Catalytic Hydrogenation Reactions Research Articles

Acid-base synergistic effect towards catalytic transfer hydrogenation reactions

Catalytic transfer hydrogenation (CTH) of aldehydes/ketones by using alcohols as hydrogen donors is an attractive and environmentally friendly hydrogenation technology, which has evoked widespread attention in synthesis of fine chemicals from biomass resources. In this work, a Co-Al mixed metal oxide catalyst (Co1Al2-MMO-200) was obtained through structural topological transformation process of layered double hydroxides, which was used in the CTH reaction of furfural with isopropanol. Notably, the reaction rate achieves 0.023 mol g−1 h−1, which is preponderate to acid-base catalysts earlier reported. The joint research based on CO2-TPD, NH3-TPD and poisoning experiment substantiates that the synergy effect of acid-base sites plays an essential role in this catalytic system. Isotopic labelling MS, in-situ FT-IR and DFT studies further verify that the CTH reaction of furfural occurs via the Meerwein-Ponndorf-Verley (MPV) route, in which the basic site promotes the deprotonation of isopropanol whilst the acid site facilitates the formation of a six-membered ring transition state. This work demonstrates an acid-base synergetic catalysis for the CTH reaction by revealing the structure-property correlation and exploring reaction route, which is instructive for designing high-performance heterogenous catalysts.

Iridium(III) complexes with cyclometalated imidazolylidene ligands: sp2 phenyl C[sbnd]H activation vs sp2 benzyl C[sbnd]H activation and catalytic transfer hydrogenation reactions

Cyclometalated N-heterocyclic carbene (NHC) complexes possess fascinating electronic and catalytic properties. A series of cyclometalated iridium(III) complexes have been synthesized from the corresponding imidazolium salts via the aryl sp2 CH bond activation at the N1-phenyl/N3-benzyl wingtips of the imidazolylidene moiety. The electronic tuning towards the competitive formation of cyclometalated complexes (sp2 phenyl CH activation vs sp2 benzyl CH activation) has been discussed. These complexes have been utilized for the transfer hydrogenation (TH) reaction of 4-bromobenzaldehyde and 4-bromoacetophenone. These complexes showed excellent yields of the aryl-alcohols from 4-bromobenzaldehyde or 4-bromoacetophenone.

Metal-Ligand Cooperation with Thiols as Transient Cooperative Ligands: Acceleration and Inhibition Effects in (De)Hydrogenation Reactions.

ConspectusOver the past two decades, we have developed a series of pincer-type transition metal complexes capable of activating strong covalent bonds through a mode of reactivity known as metal-ligand cooperation (MLC). In such systems, an incoming substrate molecule simultaneously interacts with both the metal center and ligand backbone, with one part of the molecule reacting at the metal center and another part at the ligand. The majority of these complexes feature pincer ligands with a pyridine core, and undergo MLC through reversible dearomatization/aromatization of this pyridine moiety. This MLC platform has enabled us to perform a variety of catalytic dehydrogenation, hydrogenation, and related reactions, with high efficiency and selectivity under relatively mild conditions.In a typical catalytic complex that operates through MLC, the cooperative ligand remains coordinated to the metal center throughout the entire catalytic process, and this complex is the only catalytic species involved in the reaction. As part of our ongoing efforts to develop new catalytic systems featuring MLC, we have recently introduced the concept of transient cooperative ligand (TCL), i.e., a ligand that is capable of MLC when coordinated to a metal center, but the coordination of which is reversible rather than permanent. We have thus far employed thiol(ate)s as TCLs, in conjunction with an acridanide-based ruthenium(II)-pincer catalyst, and this has resulted in remarkable acceleration and inhibition effects in various hydrogenation and dehydrogenation reactions. A cooperative thiol(ate) ligand can be installed in situ by the simple addition of an appropriate thiol in an amount equivalent to the catalyst, and this has been repeatedly shown to enable efficient bond activation by MLC without the need for other additives, such as base. The use of an ancillary thiol ligand that is not fixed to the pincer backbone allows the catalytic system to benefit from a high degree of tunability, easily implemented by varying the added thiol. Importantly, thiols are coordinatively labile enough under typical catalytic conditions to leave a meaningful portion of the catalyst in its original unsaturated form, thereby allowing it to carry out its own characteristic catalytic activity. This generates two coexisting catalyst populations─one that contains a thiol(ate) ligand and another that does not─and this may lead to different catalytic outcomes, namely, enhancement of the original catalytic activity, inhibition of this activity, or the occurrence of diverging reactivities within the same catalytic reaction mixture. These thiol effects have enabled us to achieve a series of unique transformations, such as thiol-accelerated base-free aqueous methanol reforming, controlled stereodivergent semihydrogenation of alkynes using thiol as a reversible catalyst inhibitor, and hydrogenative perdeuteration of C═C bonds without using D2, enabled by a combination of thiol-induced acceleration and inhibition. We have also successfully realized the unprecedented formation of thioesters through dehydrogenative coupling of alcohols and thiols, as well as the hydrogenation of organosulfur compounds, wherein the cooperative thiol serves as a reactant or product. In this Account, we present an overview of the TCL concept and its various applications using thiols.

Gas–Liquid Mass Transfer Intensification for Selective Alkyne Semi-Hydrogenation with an Advanced Elastic Catalytic Foam-Bed Reactor

The Elastic Catalytic Foam-bed Reactor (EcFR) technology was used to enhance a model catalytic hydrogenation reaction by improving gas–liquid mass transfer. This advanced technology is based on a column packed with a commercial elastomeric polyurethane open-cell foam, which also acts as a catalyst support. A simple and efficient crankshaft-inspired system applied in situ compression/relaxation movements to the foam bed. For the first time, the catalytic support parameters (i.e., porosity, tortuosity, characteristic length, etc.) underwent cyclic and controlled changes over time. These dynamic cycles have made it possible to intensify the transfer of gas to liquid at a constant energy level. The application chosen was the selective hydrogenation of phenylacetylene to styrene in an alcoholic solution using a palladium-based catalyst under hydrogen bubble conditions. The conversion observed with this EcFR at 1 Hz as cycle frequency was compared with that observed with a conventional Fixed Catalytic Foam-bed Reactor (FcFR).

Catalytic hydrogenation reaction micro-kinetic model for dibenzyltoluene as liquid organic hydrogen carrier

The implementation of the liquid organic hydrogen carrier (LOHC) technology for efficient energy storage requires the development of a reliable kinetic model for both hydrogenation and dehydrogenation processes. In this research study, the catalytic hydrocarbon saturation for a dibenzyltoluene (DBT) mixture solution, containing dibenzylbenzene (DBB), dibenzylethylbenzene (DBEB) and impurities has been performed in the presence of Ru/Al2O3 particles. The influence of different reaction conditions, such as temperature, pressure, initial reactant concentration, catalyst amount and stirring speed has been examined. A measurement-based system micro-kinetics, based on the Langmuir–Hinshelwood mechanism with dissociative H2 surface adsorption, has been derived. H2 thermodynamic solubility equilibrium was defined through Henry's law. The adsorbing, desorption and reactivity of inert solvent molecules was not considered to be relevant. The mass transfer resistance over 1000 rpm stirring speed was negligible. Relative- and mean squared error of representation were 40.9% and 1.00×10−4, respectively. Expressions gave an excellent data prediction for the profile period trends with a relatively accurate estimation of H2 intermediates' rate selectivity, H2-covered area approximation and pathway rate-determining steps. Due to the lack of commercially available standard chemical compounds for quantitative analysis techniques, a novel experiment-based numerical calibration method was developed. Mean field (micro)kinetics represent an advancement in the mesoscale mechanistic understanding of physical interface phenomena. This also enables catalysis structure–activity relationships, unlocking the methodology for new LOHC reaching beyond traditional, such as ammonia, methanol and formate, which do not release H2 alone. Integrated multiscale simulations could include fluidics later on.

Selective CO2 hydrogenation to liquid fuels over Na-decorated FeMgMnOx catalyst with high carbon efficiency

Direct synthesis of liquid fuels (C5+ hydrocarbons) through CO2 hydrogenation has attracted considerable interest. However, it is plagued by high selectivity of C1 by-products (CO and CH4) and low reaction activity. Herein, we report that Na-decorated Fe catalysts promoted by combination of Mg and Mn and investigate their synergistic effect in the catalytic CO2 hydrogenation reaction. The optimized amounts of promoters result in a significant improvement in the catalytic performance of NaFe2O3. The CO2 conversion increases by 1.6-fold, while the total selectivity of CO and CH4 is suppressed to below 21.3 %. The characteristic results reveal the enhanced surface alkalinity and electron transfer favor CO2 adsorption and tuned the local H/C ratio in the vicinity of iron species, thus remarkably promoting the carbon chain growth and limiting the production of C1 products. This study offers a promising approach to modulating the metal electronic environment and improving carbon efficiency for CO2 hydrogenation reactions.

Metal-Sulfur Interfaces as the Primary Active Sites for Catalytic Hydrogenationsf.

The determination of catalytically active sites is crucial for understanding the catalytic mechanism and providing guidelines for the design of more efficient catalysts. However, the complex structure of supported metal nanocatalysts (e.g., support, metal surface, and metal-support interface) still presents a big challenge. In particular, many studies have demonstrated that metal-support interfaces could also act as the primary active sites in catalytic reactions, which is well elucidated in oxide-supported metal nanocatalysts but is rarely reported in carbon-supported metal nanocatalysts. Here, we fill the above gap and demonstrate that metal-sulfur interfaces in sulfur-doped carbon-supported metal nanocatalysts are the primary active sites for several catalytic hydrogenation reactions. A series of metal nanocatalysts with similar sizes but different amounts of metal-sulfur interfaces were first constructed and characterized. Taking Ir for quinoline hydrogenation as an example, it was found that their catalytic activities were proportional to the amount of the Ir-S interface. Further experiments and density functional theory (DFT) calculations suggested that the adsorption and activation of quinoline occurred on the Ir atoms at the Ir-S interface. Similar phenomena were found in p-chloronitrobenzene hydrogenation over the Pt-S interface and benzoic acid hydrogenation over the Ru-S interface. All of these findings verify the predominant activity of metal-sulfur interfaces for catalytic hydrogenation reactions and contribute to the comprehensive understanding of metal-support interfaces in supported nanocatalysts.

Silica-modified Pt/TiO2 catalysts with tunable suppression of strong metal–support interaction for cinnamaldehyde hydrogenation

Tuning Strong Metal-support Interactions (SMSI) is a key strategy to obtain highly active catalysts, but conventional methods usually enable TiOx encapsulation of noble metal components to minimize the exposure of noble metals. This study demonstrates a catalyst preparation method to modulate a weak encapsulation of Pt metal nanoparticles (NPs) with the supported TiO2, achieving the moderate suppression of SMSI effects. The introduction of silica inhibits this encapsulation, as reflected in the characterization results such as XPS and HRTEM, while the Ti4+ to Ti3+ conversion due to SMSI can still be found on the support surface. Furthermore, the hydrogenation of cinnamaldehyde (CAL) as a probe reaction revealed that once this encapsulation behavior was suppressed, the adsorption capacity of the catalyst for small molecules like H2 and CO was enhanced, which thereby improved the catalytic activity and facilitated the hydrogenation of CAL. Meanwhile, the introduction of SiO2 also changed the surface structure of the catalyst, which inhibited the occurrence of the acetal reaction and improved the conversion efficiency of C=O and C=C hydrogenation. Systematic manipulation of SMSI formation and its consequence on the performance in catalytic hydrogenation reactions are discussed.

Understanding platinum-based H2 adsorption/ desorption kinetics during catalytic hydrogenation or hydrogen storage-related reactions

Hydrogen is among the most promising energy carriers and plays an important role on the way to sustainable technologies. Platinum holds great promise for unlocking the potential of renewable hydrogen, as it is an essential component of proton exchange membrane technologies and in various hydrogenation reactions. For the variety of applications of energy harvesting, conversion, and storage, the optimization and reduction of Pt loading is crucial. In view of this, a platinum catalyst using a stable SiO2 support is synthesized to investigate the adsorption/desorption behavior of hydrogen on platinum nanoparticles of different sizes, obtained by treating the sample at different calcination temperatures. Pulsed chemisorption and subsequent temperature-programmed desorption are described mathematically to obtain kinetic parameters. It is shown that higher adsorption capacities could be obtained using smaller particles. However, for particles smaller than 2.4 nm, higher Pt2+ content decreases H2 adsorption. Adsorption inhibition due to the presence of monatomic Pt cannot be excluded. The size of the Pt nanoparticles does not significantly affect the desorption/adsorption energy, but there is evidence that the hydrogen adsorbed per Pt atom at the surface varies with size: about 1 for single crystal planes and 2 for nanoparticles <3 nm.

Synthesis of the Pentasaccharide of the K14 Capsular Polysaccharide of Antibiotic Resistant ST25 Acinetobacter baumannii isolate, D46 and O‐Polysaccharide of Acinetobacter baumannii O11

AbstractSynthesis of the pentasaccharide corresponding to the K14 capsular polysaccharide from ST25 Acinetobacter baumannii isolate, D46 and O‐polysaccharide of Acinetobacter baumannii O11 has been achieved in very good yield using a convergent stereoselective [3+2] block glycosylation strategy. The synthetic scheme includes several regio‐ and stereose lective glycosylations as well as orthogonal glycosylation with high yield. Thioglycosides have been used as glycosyl donors using a combination of copper(II) bromide and tetra‐n‐butylammonium bromide (TBAB) as thiophilic activator for 1,2‐cis glycosylation and a combination of N‐iodosuccinimide (NIS) and trimethylsilyl trifluoromethanesulfonate (TMSOTf) as thiophilic activator for 1,2‐trans glycosylation. Glycosyl trichloroacetimidate derivative was used as glycosyl donor using perchloric acid supported on silica (HClO4–SiO2) as activator. A catalytic transfer hydrogenation reaction has been carried out for the removal of benzyloxy and benzylidene functional groups using triethylsilane as hydrogen source.

Aromatic Ethers Induced Electronic Structure Reconstruction on Encapsulated Nickel Catalysts for High-Performance Catalytic Hydrogenation.

Carbon-encapsulated metal (CEM) catalysts effectively address supported metal catalyst instability by protecting the active metal with a shell. However, mass transfer limitations lead to reduced activity for catalytic hydrogenation reaction over most CEM catalysts. Herein, we introduce a dopant strategy aimed at incorporating nickel metal within graphene-like shells (GLS) featuring oxygen-containing functional groups (OFGs). The core of this strategy involves precise control of GLS modification and the demonstrated pivotal influence of aromatic ether linkages (═C-O-C) in GLS for significant enhancement of catalytic performance. The introduction of ═C-O-C into GLS with stability was beneficial to improve the work function of the catalyst and promoted electron transmission from Ni metal core to GLS, further elevating the catalytic activity, based on the Mott-Schottky effect. In addition, the experimental characterization and density functional theory (DFT) calculations showcased that the ═C-O-C reconstructed the electronic state of GLS, imparting it highly specific for the adsorption of hydrogen and para-chloronitrobenzene (p-CNB) to obtain para-chloroaniline (p-CAN) with high selectivity. This work manifested a feasible direction for the precise modulation and design of the OFGs in CEM catalysts to achieve highly efficient catalytic hydrogenation.

Integrating theory with the nanoreactor concept to synthesize hollow carbon sphere‐encapsulated PtNi alloys for enhanced H2 generation

AbstractThe rational design of efficient bimetallic nanoparticle (NP) catalysts is challenging due to the lack of theoretical understanding of active components and insights into the mechanisms of a specific reaction. Here, we report the rational design of nanoreactors comprising hollow carbon sphere‐confined PtNi bimetallic NPs (PtNi@HCS) as highly efficient catalysts for hydrogen generation via ammonia borane hydrolysis in water. Using both density functional theory calculations and molecular dynamics simulations, the effects of an active PtNi combination and the critical synergistic role of a hollow carbon shell on the molecule diffusion adsorption behaviors are explored. Kinetic isotope effects and theoretical calculations allow the clarification of the mechanism, with oxidative addition of an O–H bond of water to the catalyst surface being the rate‐determining step. The remarkable catalytic activity of the PtNi@HCS nanoreactor was also utilized for successful tandem catalytic hydrogenation reactions, using in situ‐generated H2 from ammonia borane with high efficiency. The concerted design, theoretical calculations, and experimental work presented here shed light on the rational elaboration of efficient nanocatalysts and contribute to the establishment of a circular carbon economy using green hydrogen.

Stabilization of unique Zr>4+ species in NiFe2O4 nanocrystals for unprecedented catalytic transfer hydrogenation reaction

Stabilization of transition metal species (like Zr>4+) with increasingly positive charge density at oxide surfaces is highly important for intrinsically improving catalytic performance for many uses like catalytic transfer hydrogenation (CTH) reaction, which however remains inaccessible. Here, we showcase a water-quenching strategy that stably achieves Zr>4+ species at surfaces of prototype spinel oxide NiFe2O4. Systematic investigation unveils that these Zr>4+species were precisely incorporated into surface octahedral Ni sites of NiFe2O4. The local electronic structure was thus regulated. As a consequence, there simultaneously appear electron depletion (Zr>4+) and accumulation (O2-) at the resulted sites, which play the distinct roles as Lewis acid-base sites in (i) facilitating O-H bond dissociation and CO bond activation, (ii) enhancing the interaction and bonding with substrate molecules, and (iii) reducing the energy barrier for hydrogen transfer process. The resulting catalysts exhibit superior catalytic performance and stability in the CTH reaction of biomass-derived carbonyls and representative aldehydes/ketones, especially the reduction of furfural to furfuryl alcohol with a yield of 90.7% under 120 ℃ for 3 h. This work provides new insights into optimizing catalytic activity in metal oxides by stabilizing transition metal species with unexpectedly positive charge density.

Exfoliated MXene-AuNPs hybrid in sensing and multiple catalytic hydrogenation reactions.

The increasing use of nanomaterials in consumer products is expected to lead to environmental contamination sometime soon. As water pollution is a pressing issue that threatens human survival and impedes the promotion of human health, the search for adsorbents for removing newly identified contaminants from water has become a topic of intensive research. The challenges in the recyclability of contaminated water continue to campaign the development of highly reusable catalysts. Although exfoliated 2D MXene sheets have demonstrated the capability towards water purification, a significant challenge for removing some toxic organic molecules remains a challenge due to a need for metal-based catalytic properties owing to their rapid response. In the present study, we demonstrate the formation of hybrid structure AuNPs@MXene (Mo2CTx) during the sensitive detection of Au nanoparticle through MXene sheets without any surface modification, and subsequently its applications as an efficient catalyst for the degradation of 4-nitrophenol (4-NP), methyl orange (MO), and methylene blue (MB). The hybrid structure (AuNPs@MXene) reveals remarkable reusability for up to eight consecutive cycles, with minimal reduction in catalytic efficiency and comparable apparent reaction rate constant (Kapp) values for 4-NP, MB, and MO, compared to other catalysts reported in the literature.

Identification of Direct Anchoring Sites for Monoatomic Dispersion of Precious Metals (Pt, Pd, Ag) on CeO2 Support.

Monoatomic dispersion of precious metals on the surface of CeO2 nanocrystals is a highly practical approach for dramatically reducing the usage of precious metals while exploiting the unique properties of single-atom catalysts. However, the specific atomic sites for anchoring precious metal atoms on the CeO2 support and underlying chemical mechanism remain partially unknown. Herein, we show that the terminal hydroxyls on the (100) surface are the most stable sites for anchoring Ag atoms on CeO2 , indicating that CeO2 nanocubes are the most efficient substrates to achieve monoatomic dispersion of Ag. Importantly, the newly identified chemical mechanism for single-metal-atom dispersion on CeO2 nanocubes appears to be generic and can thus be extended to other precious metals (Pt and Pd). In fact, our experiments also show that atomically dispersed Pt/Pd species exhibit morphology- and temperature-dependent CO selectivity in the catalytic CO2 hydrogenation reaction.

Identification of Direct Anchoring Sites for Monoatomic Dispersion of Precious Metals (Pt, Pd, Ag) on CeO2 Support

AbstractMonoatomic dispersion of precious metals on the surface of CeO2 nanocrystals is a highly practical approach for dramatically reducing the usage of precious metals while exploiting the unique properties of single‐atom catalysts. However, the specific atomic sites for anchoring precious metal atoms on the CeO2 support and underlying chemical mechanism remain partially unknown. Herein, we show that the terminal hydroxyls on the (100) surface are the most stable sites for anchoring Ag atoms on CeO2, indicating that CeO2 nanocubes are the most efficient substrates to achieve monoatomic dispersion of Ag. Importantly, the newly identified chemical mechanism for single‐metal‐atom dispersion on CeO2 nanocubes appears to be generic and can thus be extended to other precious metals (Pt and Pd). In fact, our experiments also show that atomically dispersed Pt/Pd species exhibit morphology‐ and temperature‐dependent CO selectivity in the catalytic CO2 hydrogenation reaction.

High-Pressure Hydrogenation: A Path to Efficient Methane Production from CO2

Methane has a rather relevant role in the “Power-to-Gas” concept, which is central in the current paradigm of climate change and renewable energies. Methane, the main component of natural gas, can be produced by catalytic hydrogenation reactions, particularly of CO2. A very effective catalyst in this reaction, hydrotalcite-derived nickel nanoparticles supported on alumina, Ni/Al2O3-HTC, can be employed in a high-pressure flow reactor to convert CO2 and H2 into CH4 at 100% selectivity and 84% conversion, whereas at atmospheric pressure, methane can be obtained with up to 90% selectivity. The high-pressure aspect also allows fast-paced production—over 5 m3·h−1·kgcat−1 of CH4 can be generated.

Enhanced catalytic reductive hydrogenation of an organic dye by Ag decorated graphitic carbon nitride modified MCM-41.

Utilization of efficient, stable and reusable catalysts for wastewater treatment and catalytic elimination of toxic pollutants is a challenge among researchers. This present work shows the synthesis of high-surface-activity Ag nanoparticle decorated gC3N4 modified MCM-41 and its efficiency towards catalytic hydrogenation of organic dye in the presence of reducing agent NaBH4. The proposed mechanism is based on the transfer of H+ and 2e- between the dye and the catalyst. Adsorption of dye stuff on the catalyst is a rate-determining step and is accelerated by the MCM-41 support which enhances the surface area. The catalytic efficiency and optimum time requirement were examined through the adsorption-desorption equilibrium, pseudo-first-order reaction kinetic model for the dye. The result obtained was 98% catalytic efficiency followed by the catalytic hydrogenation reaction.

Covalent Organic Framework Impregnated with Silver and Copper Nanoparticles: An Advanced Approach for Catalytic Degradation of Organic Pollutants in Wastewater.

In this study, we introduce an economically viable and scalable process for developing a novel covalent organic framework (COF), which is a cross-linked polymer. The resulting material, TzTFB-COF, is successfully functionalized with silver and copper nanoparticles, which show high adequacy in the degradation of nitroaromatic compounds (NACs). For the synthesis of TzTFB-COF, s-tetrazine diamine (Tz) and 1,3,5-triformylbenzene (TFB) are chosen as building blocks, which exhibit a high density of nitrogen-containing sites. TzTFB-COF shows good chemical and thermal stability (>300 °C). For functionalization of TzTFB-COF with silver and copper nanoparticles, a solution infiltration technique is used. The composite materials, i.e., Ag@TzTFB-COF and Cu@TzTFB-COF, have been characterized using various spectroscopic and analytical techniques, which show high activity, high selectivity, and excellent chemical and thermal stability up to 350 °C. The silver and copper contents of Ag@TzTFB-COF and Cu@TzTFB-COF are determined to be 9.6 and 12.4 wt % by inductively coupled plasma optical emission spectrometer (ICP-OES). The catalytic efficiency of the synthesized Ag@TzTFB-COF and Cu@TzTFB-COF materials is assessed in the context of catalyzing the hydrogenation of NACs. Experimental results reveal a remarkable catalytic performance when conducted in an aqueous medium, and notably, the materials demonstrate substantial potential for reusability across multiple catalytic cycles. The determined parameters for the catalytic hydrogenation reaction, i.e., the rate constants and Gibbs free energies, are found to be 0.0185 s-1 and 9.878 kJ/mol for Ag@TzTFB-COF and 0.0219 s-1 and 9.615 kJ/mol for Cu@TzTFB-COF. Thus, the catalytic reaction exhibits characteristics of endothermic, endergonic, and nonspontaneous nature.

Catalytic aqueous hydrodeoxygenation of palmitic acid with in-situ hydrogen donor

Algal bio-oil obtained from hydrothermal liquefaction of algae contains a large amount of water and long-chain fatty acids. High acidity and corrosiveness seriously restrict the application of algal bio-oil. The aqueous-phase catalytic upgrading was a promising approach to solve this problem, and the hydrogen donor was one of the most important parameters to the conversion of the algal bio-oil and the quality of the products. Catalytic transfer hydrogenation (CTH) reaction was an efficient, economical and green method for hydrogenation reaction, which can directly transfer hydrogen from the hydrogen donor to the reaction substrate. In this work, the CTH reaction of algal bio-oil model compound palmitic acid was investigated to deal with the problem of high oxygen content in the algal bio-oil. Several common hydrogen donors, included methanol, ethanol, formic acid, and isopropanol, as well as different reaction conditions were experimented to study the CTH process of palmitic acid. The results showed that, with the reaction conditions of 350 °C and 10 h, formic acid achieved the best oxygen removal, carbon retention and energy efficiency, the C16 selectivity reached the highest at 33.3 % as the formic acid addition ratio was 1:2, and the C15 selectivity reached the highest at 48.3 % as the formic acid addition ratio was 1:3. In general, the best ratio of formic acid added was 1:3, which showed the highest yield of C15 and above alkanes of 79.6 %. This result indicates that the catalytic transfer hydrogenation reaction of formic acid has practical value in improving the combustion performance of algal bio-oil.