2008
DOI: 10.1021/jp800780s
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Understanding the Effect of Hydrogen Surface Passivation and Etching on the Shape of Silicon Nanocrystals

Abstract: One of the significant challenges in the use of nanocrystals, is the control of crystal shape when grown from the gas-phase. Recently, the Kortshagen group has succeeded in generating cubic Si nanocrystals in a nonequilibrium plasma. In this paper we consider the energetics of various shaped Si nanocrystals, and the role that hydrogen surface termination plays. We consider cube, truncated octahedron, icosahedron, and spherical shapes for both bare and hydrogen coated silicon nanocrystals for sizes between 2 an… Show more

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Cited by 16 publications
(14 citation statements)
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“…[117] Moreover, molecular dynamic simulation suggested that the presence of H in the plasma favored the formation of cubic-shaped nanocrystals. [119] …”
Section: Particle Dispersion and Crystallinitymentioning
confidence: 99%
“…[117] Moreover, molecular dynamic simulation suggested that the presence of H in the plasma favored the formation of cubic-shaped nanocrystals. [119] …”
Section: Particle Dispersion and Crystallinitymentioning
confidence: 99%
“…Reproduced from[152] by permission of IOP Publishing. All rights reserved]; surface coverage by hydrogen is a key factor in thermokinetic shape selection (b) [Reprinted/adapted with permission from[155]. Copyright c (2008) American Chemical Society].…”
mentioning
confidence: 99%
“…During the hydrogen etching process, both etching and redeposition of the Si atoms/radicals occur and the Si surface was reproduced to have the most energetically stable shapes [ 18 , 21 ]. The (100) surface of Si is more rapidly etched than (110) and (111) surfaces [ 22 ]. As a result, pyramid-shaped Si nanostructures of which side faces comprise energetically stable (111) crystalline surfaces are formed [ 23 ].…”
Section: Resultsmentioning
confidence: 99%