Tejs Vegge

Tejs Vegge

Professor, Head of Section

DTU ENERGY
Department of Energy Conversion and Storage

Technical University of Denmark

Anker Engelunds Vej

Building 301, room 113

2800 Kgs. Lyngby

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2019
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Genetic algorithms for computational materials discovery accelerated by machine learning

C. Jennings, Paul ; Lysgaard, Steen ; Hummelshøj, Jens Strabo ; Vegge, Tejs ; Bligaard, Thomas
in: n p j Computational Materials, vol: 5

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1038/s41524-019-0181-4

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Improved cycling stability in high-capacity Li-rich vanadium containing disordered rock salt oxyfluoride cathodes

Baur, Christian ; Källquist, Ida ; Chable, Johann ; Chang, Jin Hyun ; Johnsen, Rune E. ; Ruiz-Zepeda, Francisco ; Ateba Mba, Jean-Marcel ; Naylor, Andrew J. ; García-Lastra, Juan Maria ; Vegge, Tejs ; Klein, Franziska ; Schür, Annika R. ; Norby, Poul ; Edström, Kristina ; Hahlin, Maria ; Fichtner, Maximilian
in: Journal of Materials Chemistry A, vol: 7, issue: 37, pages: 21244-21253

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1039/c9ta06291b

 

Improved Electrocatalytic Water Splitting Reaction on CeO2(111) by Strain Engineering: A DFT+U Study

Wu, Tiantian ; Vegge, Tejs ; Hansen, Heine Anton
in: ACS Catalysis, vol: 9, pages: 4853-4861

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1021/acscatal.9b00203

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Improving the Activity of M-N4 Catalysts for the Oxygen Reduction Reaction by Electrolyte Adsorption

Svane, Katrine L. ; Reda, Mateusz ; Vegge, Tejs ; Hansen, Heine A.
in: ChemSusChem, vol: 12, issue: 23, pages: 5133-5141

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1002/cssc.201902443

 

Mechanism of Water Splitting on Gadolinium-Doped CeO2(111): A DFT + U Study

Wu, Tiantian ; Deng, Qingming ; Hansen, Heine Anton ; Vegge, Tejs
in: Journal of Physical Chemistry C, vol: 123, issue: 9, pages: 5507-5517

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1021/acs.jpcc.8b12037

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Reversible ammonia-based and liquid organic hydrogen carriers for high-density hydrogen storage: Recent progress

Makepeace, Joshua W. ; He, Teng ; Weidenthaler, Claudia ; Jensen, Torben R. ; Chang, Fei ; Vegge, Tejs ; Ngene, Peter ; Kojima, Yoshitsugu ; de Jongh, Petra E. ; Chen, Ping ; David, William I.F.
in: International Journal of Hydrogen Energy, vol: 44, issue: 15, pages: 7746-7767

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.ijhydene.2019.01.144

 

R-NEB: Accelerated Nudged Elastic Band Calculations by Use of Reflection Symmetry

Mathiesen, Nicolai Rask ; Jonsson, Hannes ; Vegge, Tejs ; García Lastra, Juan Maria
in: Journal of Chemical Theory and Computation, vol: 15, issue: 5, pages: 3215-3222

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1021/acs.jctc.8b01229

 

Role of Long-Range Dispersion Forces in Modeling of MXenes as Battery Electrode Materials

Tygesen, Alexander S. ; Pandey, Mohnish ; Vegge, Tejs ; Thygesen, Kristian Sommer ; García-Lastra, Juan M.
in: The Journal of Physical Chemistry Part C, vol: 123, issue: 7, pages: 4064-4071

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1021/acs.jpcc.8b11663

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The influence of silica surface groups on the Li-ion conductivity of LiBH4/SiO2 nanocomposites

Ngene, Peter ; Lambregts, Sander F. H. ; Blanchard, Didier ; Vegge, Tejs ; Sharma, Manish ; Hagemann, Hans ; de Jongh, Petra E
in: Physical Chemistry Chemical Physics, vol: 21, issue: 40, pages: 22456-22466

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1039/c9cp04235k

2018
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Adiabatic and Nonadiabatic Charge Transport in Li-S Batteries

Park, Haesun ; Kumar, Nitin ; Melander, Marko ; Vegge, Tejs ; García Lastra, Juan Maria ; Siegel, Donald Jason
in: Chemistry of Materials, vol: 30, issue: 3, pages: 915-928

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2018     |    DOI: https://doi.org/10.1021/acs.chemmater.7b04618