Towards an atomic-scale understanding of crystal growth in solution

Vlieg, E.; Deij, M.A.; Kamiński, Daniel; Meekes, Hugo; Enckevort, Willem van

doi:10.1039/b618566p

Cited by 12 publications

(16 citation statements)

References 36 publications

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“…The nucleation of atoms and molecules in the gas phase, or liquid, to the solid state is still an active research field [1][2][3][4][5][6][7][8]. Rowland noted in 1949 that "The gap between theory and the experimental approaches to nucleation has been too wide" and "the subject [nucleation] is still in the alchemical stage" [9].…”

Section: Introductionmentioning

confidence: 99%

From sticky-hard-sphere to Lennard-Jones-type clusters

Trombach

Hoy

Wales³

et al. 2018

Phys. Rev. E

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A relation M_{SHS→LJ} between the set of nonisomorphic sticky-hard-sphere clusters M_{SHS} and the sets of local energy minima M_{LJ} of the (m,n)-Lennard-Jones potential V_{mn}^{LJ}(r)=ɛ/n-m[mr^{-n}-nr^{-m}] is established. The number of nonisomorphic stable clusters depends strongly and nontrivially on both m and n and increases exponentially with increasing cluster size N for N≳10. While the map from M_{SHS}→M_{SHS→LJ} is noninjective and nonsurjective, the number of Lennard-Jones structures missing from the map is relatively small for cluster sizes up to N=13, and most of the missing structures correspond to energetically unfavorable minima even for fairly low (m,n). Furthermore, even the softest Lennard-Jones potential predicts that the coordination of 13 spheres around a central sphere is problematic (the Gregory-Newton problem). A more realistic extended Lennard-Jones potential chosen from coupled-cluster calculations for a rare gas dimer leads to a substantial increase in the number of nonisomorphic clusters, even though the potential curve is very similar to a (6,12)-Lennard-Jones potential.

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Section: Introductionmentioning

confidence: 99%

From sticky-hard-sphere to Lennard-Jones-type clusters

Trombach

Hoy

Wales³

et al. 2018

Phys. Rev. E

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show abstract

“…The difference between the observed and predicted morphology may be attributable to growth conditions such as seed orientation, flux system, concentration, and cooling rate. 16 The crystalline quality of the as-grown a-BaTeMo 2 O 9 cyrstal was checked by HRXRD. Fig.…”

Section: Resultsmentioning

confidence: 99%

Bulk crystal growth and characterization of a new polar polymorph of BaTeMo2O9: α-BaTeMo2O9

Zhang

Sun

et al. 2011

CrystEngComm

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“…level of supersaturation, solvent used and solution purity) at the crystal interface is not fully understood. 2 Thus crystal growth in solutions is an active area of research.…”

Section: Importance and Difficulties Of Studying Crystal Growth In So...mentioning

confidence: 99%