This report is a life cycle assessment of a relatively newly built semidetached passive house/low energy house located in Östersund/Jämtland. The analysis concentrates on the building materials in the construction phase and the energy in the use phase for 50 years. The construction phase include frame, foundation, interior and exterior walls, ceiling and roof, middle floor structure, floor coverings, interior and exterior doors, windows, interior staircase with banisters, stove and FTX-ventilation system. The inventory to obtain the volume of each material has been made with the help of blueprints and interviews. The inventory of the use phase has been made using measurements from a parallel study by Itai Danielski of the energy use in the house (Danielski, Svensson & Fröling, 2013). The database Ecoinvent has been used to get a result for the volume and energy values. The inventory data is allocated and the characterization methods GWP, CED (cumulative energy demand) and USEtox are used. The aim of this study was to compare the construction phase with the use phase to see which phase that has the highest energy values ​​and environmental impact. Another goal was to examine which materials in the construction phase that has the highest embodied energy and environmental impact. The result shows that in a comparison between the construction phase and the use phase, and when considering the parameters included in this study, the use phase has the highest values for global warming potentials (around 54 %), cumulative energy demand (around 80 %), ecotoxicity (around 56 %), human non-carcinogenic toxicity (around 77 %) and total human toxicity (around 75 %). The construction phase has the highest values for human carcinogenic toxicity (around 57 %). Even if the use phase has the highest values in most categories the construction phase also has high values. As buildings become more energy efficient and with increasing use of renewable energy, the construction phase becomes more important from an environmental perspective. This means that the material choices which are made in passive houses become increasingly important if passive houses should be considered to be environmentally friendly also in the future. The study also shows that the FTX-ventilation system, some of the insulation materials (with cellular plastic sheets and rock wool in top), metals (with sheet metal roofing of steel in top), glued laminated timber and wood fiber boards  have some of the highest values of environmental impact and the highest embodied energy. These materials should in future buildings be considered, if possible, to be replaced with materials with less environmental impact. / Den här rapporten är en livscykelanalys av ett relativt nybyggt passivhus/lågenergihus som också är ett parhus (ett hus delat i två separata lägenheter) beläget i Östersund/Jämtland. Analysen koncentrerar sig på byggnadsmaterialen i konstruktionsfasen och energin i användningsfasen under 50 år. Konstruktionsfasen inkluderar stomme, grund, inner- och ytterväggar, inner- och yttertak, mellanbjälklag, golvbeklädnader, inner- och ytterdörrar, fönster, invändig trappa med trappräcke, kamin och FTX-ventilationssystem. Inventeringen för att få fram volymen på varje material har gjorts med hjälp av ritningar och intervjuer. Inventeringen av användningsfasen har gjorts med hjälp av mätvärden från en parallell studie av Itai Danielski på energianvändningen i huset (Danielski, Svensson & Fröling, 2013). Databasen Ecoinvent har sedan använts för att få fram ett resultat för volym- och energivärdena. Inventeringsdatan är allokerad och karaktäriseringsmetoderna GWP (globalt uppvärmingspotential), CED (kumulativt energibehov) och USEtox (toxicitet) har använts. Målet med studien är att jämföra konstruktionsfasen med användningsfasen för att kunna se vilken fas som har högst energivärden och miljöpåverkan. Målet är också att undersöka vilka material i konstruktionsfasen som har högst förkroppsligad energi och miljöpåverkan, i syftet att eventuellt kunna byta ut vissa material till miljövänligare alternativ, för att få ett miljövänligare hus i framtida liknande byggnationer. Resultaten visar att i en jämförelse mellan konstruktionsfasen och användningsfasen, och med hänsyn till de parametrar som ingår i studien, att användningsfasen har de högsta värdena för globalt uppvämingspotential (runt 54 %), kumulativt energibehov (runt 80 %), ekotoxicitet (runt 56 %), human icke-cancerogen toxicitet (runt 77 %) och total human toxicitet (runt 75 %). Konstruktionsfasen har högst värden för human cancerogen toxicitet (runt 57 %). Även om användningsfasen har högst värden i de flesta kategorierna så har även konstruktionsfasen höga värden. Ju mer energieffektiva husen blir och med en ökad användning av energi från förnyelsebara källor, desto viktigare blir konstruktionsfasen ur ett miljöperspektiv. Det betyder att materialvalen som görs i huset blir väldigt viktiga om passivhus ska fortsätta anses som miljövänliga även i framtiden. Denna studie visar också att FTX-ventilationssystemet, några av isoleringsmaterialen (med cellplasten och stenullen i topp), metallerna (med plåttaket av stål i topp), limträbalkar och träfiberskivor har några av de högsta värdena av miljöpåverkan och den högsta förkroppsligade energin. Dessa material borde i framtida byggnationer övervägas att om möjligt ersättas med andra material med mindre miljöpåverkan.

We employ a variant of optical absorption spectroscopy, namely in situ differential reflectance spectroscopy (DRS), for an analysis of the structure-properties relations of thin epitaxial organic films. Clear correlations between the spectra and the differently intense coupling to the respective substrates are found. While rather broad and almost structureless spectra are obtained for a quaterrylene (QT) monolayer on Au(111), the spectral shape resembles that of isolated molecules when QT is grown on graphite. We even achieve an efficient electronic decoupling from the subjacent Au(111) by inserting an atomically thin organic spacer layer consisting of hexa-peri-hexabenzocoronene (HBC) with a noticeably dissimilar electronic behavior. These observations are further consolidated by a systematic variation of the metal substrate (Au, Ag, and Al), ranging from inert to rather reactive. For this purpose, 3,4,9,10-perylenetetracarboxylic dianhydride (PTCDA) is chosen to ensure comparability of the molecular film structures on the different metals, and also because its electronic alignment on various metal surfaces has previously been studied with great intensity. We present evidence for ionized PTCDA at several interfaces and propose the charge transfer to be related to the electronic level alignment governed by interface dipole formation on the respective metals. / Zur Analyse der Struktur-Eigenschafts-Beziehungen dünner, epitaktischer Molekülfilme wird in situ differentielle Reflexionsspektroskopie (DRS) als Variante der optischen Absorptionsspektroskopie verwendet. Klare Zusammenhänge zwischen den Spektren und der unterschiedlich starken Kopplung zum jeweiligen Substrat werden gefunden. Während man breite und beinahe unstrukturierte Spektren für eine Quaterrylen (QT) Monolage auf Au(111) erhält, ist die spektrale Form von auf Graphit abgeschiedenem QT ähnlich der isolierter Moleküle. Durch Einfügen einer atomar dünnen organischen Zwischenschicht bestehend aus Hexa-peri-hexabenzocoronen (HBC) mit einem deutlich unterschiedlichen elektronischen Verhalten gelingt sogar eine effiziente elektronische Entkopplung vom darunter liegenden Au(111). Diese Ergebnisse werden durch systematische Variation der Metallsubstrate (Au, Ag und Al), welche von inert bis sehr reaktiv reichen, untermauert. Zu diesem Zweck wird 3,4,9,10-Perylentetracarbonsäuredianhydrid (PTCDA) gewählt, um Vergleichbarkeit der molekularen Filmstrukturen zu gewährleisten, und weil dessen elektronische Anordnung auf verschiedenen Metalloberflächen bereits eingehend untersucht worden ist. Wir weisen ionisiertes PTCDA an einigen dieser Grenzflächen nach und schlagen vor, dass der Ladungsübergang mit der elektronischen Niveauanpassung zusammenhängt, welche mit der Ausbildung von Grenzflächendipolen auf den entsprechenden Metallen einhergeht.

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Avhandlingen behandlar byggprocesser i södra Sverige som hade ambitionen att åstadkomma lågenergihus liknande den tyska passivhusstandarden. Syftet med avhandlingen är att öka förståelsen för processer i införandet av ett energikoncept. Energikonceptet betraktas som en innovation för användning i en sektor som av många beskrivs som konservativ och inte särskilt mottaglig för innovationer. Byggprocesserna studeras genom att händelser rekonstrueras med hjälp av berät-tande källor såsom intervjuer och protokoll från olika möten. Även observationer har använts där tillfälle funnits. Fokus riktas mot hur arbetet organiserades och beslutsprocessen bakom valet av teknik till konceptet. Även massmedias rapporte-ring om byggprocesserna har studerats och hur deltagarna i byggprocesserna marknadsförde energikonceptet. Införandet av energikonceptet kan förstås som transformationer eller om-formningar. Omformningarna bestod av fem grundläggande aktiviteter som med Hägerstrands tidsgeografiska begrepp kallas: lösgörning, formning, hopsättning, transportering och lagring. Energikonceptet lösgjordes från ett specifikt lokalt sammanhang och transporterades till ett annat där det formades för att passa nya förutsättningar och sattes ihop till ett nytt energikoncept. Det nya energikonceptet lagrades i ett nytt hus. Genom att följa människors och teknikers trajektorier kunde slutsatser angående energikonceptets svagt och starkt kopplade delar dras. De starkt kopplade delarna är byggherrens organisering av arbetet som skulle underlätta en starkare styrning. Sinnliga upplevelser av lagrade energikoncept hade betydelse för användandet. Solfångare visade sig vara en svagt kopplad teknik och behövde teknikbärare för att användas. / This thesis explores building processes in the south of Sweden with the aim to accomplish low energy housing in accordance with the German standard for passive houses. In this thesis, the passive house is regarded as an innovative en-ergy concept which has been introduced to Sweden and to a conservative sector. The purpose of the study is to provide an understanding of processes in the im-plementation of an innovation for energy-saving dwellings. The process is recon-structed with data from interviews, minutes, articles, reports, etc, and presented as stories of different sequences including how the housing projects were organised, how the energy concept was established among the participants, how decisions were made and what messages were presented about the energy concept in mass media. The energy concept is followed in a process of transformation where it was subject to five fundamental acitivites: decomposition, moulding, composition, transportation and storage. The concepts originate from a time-geography per-spective, founded and developed by the Swedish geographer Torsten Hägerstrand. The energy concept was decomposed at a specific local context and transported to another, where it was moulded and composed into a new energy concept. The new energy concept was stored in a new setting. By following the trajectories of peo-ple and technologies, conclusions about the energy concept can be drawn. The building proprietors chose less conventional ways of managing the building proc-ess in order to have more control. The projects were started by people who them-selves had their own experience of passive houses. Solar collectors were loosely coupled to the energy concept and needed technology carriers.

Submitted by Geandra Rodrigues (geandrar@gmail.com) on 2018-01-10T14:00:21Z No. of bitstreams: 1 humbertovargasduque (1).pdf: 2897920 bytes, checksum: 904a8ff36edd0079149dfe6e3be69aed (MD5) / Rejected by Adriana Oliveira (adriana.oliveira@ufjf.edu.br), reason: Favor corrigir: Membro da banca: Filho, Jayr de Amorim on 2018-01-23T11:49:04Z (GMT) / Submitted by Geandra Rodrigues (geandrar@gmail.com) on 2018-01-23T13:12:19Z No. of bitstreams: 1 humbertovargasduque (1).pdf: 2897920 bytes, checksum: 904a8ff36edd0079149dfe6e3be69aed (MD5) / Rejected by Adriana Oliveira (adriana.oliveira@ufjf.edu.br), reason: Favor verificar nome do arquivo, existe o número (1) humbertovargasduque (1).pdf on 2018-01-23T13:14:55Z (GMT) / Submitted by Geandra Rodrigues (geandrar@gmail.com) on 2018-01-23T13:22:21Z No. of bitstreams: 1 humbertovargasduque.pdf: 2897920 bytes, checksum: 904a8ff36edd0079149dfe6e3be69aed (MD5) / Approved for entry into archive by Adriana Oliveira (adriana.oliveira@ufjf.edu.br) on 2018-01-24T13:40:22Z (GMT) No. of bitstreams: 1 humbertovargasduque.pdf: 2897920 bytes, checksum: 904a8ff36edd0079149dfe6e3be69aed (MD5) / Made available in DSpace on 2018-01-24T13:40:22Z (GMT). No. of bitstreams: 1 humbertovargasduque.pdf: 2897920 bytes, checksum: 904a8ff36edd0079149dfe6e3be69aed (MD5) Previous issue date: 2012-06-19 / CAPES - Coordenação de Aperfeiçoamento de Pessoal de Nível Superior / Este trabalho consiste no desenvolvimento, implantação e caracterização de um Analisador Cilíndrico Dispersivo 1270 em um Espectrômetro de Perda de Energia de Elétrons (EPEE) operando na região de energia de impacto de 10 a 200 eV, que está sendo desenvolvido no Laboratório de Espectroscopia Atômica e Molecular – LEAM da UFJF. Além do analisador, foram também desenvolvidos diversos trabalhos para otimização do circuito de controle do canhão de elétrons monocromatizado do EPEE, o que gerou ótima estabilidade, acarretando em um ganho considerável em intensidade do feixe produzido e melhoria no manuseio do mesmo. É descrito a implementação da variação angular da plataforma giratória que apóia o Analisador Cilíndrico Dispersivo 1270, bem como a medida desta variação, e também, do sistema de injeção do feixe gasoso através de uma cânula de molibidênio isolada eletricamente, com movimento verticalem relação ao disco onde estão instalados o canhão e analisador. Os testes de desempenho do Espectrômetro foram feitos a partir da análise da resolução de Energia ΔE do EPEE. Obtivemos ótimos resultados quanto a transmissão do feixe de elétrons monocromatizado através da região de colisão chegando até a região de detecção do espectrômetro. É descrito, também, uma avaliação das melhorias feitas no Circuito de Controle do Canhão de Elétrons Monocromatizado, obtendo excelentes resultados quanto a intensidade do feixe de elétrons na faixa de energia de 0,1-100 eV. / This work describes the development, implementation and characterization of a Cylindrical Dispersive Analyzer 1270 on a Electron Energy Loss Spectrometer (EELS) operating in the region of impact energy from 10 to 200eV, which is being developed at the Laboratory of Atomic Spectroscopy and Molecular – LEAM UFJF. In the analyzer, several studies have also been developed to optimize the control circuit of the monochromatized electron gun of the EELS, which generated great stability, resulting in a considerable gain in intensity of the beam produced and improved handling. We describe the implementation of the angular variation of the turntable that supports the Cylindrical Dispersive Analyzer 1270, and the measure of variation, and also injection system of the gas through a beam cannula molybdenum electrically isolated, with vertical movement relative to disk where the monochromatized electron gun and the energy analyzer of electrons are installed. Performance tests of the spectrometer were made from the analysis of the energy resolution ΔE of the EELS. We obtained excellent results about transmission of the electron beam across the monochromatization region collision reaching the detection region of the spectrometer. We describe also an assessment of the improvements made in the Control Circuit of the Monochromatized Electron Gun, obtaining excellent results for the intensity of the electron beam in the energy range 0.1-100 eV.

Dynamic behavior of impacting water drops on superhydrophobic solid surfaces provides important details on the stability/durability of such solid surfaces. Multi-scale surface roughness combined with a layer of low energy chemical is an essential surface modification process followed to create superhydrophobic capabilities on solid surfaces. The present work aims at studying the effect of low energy surface coating on droplet impact dynamics by carrying out experiments of water drop impacts on rough solid surfaces with and without chemical modification. A group of six aluminium alloy (Al6061) surfaces (three pairs) are prepared. Roughness, characterized in terms mean surface roughness, Ra, is introduced to these metallic surfaces using sand-paper polishing, electric discharge machining (EDM), and chemical based surface etching process. Low energy surface layer is laid on the rough surfaces by coating NeverWet hydrophobic solution, octadecyl-trichloro-silane (OTS), and perfluorodecyltricholorosilane (FAS-17). The impact dynamics of water drops is analyzed by capturing high speed videos for a range of drop Weber number from 1 to 570 and the salient features of drop impact process on the coated rough surfaces are compared with the corresponding uncoated rough surfaces. A one-to-one comparison on the spreading, fingering, receding, and final equilibrium of impacting drops on the coated and uncoated target surfaces is presented. Upon coating NeverWet, the original surface features of the base aluminium surface are completely covered by the hydrophobic coating material resulting in a fresh top surface layer. The outcomes as well as the bounce-off characteristics of impacting water drops on the coated surface are comparable to those observed on lotus leaf. The surface morphology features of rough aluminium surfaces coated with OTS and FAS-17 are comparable to those of the corresponding uncoated surfaces. The quantitative measurements on primary spreading and maximum spread factor of impacting drops are largely unaffected by the presence of low energy chemical coating. The dominant effect of surface coating is seen on the receding of impacting drops and hence the final drop configuration. This behavior is more prominently seen on EDM fabricated rough surface (larger Ra) combined with OTS coating than that on etching based rough surface (smaller Ra) combined with FAS-17 coating highlighting the dependence of coating effect with roughness features.

Atomic layer deposition (ALD) of copper films is getting enormous interest. Ultrathin Cu films are applied as the seed layer for electrochemical deposition (ECD) of copper in interconnect circuits and as the non-magnetic material for the realization of giant magnetoresistance (GMR) sensors. Particularly, Co/Cu multi-layered structures require sub 4.0 nm copper film thickness for obtaining strong GMR effects. The physical vapor deposition process for the deposition of the copper seed layers are prone to non-conformal coating and poor step coverage on side-walls and bottoms of trenches and vias, and presence of overhanging structures. This may cause failure of interconnections due to formation of voids after copper ECD. ALD is the most suitable technology for the deposition of conformal seed layers for the subsequent ECD in very high aspect ratio structures, also for the technology nodes below 20 nm. Surface chemistry during the ALD of oxides is quite well studied. However, surface chemistry during the ALD of pure metal is rather immature. This knowledge is necessary to optimize the process parameters, synthesize better precursors systems, and enhance the knowledge of existing metal ALD processes. The major goal of this work is to understand the surface chemistry of the used precursor and study the growth of ultrathin copper films using in-situ X-ray photoelectron spectroscopy (XPS). Copper films are deposited by ALD using the precursor mixture consisting of 99 mol% [(nBu3P)2Cu(acac)], as copper precursor and 1 mol% of Ru(η5 C7H11)(η5 C5H4SiMe3), as ruthenium precursor. The purpose in having catalytic amount of ruthenium precursor is to obtain the Ru doped Cu2O layers for subsequent reduction with formic acid at temperatures below 150 °C on arbitrary substrates. Two different approaches for the growth of ultrathin copper films have been studied in this dissertation. In the first approach, direct thermal ALD of copper has been studied by using H2 as co-reactant on Co as catalytic substrate. In the second approach, Ru-doped Cu2O is deposited by ALD using wet-O2 as co-reactant on SiO2 as non-catalytic substrate. The Ru-doped Cu2O is successfully reduced by using either formic acid or carbon-monoxide on SiO2. / Atomlagenabscheidung (ALD) von Kupfer steht im Fokus der ALD Gemeinschaft. Ultradünne Kupferschichten können als Keimschicht für die elektrochemische Abscheidung (ECD) von Kupfer in der Verbindungstechnologie eingesetzt werden. Sie können ebenfalls für Sensoren, welche auf den Effekt des Riesenmagnetowiderstandes (GMR) basieren, als nicht-ferromagnetische Zwischenschicht verwendet werden. Insbesondere Multischichtstrukturen aus ferromagnetische Kobalt und Kupfer erfordern Schichtdicken von weniger als 4,0 nm, um einen starken GMR-Effekt zu gewährleisten. Das derzeit verwendete physikalische Dampfabscheidungsverfahren für ultradünne Kupferschichten, ist besonders anfällig für eine nicht-konforme Abscheidung an den Seitenwänden und Böden von Strukturen mit hohem Aspektverhältnis. Des Weiteren kann es zur Bildung von Löchern und überhängenden Strukturen kommen, welche bei der anschließenden Kupfer ECD zu Kontaktlücken (Voids) führen können. Für die Abscheidung einer Kupfer-Keimschicht ist die ALD besonders gut geeignet, da sie es ermöglicht, ultradünne konforme Schichten auf strukturierten Oberflächen mit hohem Aspektverhältnis abzuscheiden. Dies macht sie zu einer der Schlüsseltechnologien für Struckturgrößen unter 20 nm. Im Gegensatz zur Oberflächenchemie rein metallischer ALD sind die Oberflächenreaktionen für oxidische ALD Schichten sehr gut untersucht. Die Kenntnis der Oberflächenchemie während eines ALD Prozesses ist essenziel für die Bestimmung von wichtigen Prozessparametern als auch für die Verbesserung der Präkursorsynthese ansich. Diese Arbeit beschäftigt sich mit der Untersuchung der Oberflächenchemie und Charakterisierung des Wachstums von ultradünnen Metall-Cu-Schichten mittels In-situ XPS, welche eines indirekten (Oxid) bzw. direkten Metall-ALD Prozesses abgeschieden werden, wobei die Kupfer-Oxidschichten im Anschluss einem Reduktionsprozess unterworfen werden. Hierfür wird eine Präkursormischung bestehend aus 99 mol% [(nBu3P)2Cu(acac)] und 1 mol% [Ru(η5 C7H11)(η5-C5H4SiMe3)] verwendet. Die katalytische Menge an Ru, welche in der entstehenden Cu2O Schicht verbleibt, erhöht den Effekt der Reduktion der Cu2O Schicht auf beliebigen Substraten mit Ameinsäure bei Wafertemperaturen unter 150 °C. In einem ersten Schritt wird ein direkter thermisches Kupfer ALD-Prozess, unter Verwendung von molekularem Wasserstoff als Coreaktant, auf einem Kobalt-Substrat untersucht. In einem zweiten Schritt wird ein indirekter thermischer Cu2O-ALD-Prozess, unter gleichzeitiger Verwendung von Sauerstoff und Wasserdampf als Coreaktant, mit anschließender Reduktion durch Ameinsäure oder Kohlenstoffmonoxid zu Kupfer auf den gleichen Substraten betrachtet. Die vorliegende Arbeit beschreibt das Wachstum von ultradünnen und kontinuierlichen Kupfer-Schichten mittels thermischer ALD auf inerten- SiO2 und reaktiven Kobalt-Substraten.

Un alliage métallique complexe est un intermétallique dont la maille est constituée d'un nombre important d'atomes et dont la structure peut être souvent décrite comme un empilement de motifs d'atomes reliés par des liaisons de type covalent. Al5Co2 est l'un de ces composés et est un catalyseur potentiel pour la semi-hydrogénation d'acétylène. L'influence de la structure tridimensionnelle sur les surfaces bidimensionnelles et donc la réactivité est étudiée. Pour se faire, le système massif est analysé en utilisant la DFT afin d'éclaircir ses propriétés thermodynamiques, électroniques et vibrationnelles. Les valeurs calculées, expérimentales et celles de la littérature sont en bon accord. La structure des surfaces de bas indice, (001), (100) et (2-10) est étudiée. Une combinaison de techniques d'analyse de surface sous ultra-vide - LEED, STM - et de DFT est utilisée pour les déterminations structurales. Les résultats indiquent que: (i) la structure des surfaces dépend des conditions de préparation, comme la température de recuit, (ii) la structure des surfaces peut être interprétée comme étant constituée de motifs tronqués où certaines liaisons de type covalent sont brisées. Les sites et les énergies d'adsorption des molécules impliquées dans la réaction de semi-hydrogénation sont calculés pour les trois surfaces. Pour les sites favorables, des distances spécifiques entre atomes d'hydrogène adsorbés et atomes de Co de surface et de sous-surface peuvent être observées. Les atomes de Co de sous-surface ont un caractère donneur d'électrons, stabilisant les atomes adsorbés en surface. En se basant sur des calculs NEB, de possibles chemins réactionnels sur la surface (2-10) sont proposés. L'activité calculée est similaire à celle obtenue pour la surface d'Al13Co4, qui est considérée comme un bon catalyseur. La sélectivité - la compétition entre la désorption d'éthylène et son hydrogénation en éthyle - est discutée. / A complex metallic alloy is an intermetallic with a large unit cell and whose structure can often be seen as a stacking of motifs of strongly covalent-like bonded atoms. Al5Co2 is such a compound and is a potential catalyst for the semi-hydrogenation of acetylene. The influence of the 3-dimensional structure on 2-dimensional surfaces is investigated. Therefore, the bulk system is analysed using DFT to gain insight in the thermodynamic, electronic and vibrational properties. Good agreements between calculated results, experimental ones and results found in the literature are obtained. The low index (001), (100) and (2-10) surfaces are investigated. A combination of surface analysis techniques under ultra high vacuum - LEED, STM - and DFT calculations is used for the structural investigations. The results show that: (i) the surface structure depends on the preparation conditions, such as the annealing temperature, (ii) the surface structure can be interpreted as truncated motif parts, where the covalent-like bonds are broken. Adsorption sites and energies of molecules involved in the semi-hydrogenation reaction are calculated for all three surfaces. For favourable adsorption sites, specific distances of adsorbed H atoms with Co surface and subsurface atoms are observed. These Co subsurface atoms have an electron donor character, stabilising the adsorbed atoms at the surface. Based on NEB calculations, possible reaction paths on the (2-10) surface are proposed. The calculated activity is similar to the one obtained for the Al13Co4 surface, which is considered a good catalyst. The selectivity - the competition between desorption of ethylene and its further hydrogenation - is discussed.