• Anker Engelunds Vej, 301, 113

    2800 Kgs. Lyngby

    Denmark

1993 …2021

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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):

  • SDG 3 - Good Health and Well-being
  • SDG 7 - Affordable and Clean Energy
  • SDG 13 - Climate Action

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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