Mahika Luthra defended her PhD theses

Doctoral candidate Mahika Luthra at the Department of Chemistry, Faculty of Mathematics and Natural Sciences, defended her thesis "Computational Study on the Electrochemical Reduction of CO2 using Transition Metal catalysts with Pendant Amines" for the degree of Philosophiae Doctor.

Photo of Mahika Luthra

Mahika Luthra.
Photo: C. Strøm / UiO. 

Trial lecture 

January 26th, 10:15 AM, Auditorium 3, Chemistry building

Trial lecture title:

“Transition state theory and its limitations in light of experiments and calculations”

The trial lecture was live streamed for everyone else.

Kreeringssammendrag/Conferral summary 

I avhandlingen sin har kandidaten studert molekylære katalysatorer for CO2-reduksjon ved bruk av density functional theory.

Gjennom dette arbeidet har kandidaten undersøkt hvordan variasjoner i metallisk sentralion og ligandstruktur påvirker produktselektiviteten fra CO2-reduksjon. Hun har også eksperimentert med fiksering av elektrokatalysatorer i metall-organiske rammeverk for å øke effektiviteten av CO2-omdanning.

Main research findings

In the global fight against climate change, reducing carbon dioxide emissions stands as a pressing challenge. An impactful solution involves converting CO2 into non-fossil-based chemicals, addressing rising greenhouse gas levels and creating chemical feedstock sustainably.

This study investigates molecular electrocatalysts containing pendant amines to understand their ability to change product selectivity in electrochemical CO2 reduction. Using density functional theory (DFT), the investigation examines the roles of metal centers and modifications in the ligand structure in determining the major product of CO2 reduction. Furthermore, the study evaluates integrating these molecular catalysts into metal-organic frameworks (MOFs), bridging theoretical findings with practical applications.

Ultimately, this research aims to offer essential knowledge for designing more selective molecular catalysts for the electrochemical reduction of CO2.

Doctoral candidate Mahika Luthra and chari of defece Professor Harald Walderhaug at Department of Chemistry, UiO.
Doctoral candidate Mahika Luthra and chari of defece Professor Harald Walderhaug, Department of Chemistry, UiO.

    Adjudication committee, Supervisors and Chair of defence

    Adjudication committee 

    • Professor Feliu Maseras 
      ICIQ, Spain
    • Assistant professor Maren Podewitz 
      TU Wien, Austria
    • Professor Truls Norby 
      Department of Chemistry, University of Oslo, Norway

    Supervisors 

    • Researcher Ainara Nova Flores, PhD. 
      Department of Chemistry, University of Oslo
    • Research Professor David Balcells 
      Department of Chemistry, University of Oslo
    • Professor Michele Cascella 
      Department of Chemistry, University of Oslo
    • Research and Development Director Esben Taarning 
      Topsoe A/S, Denmark

    Chair of defence 

    Professor Harald Walderhaug
    Department of Chemistry, University of Oslo

    Candidate contact information

    • LinkedIn: www.linkedin.com/in/mahika-luthra-911378128/  
    • Email: mahika.luthra(at)gmail.com
    Tags: Hylleraas Centre for Quantum Molecular Sciences, Hylleraas, co2 reduction
    Published Jan. 26, 2024 12:24 PM - Last modified Feb. 7, 2024 10:11 AM