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Low molecular weight alkane-fed solid oxide fuel cells for power and chemicals cogeneration

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Journal of Energy Chemistry 2023年第5期80卷 711-735,I0015页

作者： Ermete Antolini Scuola di scienza dei materiali Cogoleto 16016GenovaItaly

This paper presents a review of low molecular weight alkane-fed solid oxide fuel cells(SOFCs),which,unlikely the conventional use of SOFCs for only power production,are utilized to cogenerate produce useful chemicals at the same *** cogeneration processes in SOFC have been classified according to the different types of fuel.C_(2)and C_(3)alkenes and synthesis gas are the main cogenerated chemicals together with *** chemicals and energy cogeneration in a fuel cell reactor seems to be an effective alternative to conventional reactors for only chemicals production and conventional fuel cells for only power ***,the use of SOFCs for chemicals and energy cogeneration has proved successful in the industrial setting,the development of new catalysts aimed at obtaining the desired chemicals together with the production of a high amount of energy,and optimizing SOFC operation conditions is still a challenge to enhance system performance and make commercial applications workable.

关键词： Solid oxide fuel cells Alkane Alkene Syngas Cogeneration

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On the Properties of the Forced Unsteady-state Ring Reactor Network

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Chinese Journal of Chemical Engineering 2004年第3期12卷 408-414页

作者： Davide FISSORE Antonello A.BARRESI Salvatore VELARdi Marco VANNI dipartimento di scienza dei materiali e Ingegneria Chimica Politecnico di Torino Corso Duca degli Abruzzi 24 10129 Torino ItalyDipartimento di Scienza dei Materiali e Ingegneria Chimica Politecnico di Torino Corso Duca degli Abruzzi 24 10129 Torino ItalyDipartimento di Scienza dei Materiali e Ingegneria Chimica Politecnico di Torino Corso Duca degli Abruzzi 24 10129 Torino ItalyDipartimento di Scienza dei Materiali e Ingegneria Chimica Politecnico di Torino Corso Duca degli Abruzzi 24 10129 Torino Italy

The multi-reactors network, a closed sequence of two or more catalytic fixed bed reactors with periodical change of the feed position, was studied by means of numerical simulations. Two advantages of such a reactor configuration, the possibility of exploiting the thermal storage capacity of the catalyst and the optimal temperature profile for exothermic equilibrium-limited reactions, were analyzed. The former feature acting as a regenerative heat exchanger was simulated in the case of the combustion of lean volatile organic compound (VOC) mixtures, with the possibility of multiple stability windows found when rich mixtures are fed. The latter was demonstrated using the methanol synthesis, with the enhancement of the conversion and product selectivity predicted. The influence of the number of the reactors in the network was pointed out. Some results obtained in the reverse-flow reactors were also presented for comparison.

关键词：化学反应器甲醇反应工程学移动床有机化合物

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InN/InGaN quantum dot electrochemical devices:new solutions for energy and health

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National Science Review 2017年第2期4卷 184-195页

作者： Richard Ntzel South China Academy of Advanced Optoelectronics South China Normal University L-NESS and dipartimento di scienza dei materiali Università di Milano-Bicocca

A review is given of the exceptional electrochemical performance of epitaxial InN/InGaN quantum dots(QDs) as photoelectrodes for solar hydrogen generation by water spliting, as biosensor transducers and as anion-selective electrodes, and they are also evaluated as supercapacitor electrodes. he performance is benchmarked against the best performances of other reported materials and nanostructures. A model based on the unique interplay of surface and quantum properties is put forward to understand the boost of catalytic activity and anion selectivity interlinking quantum nanostructure physics with electrochemistry and catalysis. Of equal impact is the direct growth on cheap Si substrates without any bufer layers, allowing novel device designs and integration with Si technology. his makes the InN/InGaN QDs viable, opening up new application ields for Ⅲ-nitride semiconductors.

关键词： quantum dot solar hydrogen biosensor ion-selective electrode supercapacitor InN InGaN

A Few Questions about Single-Atom Catalysts:When Modeling Helps

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Accounts of Materials Research 2022年第9期3卷 986-995页

作者： Giovanni di Liberto Sergio Tosoni Luis A.Cipriano Gianfranco Pacchioni dipartimento di scienza dei materiali Universitàdi Milano-Bicocca20125 MilanoItaly

CONSPECTUS:Single-atom catalysis(SAC)is a fascinating and rapidly growing field in heterogeneous *** less than 20 years,this has become one of the most widely investigated subjects by the catalytic community for various good reasons:the ability to synthesize active catalysts using a minimum amount of precious metals,the expected higher selectivity of SACs compared to assemblies of nanoparticles of variable sizes,and the fact that SACs represent a bridge between homogeneous and heterogeneous catalysis.

关键词： catalysis catalysis sizes

Size-dependent dissociation of small cobalt clusters on ultrathin NaCI films

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Nano Research 2017年第5期10卷 1832-1839页

作者： Zhe Li Hsin-Yi Tiffany Chen Koen Schouteden Thomas Picot Arnaud Hillion Gianfranco Pacchioni Chris Van Haesendonck Ewald Janssens Peter Lievens Laboratory of Solid-State Physics and Magnetism KU Leuven BE-3001 Leuven Belgium Key Laboratory of Materials Modification by Laser Ion and Electron Beams Ministry of Education Dalian University of Technology Dalian 116024 China Department of Engineering and System Science "National Tsing Hua University" Hsinchu 30013 Taiwan China dipartimen to di scienza dei materiali Universita di Milano-Bicocca 1-20125 Milano Italy

Mass-selected anionic cobalt clusters of two different sizes （Co2 and Co13） were deposited onto ultrathin NaC1 films grown on an Au（111） substrate. Using scanning tunneling microscopy experiments and density functional theory simulations, we show that the deposited Co2 cluster dissociates and that the resulting Co atoms dope the NaCI surface by substituting Na ions. In contrast, the larger Co13 cluster does not dissociate and remains stable on top of the NaC1 film. The size- dependent fragmentation of clusters is an important aspect in the understanding of the chemical interaction between size-selected small aggregates of atoms and supporting surfaces.

关键词： cobalt clusters mass selection size-dependentfragmentation scanning tunnelingmicroscopy density functional theory

Microscopic insight into the single step growth of in-plane heterostructures between graphene and hexagonal boron nitride

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Nano Research 2019年第3期12卷 675-682页

作者： Thanh Hai Nguyen Daniele Perilli Mattia Cattelan Hongsheng Liu Francesco Sedona Neil A. Fox Cristiana di Valentin Stefano Agnoli Department of Chemical Science University of Padova Via Francesco Marzolo 1 35131 Padova Ita dipartimento di scienza dei materiali Universita di Milano-Bicocca via R. Cozzi 55 20125 Milano Italy School of Chemistry University of Bristol Cantocks Close Bristol BS81TS UK

Graphene-h-BN hybrid nanostructures are grown in one step on the Pt(111) surface by ultra-high vacuum chemical vapor deposition using a single precursor,the dimethylamino borane *** varying the deposition conditions,different nanostructures ranging from a fully continuous hybrid monolayer to well-separated Janus nanodots can be *** growth starts with heterogeneous nucleation on morphological defects such as Pt step edges and proceeds by the addition of small clusters formed by the decomposition of the dimethylamino borane *** tunneling microscopy measurements indicate that a sharp zigzag in-plane boundary is formed when graphene grows aligned with the Pt substrate and consequently with the h-BN layer as *** graphene is rotated by 30°,the graphene armchair edges are seamlessly connected to h-BN zigzag *** is confirmed by a thorough density functional theory (DFT) *** resolved photoemission spectroscopy (ARPES) data suggests that both h-BN and graphene present the typical electronic structure of self-standing non-interacting materials.

关键词： graphene h-BN heterostructures seanning tunneling microscopy density functional theory (DFT)

ALD growth of ultra-thin Co layers on the topological insulator Sb2Te3

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Nano Research 2020年第2期13卷 570-575页

作者： Emanuele Longo Roberto Mantovan Raimondo Cecchini Michael D.Overbeek Massimo Longo Giovanna Trevisi Laura Lazzarini Graziella Tallarida Marco Fanciulli Charles H.Winter Claudia Wiemer CNR-IMM Unit of Agrate BrianzaVia C.Olivetti 2Agrate Brianza(MB)20864Italy Universitàdegli Studi di Milano-Bicocca Dipartimento di Scienza dei MaterialiVia R.Cozzi 55Milano 20125Italy Department of chemistry Wayne State UniversityDetroitMichigan 48202USA CNR-IMEM Parco Area delle Scienze 37/AParma 43124Italy

Taking the full advantage of the conformal growth characterizing atomic layer deposition(ALD),the possibility to grow Co thin films,with thickness from several tens down to few nanometers on top of a granular topological insulator(TI)Sb2Tes film,exhibiting a quite high surface roughness(2-5 nm),was *** study the Co growth on the Sb2Tes substrate,we performed simultaneous Co depositions also on sputtered Pt substrates for *** conducted a thorough chemical-structural characterization of the Co/Sb2Tes and Co/Pt heterostructures,confirming for both cases,not only an excellent conformality,but also the structural continuity of the Co layers.X-ray diffraction(XRD)and high-resolution transmission electron microscope(HRTEM)analyses evidenced that Co on Sb2Te3 grows preferentially oriented along the[0oe]direction,following the underlying rhombohedric ***,Co crystallizes in a cubic phase oriented along the[111]direction when deposited on *** work shows that,in case of deposition of crystalline materials,the ALD surface selectivity and conformality can be extended to the definition of local epitaxy,where in-plane ordering of the crystal structure and mosaicity of the developed crystallized grains are dictated by the underlying ***,a highly sharp and chemically-pure Co/Sb2Tes interface was evidenced,which is promising for the application of this growth process for spintronics.

关键词： atomic layer deposition X-ray diffraction Co-fcc Co-hep antimony telluride metal organic chemical vapor deposition spintronics

Efficient hexane isomers separation in isoreticular bipyrazolate metal-organic frameworks:The role of pore functionalization

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Nano Research 2021年第2期14卷 532-540页

作者： Rebecca Vismara Corrado di Nicola Rodrigo Gil-San Millan Kostiantyn V.Domasevich Claudio Pettinari Jorge A.R.Navarro Simona Galli dipartimento di scienza e Alta Tecnologiay University delVInsubria 22100 ComoItaly School of Science and Technology University ofCamerino62032 Camerino(MC)Italy Departamento de Quimica Inorganica Universidad de Granada18071 GranadaSpain Taras Shevchenko National University of Kyiv 01601 KyivUkraine School of Pharmacy University of Camerino62032 Camerino(MC)Italy Istituto di Chimica dei Composti Organometallici(ICCOM-CNR) 50019 Sesto FiorentinoItaly Consorzio Interuniversitario Nazionale per la scienza e Tecnologia dei materiali 50121 FirenzeItaly Department of Chemistry University of LiverpoolLiverpool L73NYUK

Hydrocarbons separation in petrochemical industries is a key,energy-consuming stage in the manufacture of high-quality added-value products—hence the need for more efficient materials and environmentally friendly methodologies to improve this *** this context,we have studied the effect of metal-organic frameworks(MOFs)pore functionalization in hexane isomers separation,isolating the robust isoreticular zinc(ll)bipyrazolates Zn(BPZ),showing no pore decoration,Zn(Me_(2)BPZ),the pores of which are decorated with apolar methyl groups,and Zn(BPZ(NH_(2))_(2)),the spacers of which possess polar Lewis-basic functions(H_(2)BPZ=1H,1'H-4,4'-bipyrazole;H_(2)Me_(2)BPZ=3,3'-dimethyl-1H,1'H-4,4'-bipyrazole;H_(2)BPZ(NH_(2))_(2)=3,5-diamino-1H,1'H-4,4'-bipyrazole;DMF=dimethylformamide).After characterizing Zn(BPZ(NH_(2))_(2))as per its crystal structure and thermal behaviour,and all the three MOFs as per their textural properties,we investigated,from the experimental and computational points of view,the impact of the square one-dimensional channels decoration on the separation of the hexane isomers,demonstrating the relevance of pore constrictions in the resolution of the title alkanes mixture.

关键词： adsorption molecular sieving nitrogen-donor ligands gas separation pow der diffraction variable-tem perature pulse gas chromatography

High-temperature dynamic behavior in bulk liquid water： A molecular dynamics simulation study using the OPC and TIP4P-Ew potentials

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Frontiers of physics 2018年第1期13卷 25-39页

作者： Andrea Gabrieli Marco Sant Saeed Izadi Parviz Seifpanahi Shabane Alexey V. Onufriev Giuseppe B. Suffritti dipartimento di Chimica e Farmacia Universita degli Studi di Sassari Via Vienna 2 07100 Sassari Italy Department of Biomedical Engineering and Mechanics Virginia Tech Blacksburgl VA 24060 USA Department of Physics Virginia Tech Blacksburg VA 24060 USA Departments of Computer Science and Physics Virginia Tech Blacksburg VA 24060 USA Consorzio Interuniversitario Nazionale per la scienza e Tecnologia dei materiali (INSTM) Unita di ricerca di Sassari Via Vienna 2 07100 Sassari Italy

Classical molecular dynamics simulations were performed to study the high-temperature （above 300 K） dynamic behavior of bulk water, specifically the behavior of the diffusion coefficient, hydrogen bond, and nearest-neighbor lifetimes. Two water potentials were compared： the recently proposed ＂globally optimal＂ point charge （OPC） model and the well-known TIP4P-Ew model. By considering the Arrhenius plots of the computed inverse diffusion coefficient and rotational relaxation constants, a crossover from Vogel-Fulcher-Tammann behavior to a linear trend with increasing temperature was detected at T＊ ≈ 309 and T＊ ≈ 285 K for the OPC and TIP4P-Ew models, respectively. Experimen- tally, the crossover point was previously observed at T＊ ≈ 315 ±5 K. We also verified that for the coefficient of thermal expansion αp（T, P）, the isobaric αp（T） curves cross at about the same T＊ as in the experiment. The lifetimes of water hydrogen bonds and of the nearest neighbors were evaluated and were found to cross near T＊, where the lifetimes are about 1 ps. For T 〈 T＊, hydrogen bonds persist longer than nearest neighbors, suggesting that the hydrogen bonding network dominates the water structure at T 〈 T＊, whereas for T 〉 T＊, water behaves more like a simple liquid. The fact that T＊ falls within the biologically relevant temperature range is a strong motivation for further analysis of the phenomenon and its possible consequences for biomolecular systems.

关键词： dynamic crossover molecular dynamics bulk liquid water water models