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
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
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
Controlling polymorphism: General discussion
Cedeno, R., Cruz-Cabeza, A., Drummond-Brydson, R., Dudek, M. K., Edkins, K., Fichthorn, K., Finney, A. R., Ford, I., Galloway, J. M., Grossier, R., Kim, J., Kuttner, C., Maini, L., Meldrum, F., Miller, M., Morris, P., Nilsson Lill, S. O., Pokroy, B., Price, S., Rietveld, I. B., & 11 others, Jul 5 2022, In: Faraday Discussions. 235, p. 508-535 28 p.Research output: Contribution to journal › Comment/debate › peer-review
OptiBoost: A method for choosing a safe and efficient boost for the bond-boost method in accelerated molecular dynamics simulations with hyperdynamics
Cui, J. & Fichthorn, K. A., May 28 2022, In: Journal of Chemical Physics. 156, 20, 204107.Research output: Contribution to journal › Article › peer-review
Green chemistry and first-principles theory enhance catalysis: synthesis and 6-fold catalytic activity increase of sub-5 nm Pd and Pt@Pd nanocubes
Mastronardi, V., Kim, J., Veronesi, M., Pomili, T., Berti, F., Udayan, G., Brescia, R., Diercks, J. S., Herranz, J., Bandiera, T., Fichthorn, K. A., Pompa, P. P. & Moglianetti, M., Jun 30 2022, In: Nanoscale. 14, 28, p. 10155-10168 14 p.Research output: Contribution to journal › Article › peer-review
Adsorption of alkylamines on Cu surfaces: Identifying ideal capping molecules using first-principles calculations
Chen, Z. & Fichthorn, K. A., Nov 28 2021, In: Nanoscale. 13, 44, p. 18536-18545 10 p.Research output: Contribution to journal › Article › peer-review
Adsorption of ethylenediamine on Cu surfaces: Attributes of a successful capping molecule using first-principles calculations
Chen, Z. & Fichthorn, K. A., Aug 21 2021, In: Nanoscale. 13, 31, p. 13529-13537 9 p.Research output: Contribution to journal › Article › peer-review
Shapes and shape transformations of solution-phase metal particles in the sub-nanometer to nanometer size range: Progress and challenges
Fichthorn, K. A. & Yan, T., Feb 25 2021, In: Journal of Physical Chemistry C. 125, 7, p. 3668-3679 12 p.Research output: Contribution to journal › Review article › peer-review
Understanding the Solution-Phase Growth of Cu and Ag Nanowires and Nanocubes from First Principles
Fichthorn, K. A., Chen, Z., Chen, Z., Rioux, R. M., Kim, M. J. & Wiley, B. J., Apr 20 2021, In: Langmuir. 37, 15, p. 4419-4431 13 p.Research output: Contribution to journal › Article › peer-review