porous carbon can be prepared in different forms (granules, cloth, fibers, pallets, etc.). Due to its chemical properties, carbon structure is resistant to both acidic and basic media. The structure of carbon is stable at high temperature (even above 1023 K under inert atmosphere). The hydrophilic/ hydrophobic nature of carbon can be easily modified. Active metals on the support can be easily reduced. For the purposes of industrial economy and environment, the active phase can be easily recovered. Conventional carbon supports are lower-cost and more easily available than other conventional supports. Although several kinds of carbon materials have been studied, active carbon (AC) [12,[16][17][18][19] and, to a lesser extend, carbon black [20][21][22][23] have long been the most commonly used carbon supports. AC is an amorphous solid prepa...

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Direct oxidation of methane to methanol on Fe–O modified graphene

Abstract: The reaction mechanisms of the partial oxidation of methane to methanol over FeO/graphene are unraveled using an advanced DFT approach.

Cited by 53 publications

References 62 publications

Theoretical study of methane adsorption and C─H bond activation over Fe‐embedded graphene: Effect of external electric field

Theoretical study of methane adsorption and C─H bond activation over Fe‐embedded graphene: Effect of external electric field

2D Electrocatalysts for Converting Earth‐Abundant Simple Molecules into Value‐Added Commodity Chemicals: Recent Progress and Perspectives

Graphitized nanocarbon-supported metal catalysts: synthesis, properties, and applications in heterogeneous catalysis

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