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Academic literature on the topic 'Heterogeneous catalysis'

Author: Grafiati

Published: 4 June 2021

Last updated: 1 August 2024

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Journal articles on the topic "Heterogeneous catalysis"

Muñoz-Batista, Mario J., and Rafael Luque. "Heterogeneous Photocatalysis." ChemEngineering 5, no. 2 (May 25, 2021): 26. http://dx.doi.org/10.3390/chemengineering5020026.

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Wan, Qiang, Sen Lin, and Hua Guo. "Frustrated Lewis Pairs in Heterogeneous Catalysis: Theoretical Insights." Molecules 27, no. 12 (June 10, 2022): 3734. http://dx.doi.org/10.3390/molecules27123734.

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Frustrated Lewis pair (FLP) catalysts have attracted much recent interest because of their exceptional ability to activate small molecules in homogeneous catalysis. In the past ten years, this unique catalysis concept has been extended to heterogeneous catalysis, with much success. Herein, we review the recent theoretical advances in understanding FLP-based heterogeneous catalysis in several applications, including metal oxides, functionalized surfaces, and two-dimensional materials. A better understanding of the details of the catalytic mechanism can help in the experimental design of novel heterogeneous FLP catalysts.

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Baráth, Eszter. "Selective Reduction of Carbonyl Compounds via (Asymmetric) Transfer Hydrogenation on Heterogeneous Catalysts." Synthesis 52, no. 04 (January 2, 2020): 504–20. http://dx.doi.org/10.1055/s-0039-1691542.

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Based on the ever-increasing demand for optically pure compounds, the development of efficient methods to produce such products is very important. Homogeneous asymmetric catalysis occupies a prominent position in the ranking of chemical transformations, with transition metals coordinated to chiral ligands being applied extensively for this purpose. However, heterogeneous catalysts have the ability to further extend the field of asymmetric transformations, because of their beneficial properties such as high stability, ease of separation and regeneration, and the possibility to apply them in continuous processes. The main challenge is to find potential synthetic routes that can provide a chemically and thermally stable heterogeneous catalyst having the necessary chiral information, whilst keeping the catalytic activity and enantioselectivity equally high (or even higher) than the corresponding homogeneous counterpart. Within this short review, the most relevant immobilization modes and preparative strategies depending on the support material used are summarized. From the reaction scope viewpoint, metal catalysts supported on the various solid materials studied in (asymmetric) transfer hydrogenation of carbonyl compounds are selected and represent the main focus of the second part of this overview.1 Introduction2 Synthesis of Chiral Heterogeneous Catalysts2.1 Immobilization of Homogeneous Asymmetric Catalysts2.1.1 Immobilization on Inorganic Supports2.1.2 Immobilization on Organic Polymers as Supports2.1.3 Immobilization on Dendrimer-Type Materials as Supports2.1.4 Self-Supported Chiral Catalysts: Coordination Polymers2.1.5 Immobilization Using Non-Conventional Media2.2 Chirally Modified Metal Surfaces for Heterogeneous Asymmetric Catalysis3 Examples of Transfer Hydrogenation on Heterogeneous Catalysts3.1 Silicon-Immobilized Catalysts3.2 Carbon-Material-Immobilized Catalysts3.3 Polymer-Immobilized Catalysts3.4 Magnetic-Nanoparticle-Immobilized Catalysts4 Conclusions

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Motokura, Ken, and Kyogo Maeda. "Recent Advances in Heterogeneous Ir Complex Catalysts for Aromatic C–H Borylation." Synthesis 53, no. 18 (April 9, 2021): 3227–34. http://dx.doi.org/10.1055/a-1478-6118.

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AbstractAromatic C–H borylation catalyzed by an Ir complex is among the most powerful methods for activating inert bonds. The products, i.e., arylboronic acids and their esters, are usable chemicals for the Suzuki–Miyaura cross-coupling reaction, and significant effort has been directed toward the development of homogeneous catalysis chemistry. In this short review, we present a recent overview of current heterogeneous Ir-complex catalyst developments for aromatic C–H borylation. Not only have Ir complexes been immobilized on support surfaces with phosphine and bipyridine ligands, but Ir complexes incorporated within solid materials have also been developed as highly active and reusable heterogeneous Ir catalysts. Their catalytic activities and stabilities strongly depend on their surface structures, including linker length and ligand structure.1 Introduction and Homogeneous Ir Catalysis2 Heterogeneous Ir Complex Catalysts for C–H Borylation Reactions3 Other Heterogeneous Metal Complex Catalysts for C–H Borylation Reactions4 Summary and Outlook

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Kaplunenko, Volodymyr, and Mykola Kosinov. "Electric field - induced catalysis. Laws of field catalysis." InterConf, no. 26(129) (October 18, 2022): 332–51. http://dx.doi.org/10.51582/interconf.19-20.10.2022.037.

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Abstract.The article explores a new type of catalysis - electric field catalysis. The laws of field catalysis are given. The characteristics of the electric field are determined, which set the values of the characteristics of the field catalysis. Field catalysis and field catalyst do not fit into the traditional definition of catalysis and catalyst, which may require a revision of the terminology of catalysis. The field is a more versatile catalyst compared to material catalysts, both in terms of its application to a wider range of chemical reactions, and in the ability to control the rate and selectivity. It is shown that a common donor-acceptor mechanism of catalysis is realized in heterogeneous and field catalysis. Generalized formulas are obtained, from which, as partial results, the laws of heterogeneous and field catalysis follow. New definitions of catalyst and field catalysis are given. The class of material catalysts has been expanded and supplemented with field catalysts.

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Lomic, Gizela, Erne Kis, Goran Boskovic, and Radmila Marinkovic-Neducin. "Application of scanning electron microscopy in catalysis." Acta Periodica Technologica, no. 35 (2004): 67–77. http://dx.doi.org/10.2298/apt0435067l.

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A short survey of various information obtained by scanning electron microscopy (SEM) in the investigation of heterogeneous catalysts and nano-structured materials have been presented. The capabilities of SEM analysis and its application in testing catalysts in different fields of heterogeneous catalysis are illustrated. The results encompass the proper way of catalyst preparation, the mechanism of catalyst active sites formation catalysts changes and catalyst degradation during their application in different chemical processes. Presented SEM pictures have been taken on a SEM JOEL ISM 35 over 25 years of studies in the field of heterogeneous catalysis.

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Shetty, Apoorva, Vandana Molahalli, Aman Sharma, and Gurumurthy Hegde. "Biomass-Derived Carbon Materials in Heterogeneous Catalysis: A Step towards Sustainable Future." Catalysts 13, no. 1 (December 23, 2022): 20. http://dx.doi.org/10.3390/catal13010020.

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Biomass-derived carbons are emerging materials with a wide range of catalytic properties, such as large surface area and porosity, which make them ideal candidates to be used as heterogeneous catalysts and catalytic supports. Their unique physical and chemical properties, such as their tunable surface, chemical inertness, and hydrophobicity, along with being environmentally friendly and cost effective, give them an edge over other catalysts. The biomass-derived carbon materials are compatible with a wide range of reactions including organic transformations, electrocatalytic reactions, and photocatalytic reactions. This review discusses the uses of materials produced from biomass in the realm of heterogeneous catalysis, highlighting the different types of carbon materials derived from biomass that are potential catalysts, and the importance and unique properties of heterogeneous catalysts with different preparation methods are summarized. Furthermore, this review article presents the relevant work carried out in recent years where unique biomass-derived materials are used as heterogeneous catalysts and their contribution to the field of catalysis. The challenges and potential prospects of heterogeneous catalysis are also discussed.

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Yam, Kah Meng, Na Guo, Zhuoling Jiang, Shulong Li, and Chun Zhang. "Graphene-Based Heterogeneous Catalysis: Role of Graphene." Catalysts 10, no. 1 (January 1, 2020): 53. http://dx.doi.org/10.3390/catal10010053.

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Graphene, the reincarnation of a surface, offers new opportunities in catalytic applications, not only because of its peculiar electronic structure, but also because of the ease of modulating it. A vast number of proposals have been made to support this point, but there has been a lack of a systematic understanding of the different roles of graphene, as many other reviews published have focused on the synthesis and characterization of the various graphene-based catalysts. In this review, we surveyed the vast literature related to various theoretical proposals and experimental realizations of graphene-based catalysts to first classify and then elucidate the different roles played by graphene in solid-state heterogeneous catalysis. Owing to its one-atom thickness and zero bandgap with low density of states around Fermi level, graphene has great potential in catalysis applications. In general, graphene can function as a support for catalysts, a cover to protect catalysts, or the catalytic center itself. Understanding these functions is important in the design of catalysts in terms of how to optimize the electronic structure of the active sites for particular applications, a few case studies of which will be presented for each role.

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Li, Shangkun, Rizwan Ahmed, Yanhui Yi, and Annemie Bogaerts. "Methane to Methanol through Heterogeneous Catalysis and Plasma Catalysis." Catalysts 11, no. 5 (May 1, 2021): 590. http://dx.doi.org/10.3390/catal11050590.

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Direct oxidation of methane to methanol (DOMTM) is attractive for the increasing industrial demand of feedstock. In this review, the latest advances in heterogeneous catalysis and plasma catalysis for DOMTM are summarized, with the aim to pinpoint the differences between both, and to provide some insights into their reaction mechanisms, as well as the implications for future development of highly selective catalysts for DOMTM.

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Scholten, J. J. F. "Heterogeneous catalysis." Applied Catalysis 16, no. 1 (April 1985): 130–32. http://dx.doi.org/10.1016/s0166-9834(00)84084-1.

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Dissertations / Theses on the topic "Heterogeneous catalysis"

Meadows, G. R. "Heterogeneous redox catalysis." Thesis, Swansea University, 1993. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.638165.

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The practical importance of heterogeneous redox catalysis to many industrial processes has been well-documented over the past decade. Although there has been much technological progress in fields such as mineralogy, electrodeless plating, chlor-alkali production, photographic development, hydrometallurgy and many artificial solar to chemical energy conversion systems, the fundamental processes involved are not always fully understood. There is a need, therefore, to investigate these processes further. Chapter 3 investigates the abilities of different carbon black materials to act as catalysts for the oxidation of brine to chlorine by ceric ions. The kinetics are studied as a function of various experimental parameters, a reaction mechanism is proposed and these results are readily interpreted using an electrochemical model. Chapter 4 follows on from Chapter 3 by extending the investigation to include a study of all the three forms of crystalline carbon (graphite, diamond and C₆₀) as chlorine catalysts. This chapter reports the first example of C₆₀ acting as a redox catalyst. Chapter 5 reports the kinetics and mechanism of a rare example of reversible heterogeneous redox catalysis, in which the oxidation of ruthenium (II) tris (2,2'-bipyridine) ions by thallic ions in nitric acid is catalysed by a dispersion of ruthenium dioxide hydrate. The reaction kinetics fit an electrochemical model of reversible heterogeneous redox catalysis, assuming the kinetics are diffusion-controlled. Chapter 6 similarly investigates the use of a variety of platinum powder dispersions to act as catalysts for the reaction studied in Chapter 5. It also includes a study to show that inert metal oxides can be used as antiflocculants to enhance the rate of heterogeneous catalysis by platinum group metals of this reaction, as well as irreversible redox reactions, such as water and brine oxidation. Chapter 7 describes a novel route for the removal of harmful bromate ions from drinking water. The reaction kinetics are studied both in water and in the presence of organic pollutants and an electrochemical model, in which the two participating redox couples are both electrochemically irreversible, is used to interpret the observed kinetics.

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Xu, Jiahui. "Catalytic properties of nano ceria in heterogeneous catalysis." Thesis, University of Oxford, 2010. http://ora.ox.ac.uk/objects/uuid:02e68ff9-ce28-475a-bd08-6b60bcda64e7.

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There have been many applications of cerium oxide in oxidation catalysis but the understanding of its role in catalysis is rather limited. This research is concerned with the use of nano-size cerium oxide in methane steam reforming reaction. It is found that addition of cerium oxide to the commercial supported Ni catalysts can dramatically reduce the undesirable carbon deposition (through surface oxidation), which is thermodynamically favorable under low steam conditions. In order to understanding the fundamental role of oxidation activity of the cerium oxide, different sizes of nano-crystallined cerium oxides have been carefully prepared by micro-emulsion technique. Their reactivity is clearly shown to be size dependent. We found that ceria particle sizes of lower than 5.1 nm are able to activate molecular oxygen, which accounts for the unprecedentedly reported critical size effect on oxidation. Characterizations by EPR, XPS, TPR suggest that a substantially large quantity of adsorbed oxygen species (O₂ ^-) is preferentially formed in the small size ceria from air. Also, it is found that the oxygen vacancies are formed in the interface of metal and oxide, and the strength of the metal oxide interaction may influence the formation of the efficient oxygen vacancies, which are responsible for the adsorbed surface oxygen.

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Guo, Chris. "Alkane Oxidation Catalysis by Homogeneous and Heterogeneous Catalyst." Thesis, The University of Sydney, 2005. http://hdl.handle.net/2123/622.

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Abstract Cobalt-based complexes are widely used in industry and organic synthesis as catalysts for the oxidation of hydrocarbons. The Co/Mn/Br (known as "CAB system") catalyst system is effective for the oxidation of toluene. The Co/Mn/Br/Zr catalyst system is powerful for the oxidation of p-xylene, but not for the oxidation of toluene. [Co3O(OAc)5(OH)(py)3][PF6] (Co 3+ trimer 5) is more effective than [Co3O(OAc)6(py)3][PF6] (Co 3+ trimer 6) as a catalyst in the CAB catalyst system. Higher temperatures favour the oxidation of toluene. Zr 4+ does not enhance the oxidation of toluene. Zr 4+ could inhibit the oxidation of toluene in the combination of Co/Br/Zr, Co/Mn/Zr or Co/Zr. NHPI enhances the formation of benzyl alcohol, but the formation of other by-products is a problem for industrial processes. Complex(es) between cobalt, manganese and zirconium might be formed during the catalytic reaction. However, attempts at the preparation of complexes consisting of Co/Zr or Mn/Zr or Co3ZrP or Co8Zr4 clusters failed. The oxidation of cyclohexane to cyclohexanone and cyclohexanol is of great industrial significance. For the homogeneous catalysis at 50 o C and 3 bar N2 pressure, the activity order is: Mn(OAc)3 �2H2O > Mn12O12 cluster > Co 3+ trimer 6 > [Co3O(OAc)3(OH)2(py)5][PF6]2 (Co 3+ trimer 3) > Co 3+ trimer 5 > Co(OAc)2 �4H2O > [Co2(OAc)3(OH)2(py)4][PF6]-asym (Co dimerasym) > [Co2(OAc)3(OH)2(py)4][PF6]-sym (Co dimersym); whereas [Mn2CoO(OAc)6(py)3]�HOAc (Mn2Co complex) and zirconium(IV) acetate hydroxide showed almost no activity under these conditions. But at 120 o C and 3 bar N2 pressure, the activity order is changed to: Co dimerasym > Co(OAc)2 �4H2O > Co trimer 3 and Mn(OAc)3 �2H2O > Co 3+ trimer 6 > Mn2Co complex > Co 3+ trimer 5 > Co dimersym > Mn12O12 cluster. The molar ratio of the products was close to cyclohexanol/cyclohexanone=2/1. Mn(II) acetate and zirconium(IV) acetate hydroxide showed almost no activity under these conditions. Among those cobalt dimers and trimers, only the cobalt dimerasym survived after the stability tests, this means that [Co2(OAc)3(OH)2(py)4][PF6]-asym might be the active form for cobalt(II) acetate in the CAB system. Metal-substituted (silico)aluminophosphate-5 molecular sieves (MeAPO-5 and MeSAPO-5) are important heterogeneous catalysts for the oxidation of cyclohexane. The preparation of MeAPO-5 and MeSAPO-5 and their catalytic activities were studied. Pure MeAPO-5 and MeSAPO-5 are obtained and characterised. Four new pairs of bimetal-substituted MeAPO-5 and MeSAPO-5(CoZr, MnZr, CrZr and MnCo) were prepared successfully. Two novel trimetal-subtituted MeAPO-5 and MeSAPO-5 (MnCoZr) are reported here. Improved methods for the preparation of four monometal-substituted MeAPO-5 (Cr, Co, Mn and Zr) and for CoCe(S)APO-5 and CrCe(S)APO-5 are reported. Novel combinational mixing conditions for the formation of gel mixtures for Me(S)APO-5 syntheses have been developed. For the oxidation of cyclohexane by TBHP catalysed by MeAPO-5 and MeSAPO-5 materials, CrZrSAPO-5 is the only active MeSAPO-5 catalyst among those materials tested under conditions of refluxing in cyclohexane. Of the MeAPO-5 materials tested, whereas CrCeSAPO-5 has very little activity, CrZrAPO-5 and CrCeAPO-5 are very active catalysts under conditions of refluxing in cyclohexane. MnCoAPO-5, MnZrAPO-5 and CrAPO-5 are also active. When Cr is in the catalyst system, the product distribution is always cyclohexanone/cyclohexanol equals 2-3)/1, compared with 1/2 for other catalysts. For MeAPO-5, the activity at 150 o C and 10 bar N2 pressure is: CrZrAPO-5 > CrCeAPO-5 > CoZrAPO-5. For MeAPO-5 and MeSAPO-5, at 150 o C and 13 bar N2 pressure, the selectivity towards cyclohexanone is: CrZrAPO-5 > CrZrSAPO-5 > CrCeAPO-5 > CrAPO-5 > MnCoAPO-5 > MnZrAPO-5; and the selectivity towards cyclohexanol is: MnZrAPO-5 > CrZrAPO-5 > MnCoAPO-5 > CrZrSAPO-5 > CrCeAPO-5 > CrAPO-5. Overall the selectivity towards the oxidation of cyclohexane is: CrZrAPO-5 > CrZrSAPO-5 > CrCeAPO-5 > CrAPO-5 > MnCoAPO-5 > MnZrAPO-5. The amount of water in the system can affect the performance of CrCeAPO-5, but has almost no effect on CrZrAPO-5. Metal leaching is another concern in potential industrial applications of MeAPO-5 and MeSAPO-5 catalysts. The heterogeneous catalysts prepared in the present work showed very little metal leaching. This feature, coupled with the good selectivities and effectivities, makes them potentially very useful.

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Guo, Chris. "Alkane Oxidation Catalysis by Homogeneous and Heterogeneous Catalyst." University of Sydney. Chemistry, 2005. http://hdl.handle.net/2123/622.

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Richardson, John Michael. "Distinguishing between surface and solution catalysis for palladium catalyzed C-C coupling reactions: use of selective poisons." Diss., Georgia Institute of Technology, 2008. http://hdl.handle.net/1853/22704.

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This work focuses on understanding the heterogeneous/homogeneous nature of the catalytic species for a variety of immobilized metal precatalysts used for C-C coupling reactions. These precatalysts include: (i) tethered organometallic palladium pincer complexes, (ii) an encapsulated small molecule palladium complex in a polymer matrix, (iii) mercapto-modified mesoporous silica metalated with palladium acetate, and (iv) amino-functionalized mesoporous silicas metalated with Ni(II). As part of this investigation, the use of metal scavengers as selective poisons of homogeneous catalysis is introduced and investigated as a test for distinguishing heterogeneous from homogeneous catalysis. The premise of this test is that insoluble materials functionalized with metal binding sites can be used to selectively remove soluble metal, but will not interfere with catalysis from immobilized metal. In this way the test can definitely distinguish between surface and solution catalysis of immobilized metal precatalysts. This work investigates three different C-C coupling reactions catalyzed by the immobilized metal precatalysts mentioned above. These reactions include the Heck, Suzuki, and Kumada reactions. In all cases it is found that catalysis is solely from leached metal. Three different metal scavenging materials are presented as selective poisons that can be used to determine solution vs. surface catalysis. These selective poisons include poly(vinylpyridine), QuadrapureTM TU, and thiol-functionalized mesoporous silica. The results are contrasted against the current understanding of this field of research and subtleties of tests for distinguishing homogeneous from heterogeneous catalysis are presented and discussed.

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Svengren, Henrik. "Water splitting by heterogeneous catalysis." Doctoral thesis, Stockholms universitet, Institutionen för material- och miljökemi (MMK), 2017. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-148181.

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A sustainable solution for meeting the energy demands at our planet is by utilizing wind-, solar-, wave-, thermal-, biomass- and hydroelectric power. These renewable and CO2 emission-free energy sources are highly variable in terms of spatial and temporal availability over the Earth, introducing the need for an appropriate method of storing and carrying energy. Hydrogen has gained significant attention as an energy storage- and carrier media because of the high energy density that is exploited within the ‘power-to-gas’ process chain. A robust way of producing sustainable hydrogen is via electrochemical water splitting. In this work the search for new heterogeneous catalyst materials with the aim of increasing energy efficiency in water splitting has involved methods of both electrochemical water splitting and chemical water oxidation. Some 21 compounds including metal- oxides, oxofluorides, oxochlorides, hydroxide and metals have been evaluated as catalysts. Two of these were synthesized directly onto conductive backbones by hydrothermal methods. Dedicated electrochemical cells were constructed for appropriate analysis of reactions, with one cell simulating an upscale unit accounting for realistic large scale applications; in this cell gaseous products are quantified by use of mass spectrometry. Parameters such as real time faradaic efficiency, production of H2 and O2 in relation to power input or overpotentials, Tafel slopes, exchange current density and electrochemical active surface area as well as turnover numbers and turnover frequencies have been evaluated. Solubility, possible side reactions, the role of the oxidation state of catalytically active elements and the nature of the outermost active surface layer of the catalyst are discussed. It was concluded that metal oxides are less efficient than metal based catalysts, both in terms of energy efficiency and in terms of electrode preparation methods intended for long time operation. The most efficient material was Ni-Fe hydroxide electrodeposited onto Ni metal foam as conductive backbone. Among the other catalysts, Co3Sb4O6F6 was of particular interest because the compound incorporate a metalloid (Sb) and redox inert F and yet show pronounced catalytic performance. In addition, performance of materials in water splitting catalysis has been discussed on the basis of results from electron microscopy, solubility experiments and X-ray diffraction data.

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Kumarasamy, Puvaneswary. "Heterogeneous catalysis for methane oxidation." Thesis, Brunel University, 2000. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.326890.

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Durgun, Gülay Artok Levent. "Short-time suzuki reactions of arly halides catalyzed by palladium-loaded NaY zeolite under aerobic conditions/." [s.l.]: [s.n.], 2006. http://library.iyte.edu.tr/tezler/master/kimya/T000528.pdf.

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Thesis (Master)--İzmir Institute of Technology, İzmir, 2006.
Keywords:Suzuki reactions, palladium, NaYzeolite, heterogeneous catalyst, C-C coupling. Includes bibliographical references (leaves. 71-81).

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Peneau, Virginie. "Activation of hydrocarbons and their catalytic oxidation by heterogeneous catalysis." Thesis, Cardiff University, 2014. http://orca.cf.ac.uk/74614/.

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The targets of this thesis were the selective oxidation of hydrocarbons under mild conditions, using cheap and environmentally friendly oxidants and initiators. Three projects are treated; the oxidation of an alkane using O2 and a co-oxidant, the oxidation of toluene using TBHP (tert-butyl hydroperoxide) and finally the oxidation of propane using hydrogen peroxide. C-H bond activation, O2 activation and high conversion with high selectivity were essential points to investigate. In the first project, alkane oxidation was studied in presence of a co-oxidant. The co-oxidant has for purpose to initiate the activation of the alkane and O2, as well as prevent the over-oxidation of the alkane. The co-oxidation of octane using benzaldehyde has been investigated using 1 wt. % AuPd/ C catalyst; the hypothesis is that benzaldehyde oxidation would use a radical mechanism able to activate octane to octanol. Also, the coupling of octanol with activated benzaldehyde would prevent the over-oxidation of octanol by the formation of an ester; octylbenzoate. The aim of the second study was to investigate the selective oxidation of toluene using TBHP at 80 °C with supported noble metal nanoparticle catalysts prepared by sol-immobilisation techniques. Au, Pd and Pt have been use to form mono, bi and trimetallic catalysts of different morphology supported on C and TiO2. These catalysts have been tested for toluene oxidation. The catalyst showing the best activity has been used for further investigation such as reuse test, using H2O2 as oxidant or O2 activation. The third project target was to oxidise propane using H2O2 in mild conditions. 2.5 wt. % Fe/ ZSM-5 (30) has been used to investigate reaction conditions in order to optimise the system. This catalyst has been acid treated; standard and treated catalysts were characterised and analysed to identify the structure and active sites. Role of supports and metals (mono and bimetallic) has been explored in order to improve this system.

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Posada, Pérez Sergio. "Heterogeneous catalysis of green chemistry reactions on molybdenum carbide based catalysts." Doctoral thesis, Universitat de Barcelona, 2018. http://hdl.handle.net/10803/552405.

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Our society has a problem with the use of fossil fuels, due to the vast and exceeding emissions derived from human activities. Two ways could be consider to mitigate these harmful effects. On the one hand, the capture, activation, and conversion of these hazardous gases towards valuable compounds, and on the other hand, the substitution of fossil fuels for renewable energies. This thesis encompasses the study of two different green chemistry reactions to convert the most abundant greenhouse gas in Earth's atmosphere and the production of a new environmental friendly fuel, the hydrogen. In the current search for new catalysts, Transition Metal Carbides (TMCs) have arisen as an appealing alternative, because their exhibit broad and amazing physical and chemical properties and their low cost. In particular, titanium carbide (001) was proposed from experimental and theoretical points of view as active catalyst and support of small metal particles for CO2 hydrogenation to methanol and water gas shift reaction. However, given that titanium carbide is a cumbersome support to be used in applications due to the difficulty of obtaining nanoparticles on working conditions, we have carried out these reactions on cubic δ-MoC (001) and orthorhombic β-Mo2C (001) surfaces. The adsorption and activation of a CO2 molecule on cubic δ-MoC (001) and orthorhombic β-Mo2C (001) surfaces have been investigated by means of periodic density functional theory based calculations using the Perdew-Burke-Ernzerhof exchange-correlation functional showing that both surface are promising catalyst for CO2 conversion because they are able to activate and bend the CO2 molecule. The β- Mo2C (001) surface is able to dissociate the CO2 molecule easily, with a low energy barrier, whereas δ-MoC (001) surface activates CO2 but it does not promote its direct dissociation. Experiments accomplished by the group of Dr. Jose Rodriguez revealed that CO and methane are the main products of the CO2 hydrogenation using β-Mo2C (001) as catalyst, and the amount of methanol is lower. On the other hand, only CO and methanol are produced using δ-MoC (001). Experiments revealed that the deposition of small copper particles on the carbide surfaces increase drastically the catalysts' activity and selectivity, which was demonstrated by theoretical calculations. On β-Mo2C, the amount of CO and methanol increase whilst the amount of methane decrease, since copper blocks reactive sites on surface. This is a positive fact since copper avoid the excessive oxygen deposition, which deactivated the catalysts. On the other hand, the deposition of copper on δ-MoC (001) increases a lot the amount of CO and methanol. In summary, our combining DFT- experimental study proposed the Cu/δ-MoC as promising catalyst for CO2 hydrogenation due to its activity (the amount of products is superior than other TMCS, metals, and the model of commercial catalysts), selectivity (only CO and methanol are produced), and stability ( this catalysts is not deactivated by the oxygen deposition). The results obtained in the first part of the thesis were used to study the water gas shift reaction. Given that the excellent features, experiments proposed Au supported on δ-MoC (001) as catalysts. Our theoretical calculations demonstrated that clean δ-MoC (001) is not a good catalysts for WGS, due to the fact that the reverse reactions are favorable respect the direct ones, which implies that the amount of products is lower. Nevertheless, the deposition of Au clusters change the reaction mechanism, favoring the direct barriers instead of reverse ones, and increasing the amount of produced H2. In summary, this thesis has displayed the prominent role of molybdenum carbides as support of small metal particles to catalyze green chemistry reactions.
En aquesta tesi es mostra un treball computacional sobre l'ús de catalitzadors econòmics per a la conversió de CO2, un perillós gas d'efecte hivernacle i també per a la producció d'hidrogen, el combustible del futur. En la recerca actual de nous catalitzadors, els carburs de metalls de transició (TMC) han sorgit com una alternativa atractiva pel el seu baix cost i per exhibir excel·lents propietats físiques i químiques. En aquest treball utilitzarem com a catalitzadors les superfícies cúbica δ-MoC (001) i ortoròmbica β-Mo2C (001). L'adsorció de la molècula de CO2 mostra que ambdues superfícies són capaces d'activar i doblegar la molècula. La superfície β-Mo2C (001) és capaç de dissociar fàcilment la molècula de CO2, mentre que la superfície δ-MoC (001) activa CO2 però no la dissocia. Els experiments realitzats pel grup del Dr. Jose Rodriguez van revelar que el CO i el metà són els principals productes de la hidrogenació de CO2 utilitzant β-Mo2C (001) com a catalitzador, i la quantitat de metanol és menor. D'altra banda, només es produeixen CO i metanol utilitzant δ-MoC (001). La deposició de partícules de coure a les superfícies del carbur augmenta dràsticament l'activitat dels catalitzadors, cosa que es va demostrar mitjançant càlculs teòrics. A la superfície β-Mo2C, la quantitat de CO i metanol augmenten mentre que la quantitat de metà disminueix. D'altra banda, la deposició de coure a δ-MoC (001) augmenta molt la quantitat de CO i metanol. En resum, el nostre estudi proposa el Cu/δ-MoC com a prometedor catalitzador de la hidrogenació de CO2 a causa de la seva activitat (la quantitat de productes és superior a la resta de TMCS, metalls i el model de catalitzadors comercials), selectivitat (només el CO i el metanol es produeixen) i l'estabilitat (aquests catalitzadors no es desactiven per la deposició d'oxigen). Tenint en compte els resultats previs, es va proposar la deposició d'or en la superfície δ-MoC per a la producció d'hidrogen. Els càlculs teòrics demostren que la superfície δ-MoC (001) no és un bon catalitzador per WGS, però la deposició dels clústers d'or canvia el mecanisme de reacció i augmenta la quantitat d'H2 produïda.

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Books on the topic "Heterogeneous catalysis"

Ma, Zhen, and Sheng Dai, eds. Heterogeneous Gold Catalysts and Catalysis. Cambridge: Royal Society of Chemistry, 2014. http://dx.doi.org/10.1039/9781782621645.

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Boreskov, Georgiĭ Konstantinovich. Heterogeneous catalysis. New York: Nova Science Publishers, 2003.

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Luque, Rafael, and Anand S. Burange. Heterogeneous Catalysis. Washington, DC, USA: American Chemical Society, 2022. http://dx.doi.org/10.1021/acsinfocus.7e5032.

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Boreskov, Georgiĭ Konstantinovich. Heterogeneous catalysis. Novosibirsk: Boreskov Institute of Catalysis SB RAS, 2002.

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J, Thomas W., ed. Principles and practice of heterogeneous catalysis. Weinheim: VCH, 1996.

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van Santen, Rutger A., ed. Modern Heterogeneous Catalysis. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2017. http://dx.doi.org/10.1002/9783527810253.

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library, Wiley online, ed. Handbook of heterogeneous catalysis. 2nd ed. Weinheim: Wiley-VCH, 2008.

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B, Gunther Mathias, ed. Heterogeneous catalysis research progress. New York: Nova Science Publishers, 2008.

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L, Marmaduke Dieter, ed. Progress in heterogeneous catalysis. Hauppauge, N.Y: Nova Science Publishers, 2008.

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J, Hargreaves J. S., Jackson S. D, and Webb Geoff, eds. Isotopes in heterogeneous catalysis. London: Imperial College Press, 2006.

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Book chapters on the topic "Heterogeneous catalysis"

Lefferts, Leon, Emiel Hensen, and Hans Niemantsverdriet. "Heterogeneous Catalysis." In Catalysis, 15–71. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2017. http://dx.doi.org/10.1002/9783527810932.ch2.

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Blaser, Hans-Ulrich, and Martin Studer. "Heterogeneous Catalysis." In Comprehensive Asymmetric Catalysis I–III, 1353–63. Berlin, Heidelberg: Springer Berlin Heidelberg, 1999. http://dx.doi.org/10.1007/978-3-642-58571-5_15.

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Pei, Yuchen, and Wenyu Huang. "Heterogeneous Catalysis." In Bimetallic Nanostructures, 360–424. Chichester, UK: John Wiley & Sons, Ltd, 2018. http://dx.doi.org/10.1002/9781119214618.ch11.

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Osawa, Tsutomu. "Heterogeneous Catalysis." In Modern Organonickel Chemistry, 273–305. Weinheim, FRG: Wiley-VCH Verlag GmbH & Co. KGaA, 2005. http://dx.doi.org/10.1002/3527604847.ch10.

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Fan, Li, and Kaoru Fujimoto. "Heterogeneous Catalysis." In Chemical Synthesis Using Supercritical Fluids, 388–413. Weinheim, Germany: Wiley-VCH Verlag GmbH, 2007. http://dx.doi.org/10.1002/9783527613687.ch18.

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Kanitkar, S. R., B. Dutta, Md A. Abedin, X. Bai, and D. J. Haynes. "Advanced manufacturing in heterogeneous catalysis." In Catalysis, 1–41. Royal Society of Chemistry, 2024. http://dx.doi.org/10.1039/bk9781837672035-00001.

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Heterogeneous catalysis is one of the major pillars of the chemical and refining industry that has evolved significantly from the need for more efficient and sustainable industrial processes. Advanced manufacturing will play an important role in driving this evolution through its ability to create or design more favourable interactions with catalytic components that can result in more active and stable catalysts, efficient catalytic processes, and sustainable reaction systems. This chapter provides an overview of recent progress that covers various catalyst coating methods, application of 3D printing in catalytic supports and reactor components, and process intensification through additive manufacturing. The work also provides a brief overview on artificial intelligence/machine learning in heterogeneous catalysis that is helping to make/screen catalysts more efficiently. The work further highlights the impacts and challenges of implementing advanced manufacturing methods.

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Atkins, Peter, Julio de Paula, and David Smith. "Heterogeneous catalysis." In Elements of Physical Chemistry. Oxford University Press, 2016. http://dx.doi.org/10.1093/hesc/9780198727873.003.0043.

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This chapter studies heterogeneous catalysis, in which the catalyst and the reagents are in different phases. A common example is a solid that increases the rate of a gas-phase reaction. The solid provides a surface to which the reactants bind and so facilitates encounters between reactants. In general, heterogeneous catalysts are highly selective and to find an appropriate catalyst each reaction must be investigated individually. Two techniques have revolutionized the study of surfaces in recent years: scanning tunnelling microscopy (STM) and atomic force microscopy (AFM). Ultimately, the key to the operation of a heterogeneous catalyst is the attachment of molecules to a surface by the process called adsorption. The chapter then differentiates between physisorption and chemisorption, before looking at adsorption isotherms. It also considers the mechanisms of surface-catalysed reactions, including the Langmuir–Hinshelwood mechanism and the Eley–Rideal mechanism.

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Atkins, Peter, Julio de Paula, and James Keeler. "Heterogeneous catalysis." In Atkins’ Physical Chemistry. Oxford University Press, 2022. http://dx.doi.org/10.1093/hesc/9780198847816.003.0109.

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This chapter explains how the chemical industry relies on the use of efficient catalysts to facilitate a wide variety of transformations, noting that the majority of these catalysts involve reactions at surfaces. It describes how certain concepts relating to adsorption and desorption can be extended to provide a way to model surface reactions. It also points out that the chemical industry relies on heterogeneous catalysis for many of its most important large-scale processes. The chapter highlights heterogeneous catalysis, which commonly involves chemisorption of one or more reactants and a consequent lowering of the activation energy. It builds on the discussion of reaction mechanisms and uses the Arrhenius equation and adsorption isotherms.

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Atkins, Peter, Julio de Paula, and Ronald Friedman. "Heterogeneous catalysis." In Physical Chemistry: Quanta, Matter, and Change. Oxford University Press, 2013. http://dx.doi.org/10.1093/hesc/9780199609819.003.0125.

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Contents Mechanisms of heterogeneous catalysis 931 Unimolecular reactions 932 Surface-catalysed unimolecular decomposition 932 The Langmuir-Hinshelwood mechanism 932 Writing a rate law based on the Langmuir-Hinshelwood mechanism 932 The Eley–Rideal mechanism 933 The Eley–Rideal...

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Bitter, Harry. "Heterogeneous Catalysis." In Contemporary Catalysis: Science, Technology, and Applications, 175–88. The Royal Society of Chemistry, 2017. http://dx.doi.org/10.1039/9781849739900-00175.

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Heterogeneous catalysts are plentiful in the chemical industry. In this chapter, a short overview will be given on the steps needed to convert a reactant into a product over a heterogeneous catalyst. In addition, an introduction will be given on the way a catalyst assists in the making and breaking of chemical bonds. The role of the support on the performance of a catalyst either via electronic effects or adsorption effects will be discussed.

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Conference papers on the topic "Heterogeneous catalysis"

VEDRINE, JACQUES C. "HETEROGENEOUS OXIDATION CATALYSIS ON METALLIC OXIDES." In Proceedings of the NIOK (Netherlands Institute for Catalysis Research) Course on Catalytic Oxidation. WORLD SCIENTIFIC, 1995. http://dx.doi.org/10.1142/9789814503884_0003.

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SHELDON, R. A. "HETEROGENEOUS CATALYSIS OF LIQUID PHASE OXIDATIONS." In Proceedings of the NIOK (Netherlands Institute for Catalysis Research) Course on Catalytic Oxidation. WORLD SCIENTIFIC, 1995. http://dx.doi.org/10.1142/9789814503884_0009.

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Wüthrich, Kurt, R. H. Grubbs, T. Visart de Bocarmé, and Anne De Wit. "Heterogeneous Catalysis and Characterization of Catalyst Surfaces." In 24th International Solvay Conference on Chemistry. WORLD SCIENTIFIC, 2018. http://dx.doi.org/10.1142/9789813237179_others02.

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Haber, Jerzy. "MECHANISM OF HETEROGENEOUS CATALYTIC OXIDATION." In Proceedings of the NIOK (Netherlands Institute for Catalysis Research) Course on Catalytic Oxidation. WORLD SCIENTIFIC, 1995. http://dx.doi.org/10.1142/9789814503884_0002.

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MILLS, P. L., M. P. HAROLD, and J. J. LEROU. "INDUSTRIAL HETEROGENEOUS GAS-PHASE OXIDATION PROCESSES." In Proceedings of the NIOK (Netherlands Institute for Catalysis Research) Course on Catalytic Oxidation. WORLD SCIENTIFIC, 1995. http://dx.doi.org/10.1142/9789814503884_0013.

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ERTL, GERHARD. "HETEROGENEOUS CATALYSIS: WHERE ARE WE?" In 24th International Solvay Conference on Chemistry. WORLD SCIENTIFIC, 2018. http://dx.doi.org/10.1142/9789813237179_0012.

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HELVEG, STIG. "ELECTRON MICROSCOPY IN HETEROGENEOUS CATALYSIS." In 24th International Solvay Conference on Chemistry. WORLD SCIENTIFIC, 2018. http://dx.doi.org/10.1142/9789813237179_0030.

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VAN SANTEN, R. A. "SELECTIVE CATALYTIC OXIDATION BY HETEROGENEOUS TRANSITION METAL CATALYSTS." In Proceedings of the NIOK (Netherlands Institute for Catalysis Research) Course on Catalytic Oxidation. WORLD SCIENTIFIC, 1995. http://dx.doi.org/10.1142/9789814503884_0004.

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NØRSKOV, JENS K. "TOWARDS A THEORY OF HETEROGENEOUS CATALYSIS." In 24th International Solvay Conference on Chemistry. WORLD SCIENTIFIC, 2018. http://dx.doi.org/10.1142/9789813237179_0014.

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Willetts, D. V., and M. R. Harris. "Homogeneous Catalysis for CO2 Lasers." In Coherent Laser Radar. Washington, D.C.: Optica Publishing Group, 1991. http://dx.doi.org/10.1364/clr.1991.mc2.

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The attainment of long sealed gas lifetimes is one of the few outstanding areas of carbon dioxide laser technology which need to be addressed. Electron impact dissociation of carbon dioxide can be overcome by use of a catalyst to recombine the carbon monoxide and oxygen so formed. Heterogeneous catalysts have been extensively studied; although effective, such catalysts necessarily introduce problems of dust release in a vibrating environment and impedance to gas flow. In addition, attention must be paid to isotopic exchange between catalyst and gas. These difficulties disappear if a suitable homogenous catalyst can be found.

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Reports on the topic "Heterogeneous catalysis"

Surko, Clifford M. Spatiotemporal Dynamics in Heterogeneous Catalysis. Fort Belvoir, VA: Defense Technical Information Center, July 2001. http://dx.doi.org/10.21236/ada389981.

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Francisco Zaera. Molecular-Level Design of Heterogeneous Chiral Catalysis. Office of Scientific and Technical Information (OSTI), March 2012. http://dx.doi.org/10.2172/1036747.

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Hervier, Antoine. Charge Transfer and Support Effects in Heterogeneous Catalysis. Office of Scientific and Technical Information (OSTI), December 2011. http://dx.doi.org/10.2172/1076791.

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Sachdeva, Yesh P. At-Resin Research: Biotechnical Support and Heterogeneous Catalysis. Fort Belvoir, VA: Defense Technical Information Center, July 1990. http://dx.doi.org/10.21236/ada226076.

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Schneider, William. Towards Realistic Models of Heterogeneous Catalysis: Simulations of Oxidation Catalysis from First Principles. Office of Scientific and Technical Information (OSTI), December 2021. http://dx.doi.org/10.2172/1835236.

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Rioux, Robert M. Dynamic Chemical and Structural Changes of Heterogeneous Catalysts Observed in Real Time: From Catalysis-Induced Fluxionality to Catalytic Cycles. Fort Belvoir, VA: Defense Technical Information Center, November 2014. http://dx.doi.org/10.21236/ada613847.

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Boszormenyi, Istvan. Model heterogeneous acid catalysts and metal-support interactions: A combined surface science and catalysis study. Office of Scientific and Technical Information (OSTI), May 1991. http://dx.doi.org/10.2172/10115869.

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Boszormenyi, I. Model heterogeneous acid catalysts and metal-support interactions: A combined surface science and catalysis study. Office of Scientific and Technical Information (OSTI), May 1991. http://dx.doi.org/10.2172/6827194.

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Li, Xinle. Active sites engineering of metal-organic frameworks for heterogeneous catalysis. Office of Scientific and Technical Information (OSTI), December 2016. http://dx.doi.org/10.2172/1409199.

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Ceyer, S. T. High pressure heterogeneous catalysis in a low pressure UHV environment. Office of Scientific and Technical Information (OSTI), January 1990. http://dx.doi.org/10.2172/6829327.

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