General Lab Information

Jennifer Bjorklund

Research Associate Materials Science, Theory/Computation, Center for Functional Nanomaterials

Jennifer Bjorklund

Brookhaven National Laboratory

Center for Functional Nanomaterials
Bldg. 735
P.O. Box 5000
Upton, NY 11973-5000

Using quantum chemistry and theoretical modeling, my work focuses on sustainable nanotechnology and understanding the relationship between structure, properties, and synthesis that ultimately control reactions at the solid-water interface. By working closely with experimentalists, I provide a molecular-level picture of different processes: adsorption/desorption, dissolution, ion exchange, surface termination and transformation, etc. By knowing the intricacies of these processes, my work informs on the design on materials with specific desired properties. 

Expertise | Research | Education | Publications

Expertise

Density Functional Theory (DFT), Atomistic Modeling, Thermodynamics, Interfaces, Nanomaterials, Geochemistry

Research Activities

I am part of the NSF Center for Sustainable Nanotechnology, a multi-institutional collaboration spread across the United States that focuses on understanding the impact that new technologically-relevant materials have on the environment and discovering ways to improve these materials.  

Education

Doctorate of Philosophy, Chemistry                                     University of Iowa, 2020
Dissertation: First-Principles Insights on Aluminum Nanocluster Reactivity and Crystallization for Environmental Remediation

Bachelor of Arts, Chemistry                                     Illinois Wesleyan University, 2015
Research: Polyoxometalate-Catalyzed Organic Dye Degradation

Selected Publications

  • Bjorklund JL, Shohel M, Bennett JW, et al (2021) Density functional theory and thermodynamics analysis of MAl12 Keggin substitution reactions: Insights into ion incorporation and experimental confirmation. The Journal of Chemical Physics 154:. https://doi.org/10.1063/5.0038962
  • Tamijani AA, Bjorklund JL, Augustine LJ, et al (2020) Density Functional Theory and Thermodynamics Modeling of Inner-Sphere Oxyanion Adsorption on the Hydroxylated α-Al2O3(001) Surface. Langmuir 36:13166–13180. https://doi.org/10.1021/acs.langmuir.0c01203
  • Bjorklund JL, Pyrch MM, Basile MC, et al (2019) Actinyl-cation interactions: experimental and theoretical assessment of [Np(VI)O2Cl4]2− and [U(VI)O2Cl4]2− systems. Dalton Transactions 48:8861–8871. https://doi.org/10.1039/c9dt01753d
Jennifer Bjorklund

Brookhaven National Laboratory

Center for Functional Nanomaterials
Bldg. 735
P.O. Box 5000
Upton, NY 11973-5000

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