Theoretical Atomic-scale Physics
- 2016
- Published
An Electrochemical Impedance Study of the Capacity Limitations in Na–O2 Cells. / Knudsen, Kristian Bastholm; Nichols, Jessica E. ; Vegge, Tejs; Luntz, Alan C.; McCloskey, Bryan D. ; Hjelm, Johan.
In: The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Vol. 120, No. 20, 2016, p. 10799–10805.Publication: Research - peer-review › Journal article – Annual report year: 2016
- E-pub ahead of print
Decoupling Strain and Ligand Effects in Ternary Nanoparticles for Improved ORR Electrocatalysis. / C. Jennings, Paul; Lysgaard, Steen; Hansen, Heine Anton; Vegge, Tejs.
In: Physical Chemistry Chemical Physics, 2016.Publication: Research - peer-review › Journal article – Annual report year: 2016
- Published
Femtosecond X-Ray Scattering Study of Ultrafast Photoinduced Structural Dynamics in Solvated [Co(terpy)2]2+. / Biasin, Elisa; Brandt van Driel, Tim; Kjær, Kasper Skov; Dohn, Asmus Ougaard; Christensen, Morten; Harlang, Tobias; Chabera, Pavel; Liu, Yizhu; Uhlig, Jens; Pápai, Mátyás Imre; Møller, Klaus Braagaard; Nielsen, Martin Meedom; Haldrup, Kristoffer.
In: Physical Review Letters, Vol. 117, No. 1, 013002, 2016, p. 1-6.Publication: Research - peer-review › Journal article – Annual report year: 2016
- Published
Hubbard-U corrected Hamiltonians for non-self-consistent random-phase approximation total-energy calculations : A study of ZnS, TiO2, and NiO. / Patrick, Christopher; Thygesen, Kristian Sommer.
In: Physical Review B (Condensed Matter and Materials Physics), Vol. 93, 035133, 2016.Publication: Research - peer-review › Journal article – Annual report year: 2016
- E-pub ahead of print
Nanostructured materials for solid-state hydrogen storage: A review of the achievement of COST Action MP1103. / Callini, Elsa ; Aguey-Zinsou, Kondo-Francois; Ahuja, Rajeev; Ares, José Ramon Ares; Bals, Sara ; Biliskov, Nikola ; Chakraborty, Sudip ; Charalambopoulou, Georgia ; Chaudhary, Anna-Lisa ; Cuevas, Fermin ; Dam, Bernard ; Jongh, Petra E. de ; Dornheim, Martin; Filinchuk, Yaroslav; Novakovic, Jasmina Grbovic ; Hirscher, Michael ; Jensen, Torben R.; Jensen, Peter Bjerre; Novakovic, Nikola ; Lai, Qiwen ; Leardini, Fabrice ; Gattia, Daniele Mirabile; Pasquini, Luca ; Steriotis, Theodore ; Turner, Stuart ; Vegge, Tejs; Züttel, Andreas; Montone, Amelia .
In: International Journal of Hydrogen Energy, 2016.Publication: Research - peer-review › Journal article – Annual report year: 2016
- Published
Oxygen Reduction Reaction on Pt Overlayers Deposited onto a Gold Film: Ligand, Strain, and Ensemble Effect. / Deng, Yu-Jia; Tripkovic, Vladimir; Rossmeisl, Jan; Arenz, Matthias.
In: A C S Catalysis, Vol. 6, No. 2, 2016, p. 671-676.Publication: Research - peer-review › Journal article – Annual report year: 2016
- Published
Phase Transition of MoS2 Bilayer Structures. / Pandey, Mohnish; Bothra, Pallavi; Pati, Swapan K.
In: Journal of Physical Chemistry C, Vol. 120, No. 7, 2016, p. 3776-3780.Publication: Research - peer-review › Journal article – Annual report year: 2016
- Published
Scandium-doped zinc cadmium oxide as a new stable n-type oxide thermoelectric material. / Han, Li; Christensen, Dennis Valbjørn; Bhowmik, Arghya; Simonsen, Søren Bredmose; Le, Thanh Hung; Abdellahi, Ebtisam; Chen, Y. Z.; Van Nong, Ngo; Linderoth, Søren; Pryds, Nini.
In: Journal of Materials Chemistry A, Vol. 4, No. 31, 2016, p. 12221-12231.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
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