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
 

2D transition metal–TCNQ sheets as bifunctional single-atom catalysts for oxygen reduction and evolution reaction (ORR/OER)

Deng, Qingming ; Zhao, Jiong ; Wu, Tiantian ; Chen, Guibin ; Hansen, Heine Anton ; Vegge, Tejs
in: Journal of Catalysis, vol: 370, pages: 378-384

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.jcat.2018.12.012

 

Charge Transport in Alkali-Metal Superoxides: A Systematic First-Principles Study

Mathiesen, Nicolai Rask ; Yang, Sheng ; García-Lastra, Juan Maria ; Vegge, Tejs ; Siegel, Donald J.
in: Chemistry of Materials, vol: 31, issue: 21, pages: 9156-9167

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1021/acs.chemmater.9b03592

  PDF

CLEASE: A versatile and user-friendly implementation of Cluster Expansion method

Chang, Jinhyun ; Kleiven, David ; Melander, Marko ; Akola, Jaakko ; García Lastra, Juan Maria ; Vegge, Tejs
in: Journal of Physics: Condensed Matter, vol: 31, issue: 32

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1088/1361-648X/ab1bbc

 

CLEASE: Implementation of cluster expansion method in atomic simulation environment package

García Lastra, Juan Maria ; Chang, Jin ; Vegge, Tejs
in: American Chemical Society. Abstracts of Papers (at the National Meeting), vol: 257
Presented at:
257th ACS National Meeting and Exposition

Type: Conference abstract in journal (Peer reviewed)

Status: Published     |    Year: 2019

  PDF

Density Functional Theory Study of Redox Potential Shifts in LixMnyFe1-yPO4 Battery Electrodes

Loftager, Simon ; Schougaard, Steen Brian ; Vegge, Tejs ; García Lastra, Juan Maria
in: The Journal of Physical Chemistry Part C, vol: 123, issue: 1, pages: 102-109

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1021/acs.jpcc.8b09167

 

Exploiting symmetry to speed up symmetric nudge elastic band calculations

García Lastra, Juan Maria ; Mathiesen, Nicolai Rask ; Vegge, Tejs
in: American Chemical Society. Abstracts of Papers (at the National Meeting), vol: 257
Presented at:
257th ACS National Meeting and Exposition

Type: Conference abstract in journal (Peer reviewed)

Status: Published     |    Year: 2019

  PDF

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

  PDF

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