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Tejs Vegge
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The atomic simulation environment—a Python library for working with atoms
AH Larsen, JJ Mortensen, J Blomqvist, IE Castelli, R Christensen, ...
Journal of Physics: Condensed Matter 29 (27), 273002, 2017
32682017
A theoretical evaluation of possible transition metal electro-catalysts for N 2 reduction
E Skulason, T Bligaard, S Gudmundsdˇttir, F Studt, J Rossmeisl, ...
Physical Chemistry Chemical Physics 14 (3), 1235-1245, 2012
12932012
Ammonia for hydrogen storage: challenges and opportunities
A Klerke, CH Christensen, JK N°rskov, T Vegge
Journal of Materials Chemistry 18 (20), 2304-2310, 2008
12052008
Atomic-scale simulations of the mechanical deformation of nanocrystalline metals
J Schi°tz, T Vegge, FD Di Tolla, KW Jacobsen
Physical Review B 60 (17), 11971, 1999
7701999
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
6322020
Lithium salts for advanced lithium batteries: Li–metal, Li–O 2, and Li–S
R Younesi, GM Veith, P Johansson, K Edstr÷m, T Vegge
Energy & Environmental Science 8 (7), 1905-1922, 2015
6042015
Communications: Elementary oxygen electrode reactions in the aprotic Li-air battery
JS Hummelsh°j, J Blomqvist, S Datta, T Vegge, J Rossmeisl, ...
The Journal of chemical physics 132 (7), 2010
4772010
Theoretical insight into the trends that guide the electrochemical reduction of carbon dioxide to formic acid
JS Yoo, R Christensen, T Vegge, JK N°rskov, F Studt
ChemSusChem 9 (4), 358-363, 2016
3662016
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 Sk˙lason
Acs Catalysis 6 (2), 635-646, 2016
3642016
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
3172017
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
2972017
Indirect, reversible high-density hydrogen storage in compact metal ammine salts
RZ S°rensen, JS Hummelsh°j, A Klerke, JB Reves, T Vegge, JK N°rskov, ...
Journal of the American Chemical Society 130 (27), 8660-8668, 2008
2172008
Nanoconfined LiBH4 as a Fast Lithium Ion Conductor
D Blanchard, A Nale, D Sveinbj÷rnsson, TM Eggenhuisen, ...
Advanced Functional Materials 25 (2), 184-192, 2015
2092015
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
2082019
Locating the rate-limiting step for the interaction of hydrogen with Mg (0001) using density-functional theory calculations and rate theory
T Vegge
Physical Review B 70 (3), 035412, 2004
2042004
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
1902020
Artificial intelligence applied to battery research: hype or reality?
T Lombardo, M Duquesnoy, H El-Bouysidy, F ┼rÚn, A Gallo-Bueno, ...
Chemical Reviews 122 (12), 10899-10969, 2021
1882021
Structural Stability of Complex Hydrides: L i B H 4 Revisited
Z Łodziana, T Vegge
Physical review letters 93 (14), 145501, 2004
1882004
Rechargeable batteries of the future—the state of the art from a BATTERY 2030+ perspective
M Fichtner, K Edstr÷m, E Ayerbe, M Berecibar, A Bhowmik, IE Castelli, ...
Advanced Energy Materials 12 (17), 2102904, 2022
1852022
DFT+U Study of Polaronic Conduction in Li2O2 and Li2CO3: Implications for Li–Air Batteries
JM Garcia-Lastra, JSG Myrdal, R Christensen, KS Thygesen, T Vegge
The Journal of Physical Chemistry C 117 (11), 5568-5577, 2013
1792013
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