2018
DOI: 10.1016/j.jcat.2018.01.006
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Hydrodeoxygenation of m-cresol over bimetallic NiFe alloys: Kinetics and thermodynamics insight into reaction mechanism

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Cited by 99 publications
(71 citation statements)
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“…The improved TOF may therefore indicate the Pt‐TiO x perimeter sites with oxygen vacancies are more active than supported metallic Pt sites for deoxygenation. Previous theoretical study suggested that bare Pt is less effective for direct deoxygenation due to the strong expulsive interaction between O atom of phenolics and Pt surface atom, leading to an increased barrier for O atom adsorption onto Pt surface and subsequent C−O bond breaking ,,. Cleavage of C aromatic ‐O bond on transition metal surfaces under mild conditions requires partial removal of the aromaticity of the phenyl ring by partial hydrogenation or tautomerization to facilitate O adsorption on the surface ,,,.…”
Section: Resultsmentioning
confidence: 99%
“…The improved TOF may therefore indicate the Pt‐TiO x perimeter sites with oxygen vacancies are more active than supported metallic Pt sites for deoxygenation. Previous theoretical study suggested that bare Pt is less effective for direct deoxygenation due to the strong expulsive interaction between O atom of phenolics and Pt surface atom, leading to an increased barrier for O atom adsorption onto Pt surface and subsequent C−O bond breaking ,,. Cleavage of C aromatic ‐O bond on transition metal surfaces under mild conditions requires partial removal of the aromaticity of the phenyl ring by partial hydrogenation or tautomerization to facilitate O adsorption on the surface ,,,.…”
Section: Resultsmentioning
confidence: 99%
“…This is the case of the Ni/SiO2 catalyst reported by Sitthisa et al, for which the yield on MF increased from 1.4 % (at 51 % conversion) with only Ni as catalyst, to 39 % (at 96 % conversion) when a Ni-Fe alloy was used (5 wt% Ni-2 wt% Fe). 19 Thus, this group 19,20 as well as that of Lercher 21 have reported that FeNi alloys are able to reduce the kinetic barrier for C-O bond activation in HDO reactions. In addition, oligomerization of cyclopentanone, a product of furfural hydrogenation, 22 can be of interest for the production of high-density biofuels with applications in the aviation field.…”
Section: Introductionmentioning
confidence: 95%
“…Such behavior was also observed for Ni based catalysts. The association of Ni to different metals such as Cu [33,34], Re [35,36], Pd [37], Pt [37,38], Fe [39][40][41][42][43] or Co [44][45][46][47][48][49][50] leads to beneficial changes in their HDO catalytic properties. The presence of Ni-Cu alloys in the corresponding bimetallic catalysts favored the deoxygenation rate of anisole into methylcyclohexane under high pressure (6 MPa) at 280 °C.…”
Section: Introductionmentioning
confidence: 99%