TY - JOUR
T1 - Crystal growth inhibition by impurity stoppers, now
AU - Shtukenberg, Alexander G.
AU - Ward, Michael D.
AU - Kahr, Bart
N1 - Funding Information:
The authors acknowledge support from the National Science Foundation Materials Research Science and Engineering Center program under Award Number DMR-1420073 as well as from Award Numbers DMR-1708716 and DMR2003968 .
Publisher Copyright:
© 2022
PY - 2022/11/1
Y1 - 2022/11/1
N2 - Impurities and intentionally introduced additives can exert significant influence on crystal growth, and they can play a critical role in crystallization processes. Additives can inhibit growth by binding to the edge of advancing steps. So-called “stopper” mechanisms, described by Cabrera-Vermilyea and Bliznakov, are regarded as the most effective mode of inhibition. Growth inhibition kinetic data, however, often do not fit these models, prompting the use of various corrections and numerical simulations. In this perspective, we briefly describe approaches to more accurate modeling of kinetic data that reveal the limits of accurate and quantitative agreement with the aforementioned models. Kinetic data for crystal growth on the {0001} faces of L-cystine single crystals in the presence of the dimethylester of L-cystine, a proven growth inhibitor described as a “molecular imposter” or “tailor-made additive,” is simulated using a numerical model that incorporates chaotic distribution of stoppers over the crystal surface. A related analysis is included for potassium dihydrogen phosphate.
AB - Impurities and intentionally introduced additives can exert significant influence on crystal growth, and they can play a critical role in crystallization processes. Additives can inhibit growth by binding to the edge of advancing steps. So-called “stopper” mechanisms, described by Cabrera-Vermilyea and Bliznakov, are regarded as the most effective mode of inhibition. Growth inhibition kinetic data, however, often do not fit these models, prompting the use of various corrections and numerical simulations. In this perspective, we briefly describe approaches to more accurate modeling of kinetic data that reveal the limits of accurate and quantitative agreement with the aforementioned models. Kinetic data for crystal growth on the {0001} faces of L-cystine single crystals in the presence of the dimethylester of L-cystine, a proven growth inhibitor described as a “molecular imposter” or “tailor-made additive,” is simulated using a numerical model that incorporates chaotic distribution of stoppers over the crystal surface. A related analysis is included for potassium dihydrogen phosphate.
KW - A1. Computer simulation
KW - A1. Growth kinetics
KW - A1. Growth models
KW - A1. Impurities
KW - A1. Surface processes
KW - B1. Cystine
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U2 - 10.1016/j.jcrysgro.2022.126839
DO - 10.1016/j.jcrysgro.2022.126839
M3 - Article
AN - SCOPUS:85136706828
SN - 0022-0248
VL - 597
JO - Journal of Crystal Growth
JF - Journal of Crystal Growth
M1 - 126839
ER -