Research Summary
Applying atomistic simulation techniques, quantum mechanics, and condensed-matter theory to study materials interfaces with a focus on thin-film epitaxy; growth, transformation, and assembly of nanoscale materials; multi-scale simulation of materials andIn the News
Research Keywords
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Recent Publications
Solution-Phase Growth of Metal Nanowires
Fichthorn, K. A., Feb 19 2025, In: Industrial and Engineering Chemistry Research. 64, 7, p. 3603-3613 11 p.Research output: Contribution to journal › Review article › peer-review
A study of Cl adsorption on Pt(111) and Pt(100) using Ab Initio Grand-canonical Monte Carlo
Kim, E. M., Kim, J. & Fichthorn, K. A., Feb 2025, In: Surface Science. 752, 122647.Research output: Contribution to journal › Article › peer-review
Effect of Particle Composition on Dielectrophoretic Co-Assemblies around Topographic Features: Experiment and Theory
Hendrickson-Stives, A. K., Jahanmahin, O., Fichthorn, K. A. & Keating, C. D., Aug 1 2024, In: Journal of Physical Chemistry C. 128, 30, p. 12604-12617 14 p.Research output: Contribution to journal › Article › peer-review
Biobased Polymers Enabling the Synthesis of Ultralong Silver Nanowires and Other Nanostructures
Liu, F., Robinson, W. L., Kirscht, T., Fichthorn, K. A. & Jiang, S., Nov 13 2024, In: Nano letters. 24, 45, p. 14381-14388 8 p.Research output: Contribution to journal › Article › peer-review
Elucidating the Role of Reduction Kinetics in the Phase-Controlled Growth on Preformed Nanocrystal Seeds: A Case Study of Ru
Nguyen, Q. N., Kim, E. M., Ding, Y., Janssen, A., Wang, C., Li, K. K., Kim, J., Fichthorn, K. A. & Xia, Y., May 1 2024, In: Journal of the American Chemical Society. 146, 17, p. 12040-12052 13 p.Research output: Contribution to journal › Article › peer-review
Uneven Strain Distribution Induces Consecutive Dislocation Slipping, Plane Gliding, and Subsequent Detwinning of Penta-Twinned Nanoparticles
Song, M., Cui, J., Ophus, C., Lee, J., Yan, T., Fichthorn, K. A. & Li, D., Jan 31 2024, In: Nano letters. 24, 4, p. 1153-1159 7 p.Research output: Contribution to journal › Article › peer-review
Development of a ReaxFF Reactive Force Field for Pt/Cl Systems with Application to Platinum Metal Etching with Chlorine and Hydrogen Chloride Gases
Talkhoncheh, M. K., Shin, Y. K., Kim, J., Jahanmahin, O., Fichthorn, K. & van Duin, A. C. T., Sep 26 2024, In: Journal of Physical Chemistry A. 128, 38, p. 8232-8243 12 p.Research output: Contribution to journal › Article › peer-review
Quantifying temperature- and composition-dependent structures of AgCu nanocrystals using machine learning
Zhang, H. & Fichthorn, K. A., 2024, (Accepted/In press) In: Journal of Materials Research. 122349.Research output: Contribution to journal › Article › peer-review
Size and temperature dependent shapes of copper nanocrystals using parallel tempering molecular dynamics
Zhang, H., Khan, M. A., Yan, T. & Fichthorn, K. A., Mar 18 2024, In: Nanoscale. 16, 23, p. 11146-11155 10 p.Research output: Contribution to journal › Article › peer-review
Structural classification of Ag and Cu nanocrystals with machine learning
Zhang, H. & Fichthorn, K. A., Aug 23 2024, In: Nanoscale. 16, 36, p. 17154-17164 11 p.Research output: Contribution to journal › Article › peer-review
Diffusion growth mechanism of penta-twinned Ag nanocrystals from decahedral seeds
Cui, J., Phul, S. & Fichthorn, K. A., Apr 28 2023, In: Journal of Chemical Physics. 158, 16, 164707.Research output: Contribution to journal › Article › peer-review
Theory of Anisotropic Metal Nanostructures
Fichthorn, K. A., Apr 12 2023, In: Chemical Reviews. 123, 7, p. 4146-4183 38 p.Research output: Contribution to journal › Review article › peer-review
Nanoparticle Assembly and Oriented Attachment: Correlating Controlling Factors to the Resulting Structures
Li, D., Chen, Q., Chun, J., Fichthorn, K., De Yoreo, J. & Zheng, H., Mar 22 2023, In: Chemical Reviews. 123, 6, p. 3127-3159 33 p.Research output: Contribution to journal › Review article › peer-review
Chloride enables the growth of Ag nanocubes and nanowires by making PVP binding facet-selective
Xu, H., Chen, Z., Hao, S., Fichthorn, K. A. & Wiley, B. J., Feb 14 2023, In: Nanoscale. 15, 11, p. 5219-5229 11 p.Research output: Contribution to journal › Article › peer-review
Minimum Free-Energy Shapes of Ag Nanocrystals: Vacuum vs Solution
Yan, T., Zhang, H. & Fichthorn, K. A., Oct 10 2023, In: ACS nano. 17, 19, p. 19288-19304 17 p.Research output: Contribution to journal › Article › peer-review