Karsten Wedel Jacobsen
- 2013
- Published
Electrochemical CO2 and CO reduction on metal-functionalized porphyrin-like graphene. / Tripkovic, Vladimir; Vanin, Marco; Karamad, Mohammedreza; Björketun, Mårten; Jacobsen, Karsten W.; Thygesen, Kristian S.; Rossmeisl, Jan.
In: The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Vol. 117, No. 18, 2013, p. 9187-9195.Publication: Research - peer-review › Journal article – Annual report year: 2013
- Published
Performance of genetic algorithms in search for water splitting perovskites. / Jain, A.; Castelli, Ivano Eligio; Hautier, G.; Bailey, D.H. ; Jacobsen, Karsten Wedel.
In: Journal of Materials Science, Vol. 48, No. 19, 2013, p. 6519-6534.Publication: Research - peer-review › Journal article – Annual report year: 2013
- Published
Stability and bandgaps of layered perovskites for one- and two-photon water splitting. / Castelli, Ivano Eligio; García Lastra, Juan Maria; Hüser, Falco; Thygesen, Kristian Sommer; Jacobsen, Karsten Wedel.
In: New Journal of Physics, Vol. 15, No. 10, 2013, p. 105026.Publication: Research - peer-review › Journal article – Annual report year: 2013
- 2012
- Published
Ab initio nonequilibrium quantum transport and forces with the real-space projector augmented wave method. / Chen, Jingzhe; Thygesen, Kristian S.; Jacobsen, Karsten W.
In: Physical Review B (Condensed Matter and Materials Physics), Vol. 85, No. 15, 2012, p. 155140.Publication: Research - peer-review › Journal article – Annual report year: 2012
- Published
Computational screening of perovskite metal oxides for optimal solar light capture. / Castelli, Ivano Eligio; Olsen, Thomas; Datta, Soumendu; Dahl, Søren; Thygesen, Kristian Sommer; Jacobsen, Karsten Wedel.
In: Energy & Environmental Science, 2012.Publication: Research - peer-review › Journal article – Annual report year: 2011
- Published
Construction of New Electronic Density Functionals with Error Estimation Through Fitting. / Petzold, V.; Bligaard, T.; Jacobsen, K. W.
In: Topics in Catalysis, Vol. 55, No. 5-6, 2012, p. 402-417.Publication: Research - peer-review › Journal article – Annual report year: 2012
- Published
Conventional and acoustic surface plasmons on noble metal surfaces: a time-dependent density functional theory study. / Yan, Jun; Jacobsen, Karsten W.; Thygesen, Kristian S.
In: Physical Review B (Condensed Matter and Materials Physics), Vol. 86, No. 24, 2012, p. 241404.Publication: Research - peer-review › Journal article – Annual report year: 2012
- Published
Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation. / Wellendorff, Jess; Lundgård, Keld Troen; Møgelhøj, Andreas; Petzold, Vivien Gabriele; Landis, David; Nørskov, Jens K.; Bligaard, Thomas; Jacobsen, Karsten Wedel.
In: Physical Review B (Condensed Matter and Materials Physics), Vol. 85, No. 23, 2012, p. 235149.Publication: Research - peer-review › Journal article – Annual report year: 2012
- Published
Inclusion of Dispersion Effects in Density Functional Theory : Development and Application. / Møgelhøj, Andreas; Jacobsen, Karsten Wedel (Main supervisor); Nørskov, Jens Kehlet (Supervisor).
Kgs. Lyngby : Technical University of Denmark, 2012. 207 p.Publication: Research › Ph.D. thesis – Annual report year: 2012
- Published
Investigation of Catalytic Finite-Size-Effects of Platinum Metal Clusters. / Li, Lin; Larsen, Ask Hjorth; Romero, Nichols A.; Morozov, Vitali A.; Glinsvad, Christian; Abild-Pedersen, Frank; Greeley, Jeff; Jacobsen, Karsten Wedel; Nørskov, Jens K.
In: Journal of Physical Chemistry Letters, Vol. 4, No. 1, 2012, p. 222-226.Publication: Research - peer-review › Journal article – Annual report year: 2012