Computational Atomic-scale Materials Design

Phone+45 2381 4736
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Websitehttps://physics.dtu.dk/research/sections/camd

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2013
Activity and Selectivity for O-2 Reduction to H2O2 on Transition Metal Surfaces
Siahrostami, S., Verdaguer Casadevall, A., Karamad, M., Chorkendorff, I., Stephens, I. & Rossmeisl, J., 2013, In: E C S Transactions. 58, 2, p. 53-62 10 p.
Research output: Contribution to journal › Conference article › Research › peer-review

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Bandgap Engineering of Double Perovskites for One- and Two-photon Water Splitting
Castelli, I. E., Thygesen, K. S. & Jacobsen, K. W., 2013, In: Materials Research Society Symposium Proceedings. 1523, p. 18-23 6 p.
Research output: Contribution to journal › Conference article › Research › peer-review

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807 Downloads (Pure)
2011

Finite-size effects in surface chemistry of gold nanoparticles
Kleis, J., Greeley, J., Romero, N. A., Morozov, V. A., Falsig, H., Larsen, A. H., Lu, J., Mortensen, J. J., Dulak, M., Thygesen, K. S. & Norskov, J. K., 2011, In: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 242, p. -
Research output: Contribution to journal › Conference article › Research › peer-review
Scaling relations applied to synthetic fuel production
Wang, S., Jones, G., Andersson, M., Falsig, H., Grabow, L. C., Abild-Pedersen, F., Studt, F., Norskov, J. K. & Bligaard, T., 2011, In: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 242, p. -
Research output: Contribution to journal › Conference article › Research › peer-review
Scaling relationships for adsorption energies of C2 hydrocarbons on transition metal surfaces
Jones, G., Studt, F., Abild-Pedersen, F., Nørskov, J. K. & Bligaard, T., 2011, In: Chemical Engineering Science. 66, 24, p. 6318-6323
Research output: Contribution to journal › Conference article › Research › peer-review
2009
Ab initio Defect Energetics in LaBO3 Perovskite Solid Oxide Fuel Cell Materials
Lee, Y.-L., Morgan, D., Kleis, J. & Rossmeisl, J., 2009, In: E C S Transactions. 25, 2, p. 2761-2767
Research output: Contribution to journal › Conference article › Research › peer-review

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Optical absorption spectra of Ag-11 isomers
Martinez, J. I. & Fernandez, E. M., 2009, In: European Physical Journal D. 52, 1-3, p. 199-202
Research output: Contribution to journal › Conference article › Research › peer-review
2007
Cyclic Voltammograms from First Principles
Karlberg, G., Jaramillo, T., Skulason, E., Rossmeisl, J., Bligaard, T. & Nørskov, J. K., 2007, In: E C S Transactions. 11, 1, p. 759-768
Research output: Contribution to journal › Conference article › Research › peer-review

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Computational Atomic-scale Materials Design

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