Abild-Pedersen, F.

Chorkendorff, Ib

Dahl, Søren

Damsgaard, Christian Danvad

Duchstein, Linus Daniel Leonhard

Elkjær, Christian Fink

Gardini, Diego

Nørskov, J.K.

Sharafutdinov, Irek

Studt, F.

Wagner, Jakob Birkedal

Online Research Database In Technology

                       General rights Copyright and moral rights for the publications made accessible in the public portal are retained by the authors and/or other copyright owners and it is a condition of accessing publications that users recognise and abide by the legal requirements associated with these rights.  • Users may download and print one copy of any publication from the public portal for the purpose of private study or research. • You may not further distribute the material or use it for any profit-making activity or commercial gain • You may freely distribute the URL identifying the publication in the public portal   If you believe that this document breaches copyright please contact us providing details, and we will remove access to the work immediately and investigate your claim.     Downloaded from orbit.dtu.dk on: Dec 20, 2017Development and characterization of novel catalysts for methanol synthesis from CO2and hydrogenDamsgaard, Christian Danvad; Duchstein, Linus Daniel Leonhard; Gardini, Diego; Wagner, JakobBirkedal; Studt, F.; Abild-Pedersen, F.; Nørskov, J.K.; Sharafutdinov, Irek; Elkjær, Christian Fink; Dahl,Søren; Chorkendorff, IbPublication date:2012Link back to DTU OrbitCitation (APA):Damsgaard, C. D., Duchstein, L. D. L., Gardini, D., Wagner, J. B., Studt, F., Abild-Pedersen, F., ... Chorkendorff,I. (2012). Development and characterization of novel catalysts for methanol synthesis from CO2 and hydrogen.Abstract from Future challenges in CO2 reduction - International CECAM-Workshop, Bremen, Germany.Development and characterization of novel catalysts for methanol synthesis from CO2 and hydrogen C.D. Damsgaard1, L.D.L Duchstein1, D. Gardini1,3, J.B. Wagner1, F. Studt2, F. Abild-Pedersen2, J. K. Nørskov2, I. Sharafutdinov3, C.F. Elkjær3, S. Dahl3, and I. Chorchendorff3 1Center for Electron Nanoscopy, Technical University of Denmark, DK-2800 Lyngby, Denmark  2SUNCAT Center for Interface Science and Catalysis, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025 and Department of Chemical Engineering, Stanford University, Stanford, California 94305, USA 3Department of Physics, Technical University of Denmark, DK-2800 Lyngby, Denmark   Catalysis will play a crucial role in all technologies, which potentially could be used for producing sustainable chemical fuels from solar energy. DTU CASE (Catalysis for Sustainable energy) has the main objective to overcome some of the catalyst challenges within this field by developing a science-based rational design strategy for new catalysts and to establish an understanding of the mechanism by which solid surfaces act as catalysts for energy conversion processes.   One specific challenge concerns energy conversion based upon decentralized hydrogen production. One solution could be to store hydrogen on location by methanol synthesis under lower pressure conditions. In the search of catalysts that might open up new processes, studies based on density functional theory (DFT) calculations have predicted a nickel gallium alloy to be active for this reaction [1].   NiGa catalysts prepared by incipient wetness impregnation on a high surface area silica support, have shown comparable turn over frequencies as the preferred commercial Cu/Zn/Al2O3 catalyst system [2]. This illustrates nicely that the DFT-predicted catalyst actually works for methanol synthesis and thereby that the rational design strategy has succeeded.  The catalysts have been studied and characterized extensively by activity measurements, in situ XRD and Environmental Transmission Electron Microscope (ETEM) [3] during nanoparticle formation, methanol synthesis, and accelerated aging experiments [2]. For the optimal Ni:Ga ratio of 5:3  in situ XRD and ETEM studies confirms the formation of the -Ni5Ga3 phase nanoparticles at temperatures above T>600C in H2. During methanol formation in 25% CO2 in H2 a significant deactivation is observed at temperatures 210C<T<250C. A regeneration of the catalyst can be obtained by a heat treatment at 300C in pure H2. At higher temperatures 300C<T<400C the catalyst is deactivated further, and a phase change from Ni5Ga3 to the less active Ni3Ga is observed. In order to regenerate the catalyst a heat treatment at 700C in pure H2 is necessary [3].   The science-based rational design strategy will be the framework for further investigations on the promising NiGa catalyst for methanol synthesis in order to increase the long term stability of catalytic activity.    References: [1] F. Studt et al., SLAC, Stanford University (to be published). [2] I. Sharafutdinov et al., Technical University of Denmark (to be published). [3] T.W. Hansen et al., Materials Science and Technology 11(2010), p. 1338. 

Development and characterization of novel catalysts for methanol synthesis from CO<sub>2</sub> and hydrogen

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Development and characterization of novel catalysts for methanol synthesis from CO<sub>2</sub> and hydrogen

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