Catalyst Size Research Articles

The influence of spatial scale of active sites on the catalytic performance: Probing into C2H2 semi-hydrogenation on the Cu and S-modified Cu catalysts

The spatial scale of active sites is one of the key factors in determining catalytic performance. This study investigates C2H2 semi-hydrogenation on the Cu and S-modified Cu (S/Cu) catalysts as a probe to reveal the influence of the spatial scale of active sites on the catalytic performance. Here, DFT calculations and microkinetic modeling are employed. Our results confirmed that the spatial scale of Cu active sites on the Cu and S/Cu catalysts could be controlled by adjusting the supercell size of Cu catalyst and the surface S coverage of S/Cu catalyst, respectively, leading to different electronic and geometric effects, and therefore alter the catalytic performance. Green oil suppression is dominantly attributed to the geometric effect. Both S/Cu-3 × 3 with surface S coverage of 1/9 ML and Cu-2 × 2 catalysts are screened out to present the excellent catalytic performance in C2H2 semi-hydrogenation, correspondingly, the spatial scale of active sites is 5.015 and 5.112 Å. This work provides a theoretical basis for the influences of the spatial scale of active sites on the catalytic performance of targeted reaction, and helps the design of high performance Cu catalysts by adjusting the spatial scale of Cu active site.

Multi-walled carbon nanotubes growth by chemical vapour deposition: Effect of precursor flowing path and catalyst size

Carbon nanomaterials have been found to have promising performance in various applications. However, the complexity and high operation cost during the fabrication still limit the mass production. In this study, multi-walled carbon nanotubes (MWCNTs) were grown on nickel oxide (NiO) via chemical vapour deposition (CVD) with ethanol as the carbon precursor. The NiO catalyst was fabricated from a nickel nitrate – ethanol mixture. The particle size of NiO was altered through high-energy ball milling for 0, 4, and 7 h. The influence of precursor flowing path (D) and NiO catalyst size during the MWCNTs growth have been investigated. The Raman spectra showed that the crystallite size of MWCNTs (L a ) increased from 16.97 to 18.00 nm as the NiO milling time increased. Furthermore, NiO-catalysed MWCNTs at D = 12 cm achieved the highest carbon yield (80.54%), with an I D /I G ratio of 1.134. Also, SEM and TEM revealed that the larger size of NiO catalyst produced fewer layers of MWCNTs. These findings are significant to aid researchers and manufacturers in optimising the CVD process towards large-scale MWCNTs fabrication.

Experimental Research on Mercury Catalytic Oxidation over Ce Modified SCR Catalyst

In order to improve the ability of SCR catalyst to catalyze the oxidation of gaseous elemental mercury, a series of novel Ce modified SCR (Selection Catalytic Reduction, V2O5–WO3/TiO2) catalysts were prepared via two-step ultrasonic impregnation method. The performance of Ce/SCR catalysts on Hg0 oxidation and NO reduction as well as the catalytic mechanism on Hg0 oxidation was also studied. The XRD, BET measurements and XPS were used to characterize the catalysts. The results showed that the pore volume and pore size of catalyst was reduced by Ce doping, and the specific surface area decreased with the increase of Ce content in catalyst. The performance on Hg0 oxidation was promoted by the introduction of CeO2.Ce1/SCR (1%Ce, wt.%) catalyst exhibited the best Hg0 oxidation activity of 21.2% higher than that of SCR catalyst at 350°C, of which the NO conversion efficiency was also higher at 200–400°C. Furthermore, Ce1/SCR showed a better H2O resistance but a slightly weaker SO2 resistance than SCR catalyst. The chemisorbed oxygen and weak absorbed oxygen on the surface of catalyst were increased by the addition of CeO2. The chemisorbed oxygen and weak absorbed oxygen on the surface of catalyst were increased by the addition of CeO2. The Ce1/SCR possed better redox ability compared with SCR catalyst. HCl was the most effective gas responsible for the Hg0 oxidation, and the redox cycle (V4+ + Ce4+ ↔ V5+ + Ce3+) played an important role in promoting Hg0 oxidation.

Electrodes and electrocatalysts for electrochemical hydrogen peroxide sensors: a review of design strategies.

H2O2 sensing is required in various biological and industrial applications, for which electrochemical sensing is a promising choice among various sensing technologies. Electrodes and electrocatalysts strongly influence the performance of electrochemical H2O2 sensors. Significant efforts have been devoted to electrode nanostructural designs and nanomaterial-based electrocatalysts. Here, we review the design strategies for electrodes and electrocatalysts used in electrochemical H2O2 sensors. We first summarize electrodes in different structures, including rotation disc electrodes, freestanding electrodes, all-in-one electrodes, and representative commercial H2O2 probes. Next, we discuss the design strategies used in recent studies to increase the number of active sites and intrinsic activities of electrocatalysts for H2O2 redox reactions, including nanoscale pore structuring, conductive supports, reducing the catalyst size, alloying, doping, and tuning the crystal facets. Finally, we provide our perspectives on the future research directions in creating nanoscale structures and nanomaterials to enable advanced electrochemical H2O2 sensors in practical applications.

Modelling and performance analysis for cumene production process in a four-layer packed bed reactor

Abstract A mathematical model is developed and designed for the cumene reactor in cumene production process in Hindustan Organic Chemicals Limited (HOCL), Kochi with improved operating conditions. High purity cumene is produced by the alkylation of benzene with propylene in this catalytic condensation process where solid phosphoric acid (SPA) is used as the catalyst. The mathematical model has been derived from mass and energy balance equations considering the reactor as fixed packed bed reactor and two different numerical methods are presented here to solve the modelling equations. The explicit finite difference method (FDM) involves the approximation of derivatives into finite differences, and in the other one, orthogonal collocation (OC), Ordinary Diffeential Equations (ODEs) are formed at the collocation points and are solved using Runge–Kutta fourth order numerical scheme. Here the analysis shows that the predictions from the model are in good alignment with the plant data. The combined feed has the optimum value of 1:2:8 for propylene, propane and benzene and the profiles of temperature and concentration can be obtained along the reactor. The model has been implemented in COMSOL Multiphysics as a packed bed reactor using the same parameters collected from the plant of study. It has been found that the reaction occurs at a satisfactory level even with a low temperature than the reactor temperature at the plant by changing the catalytic particle size. The reaction performance is also analysed for the physical properties like porosity and catalyst size.

Recent Progress in Pd-Based Nanocatalysts for Selective Hydrogenation.

Selective hydrogenation plays an important role in the chemical industry and has a wide range of applications, including the production of fine chemicals and petrochemicals, pharmaceutical synthesis, healthcare product development, and the synthesis of agrochemicals. Pd-based catalysts have been widely applied for selective hydrogenation due to their unique electronic structure and ability to adsorb and activate hydrogen and unsaturated substrates. However, the exclusive and comprehensive summarization of the size, composition, and surface and interface effect of metal Pd on the performance for selective hydrogenation is still lacking. In this perspective, the research progress on selective hydrogenation using Pd-based catalysts is summarized. The strategies for improving the catalytic hydrogenation performance over Pd-based catalysts are investigated. Specifically, the effects of the size, composition, and surface and interfacial structure of Pd-based catalysts, which could influence the dissociation mode of hydrogen, the adsorption, and the reaction mode of the catalytic substrate, on the performance have been systemically reviewed. Then, the progress on Pd-based catalysts for selective hydrogenation of unsaturated alkynes, aldehydes, ketones, and nitroaromatic hydrocarbons is revealed based on the fundamental principles of selective hydrogenation. Finally, perspectives on the further development of strategies for chemical selective hydrogenation are provided. It is hoped that this perspective would provide an instructive guideline for constructing efficient heterogeneous Pd-based catalysts for various selective hydrogenation reactions.

Exploration of Metal-Molecule interaction of subnanometric heterogeneous catalysts via simulated Raman spectrum

To date, using either state-of-the-art direct image or indirect spectroscopic techniques to simultaneously identify the surface fine structure of heterogeneous catalyst and predict the chemical state of surface species under operando conditions, particularly down to subnanometry and even atomic scale, remains a substantial challenge. Nevertheless, reducing the size of the heterogeneous catalyst from bulk down to atomic level, the spectroscopic characteristics responsible for the unique interaction between metal and adsorbed molecules will thereby be tuned, giving rise to non-coherent spectroscopic characteristics for even the same metal/molecule combination, as repeatedly witnessed in literatures. This work details a new chemical strategy to identify the tangling characteristics of Raman spectra derived from the subnanometric cluster and even single atom catalysts under reactive atmosphere, a long-standing issue that impeded the further implementation of Raman techniques in miniaturized heterogeneous catalysis. We illustrate this concept through the use of a density functional theory (DFT) approach to simulate the Raman spectra of three typical Ptx/CeO2 (x = 1, 2, 9) systems of increasing sizes which represent isolated atom, layered clusters, and multiple layer clusters, respectively, under CO atmosphere to acquire the spectroscopic characteristics, usually masked by multiple interferences from the inevitable CO/Pt interaction circulated in relevant experimental studies. The novel approach explored in this manuscript should open up a new avenue for the use of theoretical chemistry method as a general tool to complement the current experimental method in identifying the intrinsic spectroscopic features masked by multiple interferences originated from complex chemical environment.

NaCl-Assisted Ultrasmall Mo2C Nanocrystals Confined in N, S Double-Doped Hierarchical Porous Carbon for Efficient Hydrogen Generation

Refining the size of nonprecious metal-based catalysts and restricting them in multiheteroatom-doped hierarchical porous carbon can achieve efficient electrical energy conversion. In this study, ultrasmall Mo2C nanocrystals with an average size of 4.9 nm are fitted to N and S double-doped hierarchical porous carbon (us-Mo2C/N,S-HPC) through a template strategy and used for efficient hydrogen production. First, the metal molybdenum salt is captured and fixed by natural bamboo leaf fibers which are pulverized by a ball mill. Meanwhile, the soluble sodium salt is largely filled in the bamboo leaf tissue. Subsequently, Mo2C nanocrystals formed by high-temperature reduction are uniformly anchored on the bamboo-derived N, S double-doped hierarchical porous carbon. As a result, the prepared us-Mo2C/N,S-HPC requires 150, 197, and 148 mV overpotential to drive a current density of 10 mA cm–1 at pH = 0, 7, and 14, respectively. This improvement is attributed to the synergistic effects of size controllable Mo2C, multidoped heteroatoms, and multiscale assembly structures. Significantly, this study is conducive to the construction of ultrafine nanocrystals and the high-value conversion of waste biomass.

Catalytic hydrogenation of CO2 to produce lower alcohols and ether over Co‐Cu‐Zn‐Al catalyst

AbstractIn this work, Cu‐Co‐Zn‐Al catalysts were prepared by synchronous aging coprecipitation method for direct hydrogenation of CO2 to lower alcohols and ether. The catalysts were characterized by N2 phyhsical adsorption, ICP‐OES, TEM, SEM, XRD, EDX, and XPS. Results showed that the particle size of catalysts ranged from 8.6 to 10.6 nm, indicating that higher reduction temperature resulted in the aggregation of the metal oxide particles. The sheet‐like morphology of catalyst Cu‐Co‐Zn‐Al‐500 is beneficial to expose more active sites. During the reduction process, Co3O4 was reduced to CoO and Co, and CuO was reduced to metallic Cu. Moreover, catalytic performance evaluation results showed that under the reaction temperature of 200°C and reaction time of 10 h, the total carbon formation rate of the liquid product reached 116 C μmol·gcat–1·h–1, with the corresponding yields of methanol, ethanol, propanol, and diisopropyl ether were 31, 41, 12, and 32 C μmol·gcat–1·h–1, respectively. Mechanism study suggested that, Cu played the role of activating the C=O bond of CO2 to form intermediates, Co2+ and Co0 played an important role for C‐C coupling in the reaction, ZnO improved the dispersion and stability of Cu, and Al2O3 as a support played a role in promoting methanol synthesis and alcohol dehydration to produce diisopropyl ether due to its strong Lewis acidity. © 2021 Society of Chemical Industry and John Wiley & Sons, Ltd.

Simulation of ethylene polymerization in continuous slurry reactors

A large volume of polyethylene is manufactured in continuous slurry reactors at an industrial scale. A complete reactor model of the polyethylene slurry reactors consists of the kinetic model, intraparticle diffusion model and the mass balance equations for individual species. In this paper, a modified polymeric multigrain model (PMGM) is used to describe the intraparticle monomer transport, rate of polymerization, particle growth and polymer yield in an ideal continuous stirred tank reactor (CSTR) using a single-site, non-deactivating catalyst. The effect of parameters such as the original catalyst size, ethylene partial pressure and the gas–liquid mass transfer coefficient on the radial monomer concentration profile, the rate of polymerization, polymer yield, reactor safety factor and the polydispersity index of the macroparticle is discussed.

Improvement in ammonia synthesis activity on ruthenium catalyst using ceria support modified a large amount of cesium promoter

A supported ruthenium catalyst (Ru/Cs+/CeO2) for ammonia synthesis is described which incorporates a large amount of a Cs+ promoter in a porous CeO2 support to enhance the electron donation effect of the alkali promoter on the ruthenium catalyst. Optimization of the Ru and Cs+ promoter contents improves the ammonia synthesis rate to more than 4 times that of the benchmark catalyst (Cs+/Ru/MgO) at 350 °C and 0.1 MPa, and the ammonia synthesis rate is stable for 100 h. Introduction of the Cs+ promoter into the support before the Ru impregnation increases the particle size of the Ru catalyst. Despite a decrease in the number of active sites, the TOF of the catalyst is more than 50 times that of Ru (2 wt%)/CeO2. CO adsorption measurements suggest an electron donating effect by the Cs+ promoter to ruthenium metal. Reaction order analysis indicates this is due to a mitigation of hydrogen poisoning.

Aerosol synthesis of single-walled carbon nanotubes by tuning feeding flow configuration for transparent conducting films

The diameter, bundle length, and bundle diameter of single-walled carbon nanotubes (SWCNTs) are key factors to their thin-film conductivity. Whereas these parameters interact and evolve simultaneously during SWCNT growth. Thus it is challenging to study the effect of one parameter solely on thin-film conductivity. Herein, we synthesized SWCNT samples with controllable shapes by simply modulating the flow rate of gases using floating catalyst chemical vapor deposition (FCCVD), where the carbon monoxide is served as the carbon source (CO) and ferrocene as catalyst precursor. By varying CO flow rates through ferrocene and the quartz tube, we obtained SWCNT samples with the constant mean tube diameter, while the bundle diameter or bundle length differs from each other. As a result, the SWCNT thin films exhibit tunable sheet resistance, in which the film with the bundle length of 16 μm and bundle diameter of 4.8 nm presents the lowest sheet resistance (84 Ω/□ at 90% transmittance by AuCl3 doping). Differing from the conventional methods, such as modulating temperature or catalyst size, our facile approach of regulating gas flow rates offers a new option for the controlled synthesis of SWCNTs.

Delay time of gases's catalytic heterogeneous ignition on various sizes's catalyst particles

In this work, catalytic ignition delay time of combustible gas's small impurities in air on a spherical metal particle of various diameters is analytically determined by the example of gas-air mixtures's flameless combustion with hydrogen impurities on a platinum particle. It is shown that stable flameless combustion is observed after an induction period for particles of a certain range. It has been established that catalytic ignition time of gases is divided into three stages: 1. inert heating, the duration of which still depends on the combustible gas concentration; 2. the stage of self-acceleration and catalyst temperature rise during the course of the catalytic reaction in the transition region; 3. stage of diffusion inhibition and reaching stable catalytic combustion. The characteristic relaxation time was used in a dimensionless form. To determine the duration of the second stage, a modified Frank-Kamenetsky approach is applied. The duration of diffusion inhibition stage in the dimensionless form is practically independent of catalyst particle's diameter, although the catalytic combustion temperature decreases with an increase in the catalyst diameter. Heat transfer by radiation, the role of which increases with the growth of the catalyst size, is included in the effective heat transfer coefficient, which allows maintaining the classical ideology to solving the problem of the induction period.

Solution‐Processed Graphene Thin‐Film Enables Binder‐Free, Efficient Loading of Nanocatalysts for Electrochemical Water Splitting

AbstractElectrochemical water splitting is promising to produce high purity hydrogen that can serve as clean and renewable energy. Reducing the size of catalysts down to the nanometer regime is critical for enhancing the electrochemical performance because reactions mostly occur at the surface of materials. However, fully exploiting the advantage of small nanocatalysts is challenging because accessible catalytic surface area is reduced by particle aggregation and the use of binders. In addition, a significant fraction of nanocatalysts is lost through the electrode pores during catalyst loading. Here, a simple strategy to efficiently load nanocatalysts without using binders is reported. By introducing a thin layer of graphene nanosheets on a porous membrane, a uniform nanocatalyst film via vacuum filtration of the dispersion can be created. The nanocatalyst/graphene composite can be transferred to a carbon paper without fracturing to function as a catalyst layer. The method is compatible with various nanomaterials to realize electrodes for hydrogen and oxygen evolution reactions and even bifunctional electrodes that exhibit activities for both. Significantly, the resulting electrodes show better performance than those produced by directly filtrating through the carbon paper. Moreover, the binder‐free surface allows for further enhancement in catalytic activity via postchemical treatments.

The best of both worlds in material synthesis to understand metal-support interactions

The best of both worlds in material synthesis to understand metal-support interactions

The effect of non-spherical platinum nanoparticle sizes on the performance and durability of proton exchange membrane fuel cells

• Developed and implemented a novel one-pot synthesis technique. • Synthesized non-spherical carbon-supported platinum nanoparticle catalysts. • Carried out physical, half- and full cell electrochemical characterizations. • Catalyst with 2 nm Pt size has excellent performance (> 1.1 W/cm 2 peak power density). • Catalyst with larger Pt size (5 nm) has excellent durability under AST. Platinum (Pt) nanoparticles with different sizes of 2 nm and 5 nm supported on functionalized high surface area carbon (HSC) have been successfully synthesized with a one-pot synthesis technique in large scale. Of the interest for the proton exchange membrane fuel cell applications, the synthesized supported catalysts are evaluated by physical characterizations, half-cell and scaled up single cell tests to study the impact of the catalyst sizes on cell performance and durability. Physical characterizations clearly demonstrate the sizes, shapes, crystallinity phases, and the total loading of the Pt nanoparticles on HSC. Half cell characterizations demonstrate higher electrochemical surface area, higher mass activity, and less durability for the working electrode prepared by the smaller Pt nanoparticle sizes (2 nm) than the larger Pt nanoparticles (5 nm). Scaled up single cell tests using air and hydrogen as the cathode and anode reactants demonstrate the membrane electrode assembly (MEA) prepared by smaller Pt nanoparticle sizes (2 nm) shows the maximum power density of 1.1 W/cm 2 , which is 7% higher than the maximum power density of MEA prepared by larger Pt nanoparticles (5 nm) under similar operational conditions. The 30,000 cycles of accelerated stress test on the membrane electrode assembly prepared by larger Pt nanoparticles (5 nm) demonstrates 13% drop at maximum power density, illustrating the excellent performance against degradation (ageing).

β-Cyclodextrin-Calcium Complex Intercalated Hydrotalcites as Efficient Catalyst for Transesterification of Glycerol

β-cyclodextrin derivative intercalated MgAl-hydrotalcites (β-CD-Ca/LDH) was synthesized to convert glycerol into high value-added glycerol carbonate(GC) by transesterification of dimethyl carbonate (DMC) and glycerol in this paper. β-cyclodextrin-metal complexes and β-CD-Ca/LDH was characterized by XRD, FT-IR, SEM, XPS and nitrogen adsorption-desorption. The enrichment of organic reactants in the hydrophobic cavity of β-cyclodextrin improved the collision probability of reactants. The intercalation of β-cyclodextrin-calcium complex (β-CD-Ca) increased the pore size and basic strength of catalyst. The experiment results showed that the glycerol conversion was 93.7% and the GC yield was 91.8% catalyzed by β-CD-Ca/LDH when the molar ratio of DMC and glycerol was 3:1, the catalyst dosage was 4 wt.%, the reaction temperature was 75 °C and the reaction time was 100 min while the glycerol conversion was 49.4% and the GC yield was 48.6% catalyzed by MgAl-LDH under the same conditions.

Electrospun PVDF/ZnO- Based Composite Fibers for Oil Absorption and Photocatalytic Degradation of Organic Dyes from Waste Water

The one-dimensional PVDF/ZnO composite nanofibers exhibit a large specific area, which is beneficial for the absorption of pollutants in wastewater. Moreover, the uniformly distributed ZnO nanoparticles provide a large number of reaction sites for the degradation of the organic contaminants in wastewater. The prepared multifunctional nanofiber membranes have been exploited to both dye degradation and oil absorption. This multifunctional composite nanofiber membrane are characterized and studied the photocatalytic degradation of organic pollutants. In addition, the oil absorption capacity of PVDF/ZnO composite fibers is examined using engine oil.In this work, a hydrophobic membrane was successfully prepared by incorporating ZnO nanofiller into polyvinylidene fluoride (PVDF) using an electrospinning method (Figure-1) for organic dye degradation and oil absorption applications. The hydrothermal method was used to prepare pure ZnO. The structural properties of PVDF/ZnO composite fibers and pure ZnO were studied using the X-ray diffraction technique (XRD). The crystallite size value for ZnO is calculated using Scherrer’s formula. The calculated crystallite size is 20 nm. The TEM image of pure ZnO shows a flower-like structure. The EDX spectrum shows that the ZnO sample consists of Zn and O elements. SEM images of pure PVDF and PVDF/ZnO composite electrospun mat shows uniformly oriented, interconnected structure with bead free fibers. Finally, the prepared fibers were tested for oil absorption and the photocatalytic degradation of organic dyes. Comparing the oil absorption capacity results of both pure PVDF and PVDF/ZnO, shows that the oil absorption capacity is higher for the composites with the addition of ZnO nanofiller. This is due to the addition of ZnO filler increase the hydrophobicity of the fibers. The superhydrophobic materials can allows oil to flow through and repel water. The photocatalytic activity of PVDF/ZnO was evaluated by the degradation of Azocarmine G (AZG) and Malachite green (MG) dye under sunlight irradiation. The absorption spectra shows the decrease in intensities of the absorption peak of AZG and MG dye upon the increasing of irradiation time. The results showed that 85% of AZG and 90% of MG dye could be degraded within 120 min and 240 min. When the time increases, the photodegradation efficiency also increases for the PVDF/ZnO composite fibers. The results indicate that the PVDF/ZnO composite play an vital role in AZG and MG dye degradation. The smaller crystallite size of ZnO catalyst play a key role in photocatalytic activity. As particle size decreases, the number of active surface sites increases. This in tern enhances the photocatalytic activity. The photocatalytic degradation mechanism of the PVDF/ZnO composite fiber can be explained as follows; When photon energy is irradiated on a ZnO surface, holes and electrons are formed. Superoxide radicals are formed when excited electrons in the conduction band react with adsorbed oxygen, whereas hydroxyl radicals are formed when holes in the valence band react with surface bound water molecules. Both hydroxyl and superoxide radicals have the ability to directly oxidize dye molecules. Good oil absorption efficiency (115 %) was achieved using PVDF/ZnO membrane. The results show that the prepared composite fibers can be used to absorb oil and degrade organic contaminants. This cost-effective, easy operation, reusability, and efficiency of the PVDF/ZnO fiber mats could be potentially useful for water treatment and oil recovery. Figure 1

Confinement of MnOx@Fe2O3 core-shell catalyst with titania nanotubes: Enhanced N2 selectivity and SO2 tolerance in NH3- SCR process

Surface interface regulation is an important research content in the field of heterogeneous catalysis. To improve the interface interaction between the active component and matrix, tremendous efforts have been dedicated to tailoring the morphology, size, and structure of composite catalysts. In this work, we report a confinement strategy to synthesize a series of core-shell catalysts loaded with metal oxides on titania nanotubes (TNTs), which were applied to the selective catalytic reduction of NOx with ammonia. Interestingly, the core-shell catalyst with confinement of TNTs exhibited the remarkable activity at low temperature region, N2 selectivity and sulfur tolerance. Benefiting from the superior interfacial confinement characteristic of TNTs and Fe2O3, strong component interactions, the surface acid sites and strong oxidizability of MnOx were properly regulated, thus obtained the outstanding activity, N2 selectivity and provide chemical protection to effectively prevent SO2 poisoning. As far as the reaction mechanism, we found that the adsorption and reactivity of Lewis acid sites were the dominant factors affecting the activity in the NH3-SCR process by in situ DRIFT spectra. In general, our work provides an innovative strategy for constructing an TNTs-enwrapped nanocomposite with nano-confinement and core-shell structure to improve the low temperature SCR process.

Selective organic phase hydrodeoxygenation of typical phenolic monomers and two lignin oils over highly active Pd/Hβ catalyst for high-grade bio-fuel production

The selective hydrodeoxygenation (HDO) of lignin-derived bio-oil still meets the great challenges due to its complex oxygenated organic component. In this research, first time, Pd-based zeolite catalysts were prepared by the modified deposition-precipitation (DP) method for the HDO conversion of guaiacol. Notably, for the same Si/Al ratio of zeolite, Pd2%/Hβ catalyst showed the higher catalytic activity on the HDO of guaiacol than that Pd2%/M and Pd2%/HZSM-5 catalyst, which mainly originated from the synergetic effect between metal nanoparticles size and acid sites of catalyst. As one of typical phenolic monomers, guaiacol can be converted into high yield of hydrocarbons under the condition of 220 °C, 3 MPa H2, and 4 h in n-hexane over Pd2%/Hβ (DP) catalyst. This highly active catalyst exhibited the good recyclability in the HDO conversion of guaiacol. In addition, other typical phenolic monomers can be converted into high yield of hydrocarbons over this highly active catalyst. Considering this, after HDO upgrading, real lignin oil (RLO) can be converted into high yield of hydrocarbons with the carbon number (CN) in range of C7-C15. This work highlighted that the depolymerization monomers from lignin can be further upgraded by this high active catalyst through HDO to obtain jet hydrocarbons fuel.