Go to primary content (press enter)

DTU Physics

Department of Physics

  • Research
  • Teaching
  • Collaboration
  • About
  • Contact
  • Search
  • Contact
Explore
  1. Frontpage
  2. Research
  3. Centers
  4. CatTheory - Catalysis Theory Center
  5. The Bagger Group
Share on
back
  • About CatTheory
  • News
  • The Nørskov Group
  • The Bligaard Group
  • The Bagger Group
  • The Kastlunger Group
  • Staff
  • Administration

Computational Catalysis

The Bagger group is focussed on the fundamental understanding and improvement of catalytic processes with applications in sustainable energy conversion.

The key interests of the group are:

  • State-of-the-art ab initio approaches (e.g. DFT)
  • Novel Reactions and materials
  • Development of predictive models and descriptors
  • Computational screening for active and selective catalysts

 

List of Publications:

Google scholar

Selected Publications:

Water increases the Faradaic selectivity of Li-mediated nitrogen reduction
M Spry, O Westhead, R Tort, B Moss, Y Katayama, MM Titirici, IEL Stephens, A Bagger
ACS Energy Letters 8 (2), 1230-1235 (2023)

Electrochemical Synthesis of Urea: Co-reduction of Nitric Oxide and Carbon Monoxide
H Wan, X Wang, L Tan, M Filippi, P Strasser, J Rossmeisl, A Bagger
ACS Catalysis 13, 1926-1933 (2022)

Role of Catalyst in Controlling N2 Reduction Selectivity: A Unified View of Nitrogenase and Solid Electrodes
A Bagger, H Wan, IEL Stephens, J Rossmeisl
ACS Catalysis 11 (11), 6596-660 (2021)

Electrochemical CO2 Reduction: Classifying Cu Facets
A Bagger, W Ju, AS Varela, P Strasser, J Rossmeisl
ACS Catalysis 9 (9), 7894-7899 (2019)

Electrochemical CO2 Reduction: A Classification Problem
A Bagger, W Ju, AS Varela, P Strasser, J Rossmeisl
ChemPhysChem 18 (22), 3266-3273 (2017)


DTU Physics

Department of Physics

Address

DTU Lyngby Campus

Building 307 & 309-313
2800 Kgs. Lyngby, Fysikvej

DTU Risø Campus

Building 106 & 201
4000 Roskilde, Frederiksborgvej 399

info@fysik.dtu.dk
Tel.: +45 2381 4736
VAT: 30060946
EAN: 5798000431010

Shortcuts

  • Phonebook
  • Directions/map
  • See all vacant positions at DTU Physics
  • Supplier information (CVR and EAN)
  • Course base
  • DTU Inside (login)
  • DTU Library
  • DTU Orbit (Research database)
LinkedIn
Use of personal data Cookie overview Accessibility