Center for Atomic-scale Materials Design
- 2013
- Published
Development of new catalysts for water electrolysis. / Hernandez-Fernandez, Patricia (Author); Paoli, Elisa Antares (Author); Frydendal, Rasmus (Author); Stephens, Ifan (Author); Rossmeisl, Jan (Author); Chorkendorff, Ib (Author).
2013. International Symposium on Water Electrolysis and Hydrogen as part of the future Renewable Energy System, Copenhagen, Denmark, 10-05-13.Publication: Research › Sound/Visual production (digital) – Annual report year: 2013
- Published
DFT based study of transition metal nano-clusters for electrochemical NH3 production. / Howalt, Jakob Geelmuyden; Bligaard, Thomas ; Rossmeisl, Jan; Vegge, Tejs.
In: Physical Chemistry Chemical Physics, Vol. 15, 2013, p. 7785-7795.Publication: Research - peer-review › Journal article – Annual report year: 2013
- Published
Generalized trends in the formation energies of perovskite oxides. / Zeng, Zhenhua; Calle-Vallejo, Federico; Mogensen, Mogens Bjerg; Rossmeisl, Jan.
In: Physical Chemistry Chemical Physics, Vol. 15, No. 20, 2013, p. 7526-7533.Publication: Research - peer-review › Journal article – Annual report year: 2013
- 2012
- Published
Activity Descriptors for CO2 Electroreduction to Methane on Transition-Metal Catalysts. / Peterson, Andrew; Nørskov, Jens K.
In: Journal of Physical Chemistry Letters, Vol. 3, No. 2, 2012, p. 251-258.Publication: Research - peer-review › Journal article – Annual report year: 2012
- Published
Bifunctional anode catalysts for direct methanol fuel cells. / Rossmeisl, Jan; Ferrin, Peter; Tritsaris, Georgios; Nilekar, Anand Udaykumar; Koh, Shirlaine; Bae, Sang Eun; Brankovic, Stanko R.; Strasser, Peter; Mavrikakis, Manos.
In: Energy & Environmental Science, Vol. 5, No. 8, 2012, p. 8335-8342.Publication: Research - peer-review › Journal article – Annual report year: 2012
- Published
Identifying active surface phases for metal oxide electrocatalysts: a study of manganese oxide bi-functional catalysts for oxygen reduction and water oxidation catalysis. / Su, Hai-Yan; Gorlin, Yelena; Man, Isabela Costinela; Vallejo, Federico Calle; Nørskov, Jens K.; Jaramillo, Thomas F.; Rossmeisl, Jan.
In: Physical Chemistry Chemical Physics, Vol. 14, No. 40, 2012, p. 14010-14022.Publication: Research - peer-review › Journal article – Annual report year: 2012
- Published
New cubic perovskites for one- and two-photon water splitting using the computational materials repository. / Castelli, Ivano Eligio; Landis, David; Thygesen, Kristian Sommer; Dahl, Søren; Chorkendorff, Ib; Jaramillo, Thomas F.; Jacobsen, Karsten Wedel.
In: Energy & Environmental Science, Vol. 5, No. 10, 2012, p. 9034-9043.Publication: Research - peer-review › Journal article – Annual report year: 2012
- Published
Resolving the stability and structure of strontium chloride amines from equilibrium pressures, XRD and DFT. / Lysgaard, Steen; Ammitzbøll, Andreas L. ; Johnsen, Rune; Norby, Poul; Quaade, Ulrich J.; Vegge, Tejs.
In: International Journal of Hydrogen Energy, Vol. 37, No. 24, 2012, p. 18927-18936.Publication: Research - peer-review › Journal article – Annual report year: 2012
- Published
Search Directions for Direct H2O2 Synthesis Catalysts Starting from Au-12 Nanoclusters. / Grabow, Lars; Larsen, Britt Hvolbæk; Falsig, Hanne; Nørskov, Jens Kehlet.
In: Topics in Catalysis, Vol. 55, No. 5-6, 2012, p. 336-344.Publication: Research - peer-review › Journal article – Annual report year: 2012