Background

Education

The Ohio State University, B.S. Chemical Engineering (2014)
Purdue University, Ph.D. Chemical Engineering (2014 – present)

Experience

• Asthagiri Group for Computational Catalysis, Research Assistant (2013 - 2014)
• Marathon Petroleum Company, Refining Co-op (Apr. 2012 - Dec. 2012)
• ATI Allegheny Ludlum, Process Engineering Intern (Summer 2011)

Awards

• Purdue School of Chemical Engineering Travel Award (for 2016 Materials Research Society Fall Meeting & Exhibit)
• 1st Place Poster Presentation, Materials & Nanotechnology Division, 2016 Purdue School of Chemical Engineering GSO Research Symposium, 2016
• NSF Graduate Research Fellowship Honorable Mention, 2015
• Outstanding Undergraduate Award for Research Excellence – The Ohio State University, 2014

Project Description

Solar and wind technologies are promising forms of renewable energy, but are limited by intermittent inputs. This motivates the development of energy storage devices to facilitate energy distribution systems. Since their commercialization in the early 1990’s, Li-ion batteries have been ubiquitous in consumer electronics. However, the introduction of Li-ion technology into the transportation sector requires significant improvements in their energy density and stability.

I am using first principles simulation techniques, such as density functional theory (DFT) and ab initio molecular dynamics (AIMD), to understand the chemistry at electrode / electrolyte interfaces in Li-ion cells. Molecular simulations provide insight into observed capacity fading and structural changes upon lithiation / delithiation of candidate battery electrodes. A fundamental understanding Li-ion surface chemistry can motivate the rational design of robust electrode materials for enhanced performance. This research is a collaborative effort through the Center for Electrochemical Energy Science (CEES), a DOE Energy Frontier Research Center.

Publications

• Warburton, R. E.; Iddir, H.; Curtiss, L. A.; Greeley, J.; Thermodynamic Stability of Low- and High-Index Spinel LiMn₂O₄ Surface Terminations. ACS Appl. Mater. Interfaces, 8 (17), 11108-11121, (2016).

Presentations

• Warburton, R. E.; Iddir, H.; Curtiss, L. A.; Chen, X.; Fister, T. T.; Fenter, P.; Chen, L.; Elam, J. W.; Greeley, J.; First Principles Study of the Interfacial Structure Between Spinel LiMn₂O₄ and Protective Thin Films. 2016 Materials Research Society Fall Meeting & Exhibit, Boston, MA, November 2016 (Oral Presentation).
• Warburton, R. E.; Iddir, H.; Chen, L.; Chen, X.; Fister, T. T.; Fenter, P.; Curtiss, L. A.; Elam, J. W.; Greeley, J.; First Principles Study of the Interfacial Structure Between Spinel LiMn₂O₄ and Protective Thin Films. 2016 Spring Center for Electrochemical Energy Science All Hands Meeting, Evanston, IL, July 2016 (Oral Presentation).
• Warburton, R. E.; Iddir, H.; Curtiss, L. A.; Elam, J. W.; Greeley, J.; First Principles Study of the Interfacial Structure Between Spinel LiMn₂O₄ and Protective Thin Films. 18th International Meeting on Lithium Batteries, Chicago, IL, June 2016 (Poster Presentation).
• Warburton, R. E.; Asthagiri, A. R.; The Oxygen Reduction Reaction on Nitrogen-Doped Graphene: A Density Functional Theory Study. AIChE Annual Student Conference, San Francisco, CA, November 2013 (Poster Presentation).