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Journal of Physics: Condensed Matter 29 (27), 273002, 2017
4041 2017 A theoretical evaluation of possible transition metal electro-catalysts for N 2 reduction E Skulason, T Bligaard, S Gudmundsdóttir, F Studt, J Rossmeisl, ...
Physical Chemistry Chemical Physics 14 (3), 1235-1245, 2012
1478 2012 Ammonia for hydrogen storage: challenges and opportunities A Klerke, CH Christensen, JK Nørskov, T Vegge
Journal of Materials Chemistry 18 (20), 2304-2310, 2008
1402 2008 Materials for hydrogen-based energy storage–past, recent progress and future outlook M Hirscher, VA Yartys, M Baricco, JB von Colbe, D Blanchard, ...
Journal of Alloys and Compounds 827, 153548, 2020
803 2020 Atomic-scale simulations of the mechanical deformation of nanocrystalline metals J Schiøtz, T Vegge, FD Di Tolla, KW Jacobsen
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790 1999 Lithium salts for advanced lithium batteries: Li–metal, Li–O 2, and Li–S R Younesi, GM Veith, P Johansson, K Edström, T Vegge
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The Journal of chemical physics 132 (7), 2010
484 2010 Theoretical insight into the trends that guide the electrochemical reduction of carbon dioxide to formic acid JS Yoo, R Christensen, T Vegge, JK Nørskov, F Studt
ChemSusChem 9 (4), 358-363, 2016
431 2016 Electroreduction of N2 to Ammonia at Ambient Conditions on Mononitrides of Zr, Nb, Cr, and V: A DFT Guide for Experiments Y Abghoui, AL Garden, JG Howalt, T Vegge, E Skúlason
Acs Catalysis 6 (2), 635-646, 2016
405 2016 Towards identifying the active sites on RuO 2 (110) in catalyzing oxygen evolution RR Rao, MJ Kolb, NB Halck, AF Pedersen, A Mehta, H You, ...
Energy & Environmental Science 10 (12), 2626-2637, 2017
386 2017 Orientation-Dependent Oxygen Evolution on RuO2 without Lattice Exchange KA Stoerzinger, O Diaz-Morales, M Kolb, RR Rao, R Frydendal, L Qiao, ...
ACS Energy Letters 2 (4), 876-881, 2017
338 2017 Artificial intelligence applied to battery research: hype or reality? T Lombardo, M Duquesnoy, H El-Bouysidy, F Årén, A Gallo-Bueno, ...
Chemical reviews 122 (12), 10899-10969, 2021
317 2021 Rechargeable batteries of the future—the state of the art from a BATTERY 2030+ perspective M Fichtner, K Edström, E Ayerbe, M Berecibar, A Bhowmik, IE Castelli, ...
Advanced Energy Materials 12 (17), 2102904, 2022
279 2022 Reversible ammonia-based and liquid organic hydrogen carriers for high-density hydrogen storage: Recent progress JW Makepeace, T He, C Weidenthaler, TR Jensen, F Chang, T Vegge, ...
international journal of hydrogen energy 44 (15), 7746-7767, 2019
263 2019 Operando identification of site-dependent water oxidation activity on ruthenium dioxide single-crystal surfaces RR Rao, MJ Kolb, L Giordano, AF Pedersen, Y Katayama, J Hwang, ...
Nature Catalysis 3 (6), 516-525, 2020
262 2020 Indirect, reversible high-density hydrogen storage in compact metal ammine salts RZ Sørensen, JS Hummelshøj, A Klerke, JB Reves, T Vegge, JK Nørskov, ...
Journal of the American Chemical Society 130 (27), 8660-8668, 2008
232 2008 Nanoconfined LiBH4 as a Fast Lithium Ion Conductor D Blanchard, A Nale, D Sveinbjörnsson, TM Eggenhuisen, ...
Advanced Functional Materials 25 (2), 184-192, 2015
223 2015 Genetic algorithms for computational materials discovery accelerated by machine learning PC Jennings, S Lysgaard, JS Hummelshøj, T Vegge, T Bligaard
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218 2019 Locating the rate-limiting step for the interaction of hydrogen with T Vegge
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arXiv preprint arXiv:2401.00096, 2023
197 2023 
Heine A. HansenTechnical University of DenmarkAdresă de e-mail confirmată pe dtu.dk
