Journal Article•
A new law of crystal morphology extending the law of Bravais
About: This article is published in American Mineralogist.The article was published on 1937-05-01 and is currently open access. It has received 815 citations till now.
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TL;DR: The General Utility Lattice Program (GULP) as discussed by the authors has been extended to include the ability to simulate polymers and surfaces, as well as adding many other new features, and the current status of the program is fully documented.
Abstract: The General Utility Lattice Program (GULP) has been extended to include the ability to simulate polymers and surfaces, as well as adding many other new features, and the current status of the program is fully documented. Both the background theory is described, as well as providing a concise review of some of the previous applications in order to demonstrate the range of its use. Examples are presented of work performed using the new compatibilities of the software, including the calculation of Born effective charges, mechanical properties as a function of applied pressure, calculation of frequency-dependent dielectric data, surface reconstructions of calcite and the performance of a linear-scaling algorithm for bond-order potentials.
1,987 citations
TL;DR: The currently proposed shape-guiding mechanisms are presented and the important pioneering studies on the assembly of shape-controlled nanocrystals into ordered superlattices and the fabrication of prototype advanced nanodevices are discussed.
Abstract: Inorganic nanocrystals with tailored geometries exhibit unique shape-dependent phenomena and subsequent utilization of them as building blocks for the fabrication of nanodevices is of significant interest. Herein, we review the recent developments in the shape control of colloidal nanocrystals with a focus on the scientifically and technologically important semiconductor and metal oxide nanocrystals obtained by nonhydrolytic synthetic methods. Many structurally unprecedented motifs have been discovered including polyhedrons, rods and wires, plates and prisms, and other advanced shapes such as branched rods, stars, inorganic dendrites, and dumbbells. The currently proposed shape-guiding mechanisms are presented and the important pioneering studies on the assembly of shape-controlled nanocrystals into ordered superlattices and the fabrication of prototype advanced nanodevices are discussed.
1,101 citations
TL;DR: In this article, the growth mechanism and growth habit of oxide crystals are investigated from a kinetics viewpoint, starting from the hypothesis of growth unit, and a new rule concerning the growth habit is deduced considering the relation between the growth rate and the orientation of the coordination polyhedron at the interface.
1,080 citations
TL;DR: In this paper, high-resolution transmission electron microscopy (HRTEM) and X-ray diffraction (XRD) peak broadening (Scherer) analysis were used to study coarsening and morphology development of nanocrystals.
940 citations
TL;DR: In this article, the attachment energy Eatt, defined as the energy per molecule released when one slice of thickness dckl crystallizes onto a crystal face (hkl), was investigated and it was shown that the relative growth rate R of a face always increases with increasing Eatt.
630 citations