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Title: Stabilization of the γ-Sn phase in tin nanoparticles and nanowires

Structures of Sn nanoparticles and nanowires are studied using density functional theory in conjunction with thermodynamic considerations. Besides the low-temperature α and room-temperature β phases, the high-temperature γ phase is considered. Results show that at ambient temperatures for sizes smaller than 50 nm, metallic β- and γ-Sn nanoparticles are more stable than semimetallic α-Sn ones because of their lower surface energies. Moreover, very small Sn nanostructures, exemplified by nanowires, are expected to exhibit the γ phase even at 0 K.
Authors:
;  [1] ;  [2] ;  [3]
  1. Helmholtz Institute Ulm (HIU) Electrochemical Energy Storage, Helmholtzstr. 11 and Universität Ulm, Institut für Theoretische Chemie, Albert-Einstein-Allee 11, 89069 Ulm (Germany)
  2. Institut für Materialwissenschaft, Fachgebiet Materialmodellierung, Technische Universität Darmstadt, Jovanka-Bontschits-Str. 2, 64287 Darmstadt (Germany)
  3. Physikalische und Theoretische Chemie, Institut für Chemie und Biochemie, Freie Universität Berlin, Takustr. 3, 14195 Berlin (Germany)
Publication Date:
OSTI Identifier:
22482138
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 107; Journal Issue: 12; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; AMBIENT TEMPERATURE; DENSITY FUNCTIONAL METHOD; NANOPARTICLES; NANOWIRES; STABILIZATION; SURFACE ENERGY; TIN