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 andResearch Keywords
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Recent Publications
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
Isotropic Iodide Adsorption Causes Anisotropic Growth of Copper Microplates
Kim, M. J., Cruz, M. A., Chen, Z., Xu, H., Brown, M., Fichthorn, K. A. & Wiley, B. J., Feb 9 2021, In: Chemistry of Materials. 33, 3, p. 881-891 11 p.Research output: Contribution to journal › Article › peer-review
Self-Assembly of a Linear Alkylamine Bilayer around a Cu Nanocrystal: Molecular Dynamics
Yan, T. & Fichthorn, K. A., Apr 29 2021, In: Journal of Physical Chemistry B. 125, 16, p. 4178-4186 9 p.Research output: Contribution to journal › Article › peer-review
Oriented attachment mechanism of triangular Ag nanoplates: A molecular dynamics study
Balankura, T., Yan, T., Jahanmahin, O., Narukatpichai, J., Ng, A., Fichthorn, K. A. & Fichthorn, K. A., Jun 2020, In: Nanoscale Advances. 2, 6, p. 2265-2270 6 p.Research output: Contribution to journal › Article › peer-review
Development and initial applications of an e-ReaxFF description of Ag nanoclusters
Evangelisti, B., Fichthorn, K. A. & Van Duin, A. C. T., Sep 14 2020, In: Journal of Chemical Physics. 153, 10, 104106.Research output: Contribution to journal › Article › peer-review
Surface science of shape-selective metal nanocrystal synthesis from first-principles: Growth of Cu nanowires and nanocubes
Fichthorn, K. A. & Chen, Z., Mar 1 2020, In: Journal of Vacuum Science and Technology A: Vacuum, Surfaces and Films. 38, 2, 023210.Research output: Contribution to journal › Article › peer-review
Assembly of Gold Nanowires on Gold Nanostripe Arrays: Simulation and Experiment
Jahanmahin, O., Kirby, D. J., Smith, B. D., Albright, C. A., Gobert, Z. A., Keating, C. D. & Fichthorn, K. A., Apr 30 2020, In: Journal of Physical Chemistry C. 124, 17, p. 9559-9571 13 p.Research output: Contribution to journal › Article › peer-review