Tejs Vegge

Tejs Vegge

Professor, Sektionsleder

DTU ENERGI
Institut for Energikonvertering og -lagring

Danmarks Tekniske Universitet

Anker Engelunds Vej

Bygning 301, rum 113

2800 Kgs. Lyngby

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2020
 

Energy-entropy competition in cation-hydroxyl interactions at the liquid water-Pt(111) interface

Kristoffersen, Henrik H. ; Chan, Karen ; Vegge, Tejs ; Hansen, Heine Anton
in: Chemical Communications

Type: Journal article (Peer reviewed)

Status: Accepted/In press     |    År: 2020     |    DOI: https://doi.org/10.1039/c9cc07769c

 

From Trigonal to Cubic LiVO2: A High-Energy Phase Transition Towards Disordered Rock Salt Materials

Chable, Johann ; Baur, Christian ; Chang, Jinhyun ; Wenzel, Sebastian ; García Lastra, Juan Maria ; Vegge, Tejs
in: Journal of Physical Chemistry C

Type: Journal article (Peer reviewed)

Status: Accepted/In press     |    År: 2020     |    DOI: https://doi.org/10.1021/acs.jpcc.9b11235

 

Machine Learning Accelerated Genetic Algorithms for Computational Materials Search

Jennings, Paul ; Lysgaard, Steen ; Hummelshøj, Jens Strabo ; Vegge, Tejs ; Bligaard, Thomas
in: Npj Computational Materials

Type: Journal article (Peer reviewed)

Status: Accepted/In press     |    År: 2020

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     |    År: 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     |    År: 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     |    År: 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     |    År: 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     |    År: 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     |    År: 2019