Karsten Wedel Jacobsen
- 2013
- Published
Computational Approach to Electron Charge Transfer Reactions. / Jónsson, Elvar Örn; Jacobsen, Karsten Wedel (Main supervisor); Thygesen, Kristian Sommer (Supervisor); Ulstrup, Jens (Supervisor).
Department of Physics, Technical University of Denmark, 2013. 241 p.Publication: Research › Ph.D. thesis – Annual report year: 2014
- Published
Computational Screening of Materials for Water Splitting Applications. / Castelli, Ivano Eligio; Jacobsen, Karsten Wedel (Main supervisor); Thygesen, Kristian Sommer (Supervisor).
Kgs. Lyngby : Technical University of Denmark, 2013. 204 p.Publication: Research › Ph.D. thesis – Annual report year: 2014
- Published
Density functional theory studies of transition metal nanoparticles in catalysis. / Greeley, Jeffrey Philip; Rankin, Rees; Zeng, Zhenhua; Chun, Hee-Joon; Clayborne, Andre; Li, Lin; Abild-Pedersen, Frank; Nørskov, Jens Kehlet; Larsen, Ask Hjorth; Kleis, Jesper; Jacobsen, Karsten Wedel; Romero, Nichols.
In: Abstracts of Papers of the American Chemical Society, Vol. 246, 2013, p. -.Publication: Research - peer-review › Conference abstract in journal – Annual report year: 2013
- Published
Direct measurement and modulation of single-molecule coordinative bonding forces in a transition metal complex. / Hao, Xian; Zhu, Nan; Gschneidtner, Tina; Jonsson, Elvar Ö; Zhang, Jingdong; Moth-Poulsen, Kasper; Wang, Hongda; Thygesen, Kristian S; Jacobsen, Karsten W; Ulstrup, Jens; Chi, Qijin.
In: Nature Communications, Vol. 4, 2121, 2013.Publication: Research - peer-review › Journal article – Annual report year: 2014
- 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