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Ke YuanAssistant Professor as of September 2026 B.S., China University of Geosciences, Beijing, 2009 |
Hello, and thank you for visiting my research website. Geochemical processes occurring at mineral–water interfaces influence weathering, metal cycling, and the properties of Earth materials. These interfacial reactions comprise a series of atomic-scale processes that are often initiated at highly reactive, non-ideal surface sites. I am interested in understanding how mineral–water interfaces respond to complex (bio)geochemical environments. Our group utilizes atomic-scale simulations, together with laboratory facilities at the nearby Brookhaven National Laboratory (BNL), to investigate:
- Mineral dissolution–reprecipitation and redox reactions
- The mobility of emerging contaminants in groundwater
- Material properties and interfacial processes under extreme conditions
I welcome inquiries from prospective undergraduate and graduate students, postdoctoral researchers, and visiting scholars interested in joining our lab. Please feel free to contact me to learn more about research opportunities.
Research Group Website: https://interface-earth.github.io
Google Scholar: https://scholar.google.com/citations?user=FhJGYIQAAAAJ&hl=en
Selected Publications:
Yuan, J. Weber, N. Rampal, Z. Fang, J. You, M.G. Boebinger, R. Zhang, W. Cha, L.M. Anovitz, S.S. Lee, A. Suzana, P. Fenter, A.G. Stack, (2026) Mechanistic Insights into Defect-Mediated Crystallization Revealed by Lattice Strain Evolution, Journal of the American Chemical Society, 148, 2, 2206-2219. https://doi.org/10.1021/jacs.5c11233
Yang, J.N. Bracco, G.C. Meneses, K. Yuan, J.E. Stubbs, M.D. Boamah, M. Brahlek, M. Sassi, P.J. Eng, M.G. Boebinger, A. Borisevich, A.K. Wanhala, Z. Wang, K.M. Rosso, A.G. Stack, J. Weber (2025) Carbonation of MgO Single Crystals: Implications for Direct Air Capture of CO₂, Environmental Science & Technology, 59, 7, 3484-3494. https://doi.org/10.1021/acs.est.4c09713
Yuan, N. Rampal, S. Adapa, B.R. Evans, J.N. Bracco, M.G. Boebinger, A.G. Stack, J. Weber (2024) Iron Impurity Impairs the CO2 Capture Performance of MgO: Insights from Microscopy and Machine Learning Molecular Dynamics, ACS Applied Materials & Interfaces, 16 (46), 64233-64243. https://doi.org/10.1021/acsami.4c13597
Yuan, N. Rampal, S. Irle, L.J. Criscenti, S.S. Lee, S. Adapa, A.G. Stack (2024) Variations in Proton Transfer Pathways and Energetics on Pristine and Defect-rich Quartz Surfaces in Water: Insights into the Bimodal Acidities of Quartz, Journal of Colloid and Interface Science, 666, 232-243. http://dx.doi.org/10.2139/ssrn.4716368
Yuan, N. Rampal, X.W. Du, F.J. Shu, Y.X. Wang, H.Y. Wang, A.G. Stack, P.B. Ishai, L.M. Anovitz, P. Xu (2024) Impact of Magnetic and Electric Fields on the Free Energy to form a Calcium Carbonate Ion pair, Physical Chemistry Chemical Physics, 26(44), 27891-27901.https://doi.org/10.1039/d4cp02041c
Y.J. Kim, B. Abdilla, K. Yuan, V.D. Andrade, N.C. Sturchio, S.S. Lee, P. Fenter (2021) Replacement of Calcium Carbonate Polymorphs by Cerussite, ACS Earth and Space Chemistry, 5 (9), 2433-2441. https://doi.org/10.1021/acsearthspacechem.1c00177
Yuan, S.S. Lee, W. Cha, A. Ulvestad, H. Kim, B. Abdilla, N.C. Sturchio, P. Fenter (2019) Oxidation Induced Strain and Defects in Magnetite Crystals. Nature Communications, 10, 703. https://doi.org/10.1038/s41467-019-08470-0
Y.J. Kim,K. Yuan, B.R. Ellis, U. Becker (2017) Redox Reactions of Selenium as Catalyzed by Magnetite: Lessons Learnt from using Electrochemistry and Spectroscopic Methods. Geochimica et Cosmochimica Acta 199, 304-323. https://ui.adsabs.harvard.edu/abs/2017GeCoA.199..304K/abstract
Yuan, E.S. Ilton, M.R. Antonio, Z. Li, P.J. Cook, U. Becker (2015) Electrochemical and Spectroscopic Evidence on the One‑electron Reduction of U(VI) to U(V) on Magnetite. Environmental Science & Technology 49, 6206-6213.https://doi.org/10.1021/acs.est.5b00025