The effect of Co-promotion on MoS2 catalysts for hydrodesulfurization of thiophene: A density functional study von MOSES, Poul Georg, HINNEMANN, Berit, TOPSØE, Henrik, NØRSKOV, Jens K

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Location and coordination of promoter atoms in Co-and Ni-promoted MoS2-based hydrotreating catalysts von LAURITSEN, Jeppe V, KIBSGAARD, Jakob, BESENBACHER, Flemming, OLESEN, Georg H, MOSES, Poul G, HINNEMANN, Berit, HELVEG, Stig, NØRSKOV, Jens K, CLAUSEN, Bjerne S, TOPSØE, Henrik, LAEGSGAARD, Erik

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Scaling Relationships for Adsorption Energies on Transition Metal Oxide, Sulfide, and Nitride Surfaces von Fernández, Eva M, Moses, Poul G, Toftelund, Anja, Hansen, Heine A, Martínez, José I, Abild-Pedersen, Frank, Kleis, Jesper, Hinnemann, Berit, Rossmeisl, Jan, Bligaard, Thomas, Nørskov, Jens K

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A Density Functional Study of the Chemical Differences between Type I and Type II MoS2-Based Structures in Hydrotreating Catalysts von Hinnemann, Berit, Nørskov, Jens K, Topsøe, Henrik

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On the Role of Metal Step-Edges in Graphene Growth von Saadi, Souheil, Abild-Pedersen, Frank, Helveg, Stig, Sehested, Jens, Hinnemann, Berit, Appel, Charlotte C, Nørskov, Jens K

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Atomic-scale insight and design principles for turbine engine thermal barrier coatings from theory von Marino, Kristen A, Hinnemann, Berit, Carter, Emily A

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The energies of formation and mobilities of Cu surface species on Cu and ZnO in methanol and water gas shift atmospheres studied by DFT von Rasmussen, Dominik Bjørn, Janssens, Ton V.W., Temel, Burcin, Bligaard, Thomas, Hinnemann, Berit, Helveg, Stig, Sehested, Jens

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The role of reaction pathways and support interactions in the development of high activity hydrotreating catalysts von Topsøe, Henrik, Hinnemann, Berit, Nørskov, Jens K., Lauritsen, Jeppe V., Besenbacher, Flemming, Hansen, Poul L., Hytoft, Glen, Egeberg, Rasmus G., Knudsen, Kim G.

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A density functional study of inhibition of the HDS hydrogenation pathway by pyridine, benzene, and H2S on MoS2-based catalysts von LOGADOTTIR, Ashildur, MOSES, Poul Georg, HINNEMANN, Berit, TOPSØE, Nan-Yu, KNUDSEN, Kim G, TOPSØE, Henrik, NØRSKOV, Jens K

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atomic-scale investigation of carbon in MoS₂ hydrotreating catalysts sulfided by organosulfur compounds von Tuxen, Anders, Gøbel, Henrik, Hinnemann, Berit, Li, Zheshen, Knudsen, Kim G, Topsøe, Henrik, Lauritsen, Jeppe V, Besenbacher, Flemming

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Structure of and ion segregation to an alumina grain boundary: Implications for growth and creep von Milas, Ivan, Hinnemann, Berit, Carter, Emily A.

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Corrigendum to “The hydrogenation and direct desulfurization reaction pathway in thiophene hydrodesulfurization over MoS2 catalysts at realistic conditions: A density functional st... von Moses, Poul Georg, Hinnemann, Berit, Topsøe, Henrik, Nørskov, Jens K.

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The hydrogenation and direct desulfurization reaction pathway in thiophene hydrodesulfurization over MoS2 catalysts at realistic conditions : A density functional study von MOSES, Poul Georg, HINNEMANN, Berit, TOPSØE, Henrik, NØRSKOV, Jens K

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DFT + U study of defects in bulk rutile TiO2 von Stausholm-Møller, Jess, Kristoffersen, Henrik H., Hinnemann, Berit, Madsen, Georg K. H., Hammer, Bjørk

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First principles calculations and experimental insight into methane steam reforming over transition metal catalysts von Jones, Glenn, Jakobsen, Jon Geest, Shim, Signe S., Kleis, Jesper, Andersson, Martin P., Rossmeisl, Jan, Abild-Pedersen, Frank, Bligaard, Thomas, Helveg, Stig, Hinnemann, Berit, Rostrup-Nielsen, Jens R., Chorkendorff, Ib, Sehested, Jens, Nørskov, Jens K.

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Biomimetic Hydrogen Evolution:  MoS2 Nanoparticles as Catalyst for Hydrogen Evolution von Hinnemann, Berit, Moses, Poul Georg, Bonde, Jacob, Jørgensen, Kristina P, Nielsen, Jane H, Horch, Sebastian, Chorkendorff, Ib, Nørskov, Jens K

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Adsorption of Al, O, Hf, Y, Pt, and S Atoms on α-Al2O3(0001) von Hinnemann, Berit, Carter, Emily A

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Atomic-scale insight into adsorption of sterically hindered dibenzothiophenes on MoS2 and Co–Mo–S hydrotreating catalysts von Tuxen, Anders K., Füchtbauer, Henrik G., Temel, Burcin, Hinnemann, Berit, Topsøe, Henrik, Knudsen, Kim G., Besenbacher, Flemming, Lauritsen, Jeppe V.

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Sintering of nickel steam reforming catalysts: Effective mass diffusion constant for Ni-OH at nickel surfaces von SEHESTED, Jens, LARSEN, Niels W, FALSIG, Hanne, HINNEMANN, Berit

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Spectroscopy, microscopy and theoretical study of NO adsorption on MoS 2 and Co–Mo–S hydrotreating catalysts von Topsøe, Nan-Yu, Tuxen, Anders, Hinnemann, Berit, Lauritsen, Jeppe V., Knudsen, Kim G., Besenbacher, Flemming, Topsøe, Henrik

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