DFT based study of transition metal nano-clusters for electrochemical NH3 production
HOWALT, J. G, BLIGAARD, T, ROSSMEISL, J, VEGGE, T
Published in Physical chemistry chemical physics : PCCP (01.01.2013)
Published in Physical chemistry chemical physics : PCCP (01.01.2013)
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Communications: Elementary oxygen electrode reactions in the aprotic Li-air battery
Hummelshøj, J S, Blomqvist, J, Datta, S, Vegge, T, Rossmeisl, J, Thygesen, K S, Luntz, A C, Jacobsen, K W, Nørskov, J K
Published in The Journal of chemical physics (21.02.2010)
Published in The Journal of chemical physics (21.02.2010)
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DFT+U Study of Polaronic Conduction in Li2O2 and Li2CO3: Implications for Li–Air Batteries
Garcia-Lastra, J. M, Myrdal, J. S. G, Christensen, R, Thygesen, K. S, Vegge, T
Published in Journal of physical chemistry. C (21.03.2013)
Published in Journal of physical chemistry. C (21.03.2013)
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Structural stability and decomposition of Mg(BH(4))(2) isomorphs-an ab initio free energy study
Voss, J, Hummelshøj, J S, Lodziana, Z, Vegge, T
Published in Journal of physics. Condensed matter (07.01.2009)
Published in Journal of physics. Condensed matter (07.01.2009)
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Structural stability and decomposition of Mg(BH4)2 isomorphs—an ab initio free energy study
Voss, J, Hummelshøj, J S, Łodziana, Z, Vegge, T
Published in Journal of physics. Condensed matter (07.01.2009)
Published in Journal of physics. Condensed matter (07.01.2009)
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Reversibility of Al/Ti Modified LiBH4
Blanchard, D, Shi, Q, Boothroyd, C. B, Vegge, T
Published in Journal of physical chemistry. C (06.08.2009)
Published in Journal of physical chemistry. C (06.08.2009)
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Molecular dynamics simulations of ternary PtxPdyAuz fuel cell nanocatalyst growth
Brault, P., Coutanceau, C., Jennings, P.C., Vegge, T., Berndt, J., Caillard, A., Baranton, S., Lankiang, S.
Published in International journal of hydrogen energy (21.12.2016)
Published in International journal of hydrogen energy (21.12.2016)
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Hydrogen Rotational and Translational Diffusion in Calcium Borohydride from Quasielastic Neutron Scattering and DFT Calculations
Blanchard, D, Riktor, M. D, Maronsson, J. B, Jacobsen, H. S, Kehres, J, Sveinbjörnsson, D, Bardají, E. Gil, Léon, A, Juranyi, F, Wuttke, J, Hauback, B. C, Fichtner, M, Vegge, T
Published in Journal of physical chemistry. C (02.12.2010)
Published in Journal of physical chemistry. C (02.12.2010)
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Hydrogen Dynamics in Na3AlH6: A Combined Density Functional Theory and Quasielastic Neutron Scattering Study
Voss, J, Shi, Q, Jacobsen, H. S, Zamponi, M, Lefmann, K, Vegge, T
Published in The journal of physical chemistry. B (19.04.2007)
Published in The journal of physical chemistry. B (19.04.2007)
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Determination of the of rate cross slip of screw dislocations
Vegge, T, Rasmussen, T, Leffers, T, Pedersen, OB, Jacobsen, KW
Published in Physical review letters (30.10.2000)
Published in Physical review letters (30.10.2000)
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Dehydrogenation kinetics of air-exposed MgH2/Mg2Cu and MgH2/MgCu2 studied with in situ X-ray powder diffraction
ANDREASEN, A, SØRENSEN, M. B, BURKARL, R, MØLLER, B, MOLENBROEK, A. M, PEDERSEN, A. S, VEGGE, T, JENSEN, T. R
Published in Applied physics. A, Materials science & processing (01.03.2006)
Published in Applied physics. A, Materials science & processing (01.03.2006)
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Dehydrogenation in lithium borohydride/conventional metal hydride composite based on a mutual catalysis
Yu, X.B., Shi, Q., Vegge, T., Grant, D.M., Walker, G.S.
Published in Scripta materialia (01.08.2009)
Published in Scripta materialia (01.08.2009)
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Lithium salts for advanced lithium batteries: Li-metal, Li-O2, and Li-S
Younesi, Reza, Veith, Gabriel M, Johansson, Patrik, Edström, Kristina, Vegge, Tejs
Published in Energy & environmental science (01.07.2015)
Published in Energy & environmental science (01.07.2015)
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