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
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
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
Growing crystals by design: General discussion
Anderson, M., Bennett, M., Cedeno, R., Dudek, M. K., Fichthorn, K., Finney, A. R., Ford, I., Freeman, C., Hare, A., Hewson, C., Hill, A., Kim, J., Kirschhock, C., Kuttner, C., Meldrum, F., Nilsson Lill, S. O., Pooley, R., Rietveld, I. B., Rimer, J. & Roberts, K. & 8 others, , Jul 4 2022, In: Faraday Discussions. 235, p. 383-405 23 p.Research output: Contribution to journal › Comment/debate › peer-review
Understanding crystal nucleation mechanisms: Where do we stand? General discussion
Anderson, M. W., Bennett, M., Cedeno, R., Cölfen, H., Cox, S. J., Cruz-Cabeza, A. J., de Yoreo, J. J., Drummond-Brydson, R., Dudek, M. K., Fichthorn, K. A., Finney, A. R., Ford, I., Galloway, J. M., Gebauer, D., Grossier, R., Harding, J. H., Hare, A., Horváth, D., Hunter, L. & Kim, J. & 29 others, , Jul 5 2022, In: Faraday Discussions. 235, p. 219-272 54 p.Research output: Contribution to journal › Comment/debate › peer-review