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Engineering | Undergraduate Research

Design of Tandem Catalysts for CO2 Reduction

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Design of Tandem Catalysts for CO2 Reduction

Dr. ArunimaSingh, a Professor for the Department of Physics has a research opening for the following project:

Solar-driven reduction of CO2 to chemical feedstock and fuels promises not only a renewable source of energy but also a means to reduce the harmful effect of this greenhouse gas in our environment. Major advancements have been made in improving the efficiencies and product selectiveness of currently known photocathodes, nonetheless, a need for rational materials discovery has been noted by the community as a step towards economical industrial-scale CO2 reduction.

In this project, first-principles simulations will be employed to design tandem catalysts which are experimentally synthesizable, robust in aqueous media, have the appropriate electronic structure for fuel generation and have stable interfaces. Through this project, the student will gain experience in density-functional theory simulations (DFT) and aid in the development of Python-based scientific workflows to enable the study of complex interfaces.


  • Computational Materials Research
  • Renewable Energy
  • Catalysis

Student qualifications/requirements: Resume, Transcript, and Contacts of Three Recommenders.

Semester(s) or start/end date of position: Fall, Spring, or Summer

Number of hours per week: 10 hours

Stipend amount/hourly wage/volunteer position: Volunteer Position, which can be funded upon satisfactory performance

Lab/Center website:

How to apply: Please send all application materials to Prof. Singh at


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