Theoretical Atomic-scale Physics
- 2016
- Published
Toward Molecular Magnets of Organic Origin via Anion-π Interaction Involving m-Aminyl Diradical: A Theoretical Study. / Bhattacharya, Debojit; Shil, Suranjan; Misra, Anirban; Bytautas, Laimutis; Klein, Douglas J.
In: The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, Vol. 120, No. 45, 2016, p. 9117–9130.Publication: Research - peer-review › Journal article – Annual report year: 2016
- Published
Tuning the activity of Pt alloy electrocatalysts by means of the lanthanide contraction. / Escribano, Maria Escudero; Malacrida, Paolo; Hansen, Martin Hangaard; Vej-Hansen, Ulrik Grønbjerg; Velazquez-Palenzuela, Amado Andres; Tripkovic, Vladimir; Schiøtz, Jakob; Rossmeisl, Jan; Stephens, Ifan E. L.; Chorkendorff, Ib.
In: Science, Vol. 352, No. 6281, 2016, p. 73-76.Publication: Research - peer-review › Journal article – Annual report year: 2016
- Published
Universality in Nonaqueous Alkali Oxygen Reduction on Metal Surfaces: Implications for Li−O2 and Na−O2 Batteries. / Krishnamurthy, Dilip ; Hansen, Heine Anton; Viswanathan, Venkatasubramanian.
In: ACS Energy Letters, Vol. 1, 2016, p. 162−168.Publication: Research - peer-review › Journal article – Annual report year: 2016
- Published
Water at Interfaces. / Björneholm, Olle; Hansen, Martin Hangaard; Hodgson, Andrew; Liu, Li-Min; Limmer, David T.; Michaelides, Angelos; Pedevilla, Philipp; Rossmeisl, Jan; Shen, Huaze; Tocci, Gabriele; Tyrode, Eric; Walz, Marie-Madeleine; Werner, Josephina; Bluhm, Hendrik.
In: Chemical Reviews, Vol. 116, No. 13, 2016, p. 7698-7726.Publication: Research - peer-review › Review – Annual report year: 2016
- 2015
- Published
Computational design of molecules for dye sensitized solar cells and nano electronics. / Ørnsø, Kristian Baruël; Thygesen, Kristian Sommer (Main supervisor); Jacobsen, Karsten Wedel (Supervisor).
Kongens Lyngby : Technical University of Denmark, 2015. 136 p.Publication: Research › Ph.D. thesis – Annual report year: 2015
- Published
Computational Discovery of Sustainable Energy Materials. / Thygesen, Kristian Sommer.
Book of Abstracts. DTU's Sustain Conference 2015. Lyngby : Technical University of Denmark, 2015. M-4.Publication: Research - peer-review › Conference abstract in proceedings – Annual report year: 2015
- Published
Computational Screening of Energy Materials. / Pandey, Mohnish; Jacobsen, Karsten Wedel (Main supervisor); Thygesen, Kristian Sommer (Supervisor).
Kongens Lyngby : Technical University of Denmark, 2015. 158 p.Publication: Research › Ph.D. thesis – Annual report year: 2015
- Published
Influence of Adsorbed Water on the Oxygen Evolution Reaction on Oxides. / Siahrostami, Samira; Vojvodic, Aleksandra.
In: The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Vol. 119, No. 2, 2015, p. 1032-1037.Publication: Research - peer-review › Journal article – Annual report year: 2015
- Published
Quantum theory of plasmons in nanostructures. / Winther, Kirsten Trøstrup; Thygesen, Kristian Sommer (Main supervisor); Jacobsen, Karsten Wedel (Supervisor).
Kongens Lyngby : Technical University of Denmark, 2015. 156 p.Publication: Research › Ph.D. thesis – Annual report year: 2015
- Published
Structure, activity, and stability of platinum alloys as catalysts for the oxygen reduction reaction. / Vej-Hansen, Ulrik Grønbjerg; Schiøtz, Jakob (Main supervisor); Stephens, Ifan (Supervisor); Rossmeisl, Jan (Supervisor).
Department of Physics, Technical University of Denmark, 2015. 150 p.Publication: Research › Ph.D. thesis – Annual report year: 2016