Research output per year
Research output per year
Personal profile
Profile
Head of Section for Atomic Scale Modelling and Materials
Main Research Area: Integrated computational and experimental design and characterization of novel materials for energy storage and conversion:
- Density functional theory (DFT) based design of new materials for energy storage from model structures, predictors and genetic algorithms
- Molecular, ionic, defect and electronic transport in energy materials from integrated ab initio rate calculations and in situ scattering techniques
- Electrode and electrolyte materials for metal-air, Li/Na-ion and flow batteries
- Materials for electrochemical production and storage of ammonia
- Materials for hydrogen storage, membranes and electrolytes
- Nanoparticle (electro)catalysts for sustainable production of synthetic fuels
- Database and multiscale techniques for computational materials design
Publications Overview: see Research ID A-9419-2011 or ORCID 0000-0002-1484-0284
Main Research Projects:
- SALBAGE: Sulfur-Aluminium Battery with Advanced Polymeric Gel Electrolytes (EU Horizon 2020, FET Open, 2017-2020)
- ORBATS: Organic Redox Flow Battery Systems (Innovation Fund Denmark, 2017-2020)
- LiRichFCC: A new class of powerful materials for electrochemical energy storage: Lithium-rich oxyfluorides with cubic dense packing (EU Horizon 2020, FET Open, 2016-2019)
- Villum Anniversary Grant: The Villum Center for the Science of Sustainable Fuels and Chemicals (The Velux Foundations, 2016-2024)
- ZAS: Zinc Air Secondary innovative nanotech based batteries for efficient energy storage (EU Horizon 2020, NMP 13, 2015-2018)
- NonPrecious: Initiative Towards Non-Precious Metal Polymer Fuel Cells (Innovation Fund Denmark, 2015-2018)
Expertise related to UN Sustainable Devlopment Goals
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):
Keywords
- User defined:
- Density Functional Theory (DFT)
- Materials for energy conversion and storage
- Atomic scale kinetics
- Computational materials design
- Electrochemistry and catalysis
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Research output
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1D Metal-Dithiolene Wires as a New Class of bi-functional Oxygen Reduction and Evolution Single-Atom Electrocatalysts
Deng, Q., Han, J., Zhao, J., Chen, G., Vegge, T. & Hansen, H. A., 2021, In: Journal of Catalysis. 393, p. 140-148Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile126 Downloads (Pure) -
Ab initio molecular dynamics investigations of the speciation and reactivity of deep eutectic electrolytes in aluminum batteries
Carrasco de Busturia, D., Lysgaard, S., Jankowski, P., Bhowmik, A., Vegge, T. & García Lastra, J. M., 2021, In: ChemSusChem. 14, 9, p. 2034-2041Research output: Contribution to journal › Journal article › Research › peer-review
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A comparison of single and double Co sites incorporated in N-doped graphene for the oxygen reduction reaction
Svane, K. L., Hansen, H. A. & Vegge, T., 2021, In: Journal of Catalysis. 393, p. 230-237Research output: Contribution to journal › Journal article › Research › peer-review
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Artificial Intelligence Applied to Battery Research: Hype or Reality?
Lombardo, T., Duquesnoy, M., El-Bouysidy, H., Årén, F., Gallo-Bueno, A., Jørgensen, P. B., Bhowmik, A., Demortière, A., Ayerbe, E., Alcaide, F., Reynaud, M., Carrasco, J., Grimaud, A., Zhang, C., Vegge, T., Johansson, P. & Franco, A. A., 2021, (Accepted/In press) In: Chemical Reviews. 71 p.Research output: Contribution to journal › Review › Research › peer-review
Open Access -
Automatic migration path exploration for multivalent battery cathodes using geometrical descriptors
Bölle, F. T., Bhowmik, A., Vegge, T., García Lastra, J. M. & Castelli, I. E., 2021, In: Batteries and Supercaps. 4, 9, p. 1516-1524 9 p.Research output: Contribution to journal › Journal article › Research › peer-review
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Machine Learning Models for All-Atom, Long Time-Scale Simulations of Enzymatic Catalysts
Hastrup, B. A., Vegge, T. & Bhowmik, A.
01/10/2021 → 30/09/2024
Project: PhD
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Rational Design of High Entropy Oxides for Protonic Conductive Fuel Cells
Sjølin, B. H., Castelli, I. E. & Vegge, T.
01/10/2021 → 30/09/2024
Project: PhD
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Hierarchical latent-space models for battery interface dynamics
Norwood, S. W., Vegge, T. & Bhowmik, A.
01/10/2021 → 30/09/2024
Project: PhD
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Computational Design of Electrocatalysts for the Oxygen Reduction Reaction
Sinha, S., Hansen, H. A. & Vegge, T.
15/11/2020 → 14/11/2023
Project: PhD
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Atomic Scale Simulations of Oxygen Reduction at the Solid-Liquid Interface
Yang, X., Hansen, H. A., Vegge, T. & Bhowmik, A.
01/10/2020 → 30/09/2023
Project: PhD
Activities
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Unraveling the Inner-Workings of Lithium Transition Metal Oxyfluorides Using DFT-Based Cluster Expansion Method
Jinhyun Chang (Speaker), Simon Loftager (Other), Juan Maria García Lastra (Other) & Tejs Vegge (Other)
15 May 2018Activity: Talks and presentations › Conference presentations
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Using Cluster Expansion to Characterize Battery Cathode Materials: Implementation and Application
Jinhyun Chang (Speaker), Juan Maria García Lastra (Other) & Tejs Vegge (Other)
19 Jun 2018Activity: Talks and presentations › Conference presentations
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Computational Design of Materials Atomic-scale modeling of electrode reactions in Zn-air batteries
Tejs Vegge (Invited speaker)
4 Apr 2016 → 6 Apr 2016Activity: Talks and presentations › Conference presentations
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Bayesian statistics to improve accuracy through identification and correction of systematic errors in DFT
Tejs Vegge (Invited speaker)
24 Jul 2016 → 29 Jul 2016Activity: Talks and presentations › Conference presentations
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From CO2 to Sustainable Fuels and Chemicals
Tejs Vegge (Invited speaker)
17 Oct 2016 → 19 Oct 2016Activity: Talks and presentations › Conference presentations
Prizes
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August-Wilhelm Scheer Visiting Professorship@TUM
Vegge, Tejs (Recipient), 2016
Prize: Prizes, scholarships, distinctions
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Ellen and Hans Hermers Award 2015
Vegge, Tejs (Recipient), 26 Jan 2015
Prize: Prizes, scholarships, distinctions
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Member of the Danish Academy of Technical Sciences (ATV)
Vegge, Tejs (Recipient), May 2014
Prize: Prizes, scholarships, distinctions
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PhD Supervisor the year 2017
Vegge, Tejs (Recipient), 27 Oct 2017
Prize: Prizes, scholarships, distinctions
Press / Media
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Saving the Planet With Supercomputing: Researchers Search for Greener Catalysts, Energy Sources and Batteries
29/11/2018
1 Media contribution
Press/Media: Press / Media
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Fremtidens batterier til skibs- og flytransport
09/11/2018
1 Media contribution
Press/Media: Press / Media
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Nyt gennembrud øger metal-luft-batteriers levetid
09/11/2018
1 Media contribution
Press/Media: Press / Media
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Forsknings- og uddannelsesministeren på besøg hos batteriforskere på DTU
Tejs Vegge, Johan Hjelm, Jakob Kibsgaard & Henrik Madsen
09/10/2018
1 Media contribution
Press/Media: Press / Media