08-01
J. Rossmeisl and W.G. Bessler: Trends in Catalytic Activity for SOFC Anode materials, Solid State Ionics, 178, 1694 (2008)
08-02
B. Hinnemann, P.G. Moses, and J.K. Nørskov: Recent density functional studies of hydrodesulfurization catalysts: insight into structure and mechanism, J. Phys. Condens. Matter, 20, 064236 (2008)
08-03
G. Jones, T. Bligaard, F. Abild-Pedersen, and J.K. Nørskov: Using scaling relations to understand trends in the catalytic activity of transition metals, J. Phys. Condens. Matter, 20, 64239 (2008)
08-04
F. Besenbacher, M. Brorson, B.S. Clausen, S. Helveg, B. Hinnemann, J. Kibsgaard, J. Lauritsen, P.G. Moses, J.K. Nørskov, and H. Topsøe: Recent STM, DFT and HAADF-STEM studies of sulfide-based hydrotreating catalysts: Insight into mechanistic, structural and particle size effects, Catal. Today, 130, 86 (2008)
08-05
M.P. Andersson, F. Abild-Pedersen, I. Remediakis, T. Bligaard, G. Jones, J. Engbæk, O. Lytken, S. Horch, J.H. Nielsen, J. Sehested, J.R. Rostrup-Nielsen, J.K. Nørskov, and I. Chorkendorff: Structure Sensitivity of the Methanation Reaction: H2 induced CO dissociation on nickel surfaces, J.Catal. 255, 6 (2008)
08-06
M. Strange, I.S. Kristensen, K.S. Thygesen, and K.W. Jacobsen: Benchmark density functional theory calculations for nanoscale conductance, J. Chem. Phys., 128, 114714 (2008)
08-07
K.S. Thygesen: Impact of exchange-correlation effects on the IV characteristics of a molecular junction, Phys. Rev. Lett. 100, 166804 (2008)
08-08
K.S. Thygesen and A. Rubio: Conserving GW scheme for non-equilibrium quantum transport in molecular contacts, Phys. Rev. B, 77, 115333 (2008)
08-09
D. Mowbray, G. Jones, and K.S. Thygesen: Influence of Functional Groups on charge transport in molecular junctions, J. Chem. Phys., 128, 111103 (2008)
08-10
A. Klerke, C.H. Christensen, J.K. Nørskov, and T. Vegge: Ammonia for hydrogen storage: challenges and opportunities, J. Mater. Chem., 18, 2304 (2008)
08-11
A. Valdes, Z.W. Qu, G.J. Kroes, J. Rossmeisl, and J.K. Nørskov: Oxidation and photo-oxidation of water on TiO2 surface, J. Phys. Chem. C, 112, 9872 (2008)
08-12
H.A. Hansen, J. Rossmeisl, and J.K. Nørskov: Surface Pourbaix diagrams and oxygen reduction activity of Pt, Ag and Ni(111) surfaces studied by DFT, Phys. Chem. Chem. Phys., 10, 3722 (2008)
08-13
E.M. Fernandez, P.G. Moses, A. Toftelund, H.A. Hansen, J.I. Martinez, F. Abild-Pedersen, J. Kleis, B. Hinnemann, J. Rossmeisl, T. Bligaard, and J.K. Nørskov: Scaling relationships for adsorption energies on transition metal oxide, sulfide, and nitride surfaces, Ang. Chem. Intl. Edit., 47, 4683, (2008)
08-14
H. Falsig, B. Hvolbæk, I.S. Kristensen, T. Jiang, T. Bligaard, C.H. Christensen, and J.K. Nørskov: Trends in the catalytic CO oxidation activity of nanoparticles, Ang. Chem. Intl. Edit., 47, 4835 (2008)
08-15
F. Studt, F. Abild-Pedersen, T. Bligaard T, R.Z. Sørensen, C.H. Christensen, and J.K. Nørskov: Identification of non-precious metal alloy catalysts for selective hydrogenation of acetylene, Science, 320, 1320 (2008)
08-16
C.H. Christensen, and J.K. Nørskov: A molecular view of heterogeneous catalysis, J. Chem. Phys., 128, 182503, (2008)
08-17
M.Walter, H. Häkkinen, L Lehtovaara, M. Puska, J. Enkovaara, C. Rostgaard, and J.J. Mortensen: Time-dependent density-functional theory in the projector augmented-wave method, J. Chem. Phys., 128, 244101 (2008)
08-18
K. Johnston, J. Kleis, B.I. Lundqvist, and R.M. Nieminen: Influence of van der Waals Forces on the Adsorption Structure of Benzene on Silicon studied using density functional theory, Phys. Rev. B. 77, 121404 (2008)
08-19
R.Z. Sørensen, J.S. Hummelshøj, A. Klerke, J.B. Reves, T. Vegge, J.K. Nørskov, and C.H. Christensen, Indirect, reversible high-density hydrogen storage in compact metal ammine salts, J. Am. Chem. Soc. 130, 8660 (2008)
08-20
I.S. Kristensen, D.J. Mowbray, K.S. Thygesen, and K. W. Jacobsen: Comparative Study of Anchoring Groups for Molecular Electronics: Structure and Conductance of Au-S-Au and Au-NH2-Au Junctions, J. Phys.:Cond. Mat. 20, 374101 (2008)
08-21
M. Strange, K.S. Thygesen, J.P. Sethna, and K.W. Jacobsen: Anomalous Conductance Oscillations and Half-Metallicity in Atomic Ag-O Chains, Phys. Rev. Lett. 101, 096804 (2008)
08-22
J. Voss and T. Vegge: Gamma-point lattice free energy estimates from O(1) force calculations, J. Chem. Phys. 128, 184708 (2008)
08-23
J.K. Nørskov, T. Bligaard, B. Hvolbæk, F. Abild-Pedersen, I. Chorkendorff, and C.H. Christensen: The nature of the active site in heterogeneous metal catalysis, Chem. Soc. Rev. 37, 2163 (2008)
08-24
G. Jones, J.G. Jakobsen, S.S. Shim, J. Kleis, M.P. Andersson, J. Rossmeisl, F. Abild-Pedersen, T. Bligaard, S. Helveg, B. Hinnemann, J.R. Rostrup-Nielsen, I. Chorkendorff, J. Sehested, and J.K. Nørskov: First Principles Calculations and Experimental Insight into Methane Steam Reforming over Transition Metal Catalysts, J. Catal. 259, 147 (2008)
08-25
J. Rossmeisl, E. Skulason, M.E. Björketun, V. Tripkovic, and J.K. Nørskov: Modeling the electrified solid–liquid interface, Chem. Phys. Lett. 466, 68 (2008)
08-26
J. Rossmeisl, G.S. Karlberg, T. Jaramillo, and J.K. Nørskov: Steady state oxygen reduction and cyclic voltammetry, Faraday Discussions, 140, 337 (2008)
08-27
J. Rossmeisl and J.K. Nørskov: Electrochemistry on the computer: Understanding how to tailor the metal overlayers for the oxygen reduction reaction (A perspective on the article, "Improved oxygen reduction reactivity of platinum monolayers on transition metal surfaces", by A.U. Nilekar and M. Mavrikakis), Surf. Sci. 602, 2337 (2008)
08-28
P. Ferrin, A.U. Nilekar, J. Greeley, M. Mavrikakis, and J. Rossmeisl: Reactivity descriptors for direct methanol fuel cell anode catalysts, Surf. Sci. 602, 3424 (2008)
08-29
J. Bonde, P.G. Moses, T.F. Jaramillo, J.K. Nørskov, and I. Chorkendorff: Hydrogen evolution on nano-particulate transition metal sulfides, Faraday Discussions, 140, 219 (2008)
08-30
T.R. Munter, T. Bligaard, C.H. Christensen, and J.K. Nørskov: BEP-relations for N2 dissociation over stepped transition metal and alloy surfaces, Phys. Chem. Chem. Phys., 10, 5202 (2008)
08-31
J.M.C. Rauba, M. Strange, and K.S. Thygesen: Quantum conductance of 4,4-bipyridine molecular junctions: Role of electrode work function and local d band, Phys. Rev. B, 78, 165116 (2008)
08-32
J.M. García-Lastra, K.S. Thygesen, M. Strange, and Á. Rubio: Conductance of Sidewall-Functionalized Carbon Nanotubes: Universal Dependence on Adsorption Sites, Phys. Rev. Lett., 101, 236806 (2008)
08-33
G. Walther, D.J. Mowbray, T. Jiang, G. Jones, S. Jensen, U.J. Quaade and S. Horch: Oxidation of CO and H2 by O2 and N2O on Au/TiO2 catalysts in microreactors. Journal of Catalysis, 260, 86-92 (2008)
08-34
F. Studt, F. Abild-Pedersen, T. Bligaard, R.Z. Sørensen, C.H. Christensen, and J.K. Nørskov: On the Role of Surface Modifications of Pd Catalysts in the Selective
Hydrogenation of Acetylene. Angewandte Chemie International Edition 47, 9299-9302 (2008)