Journal
JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A
Volume 38, Issue 2, Pages -Publisher
A V S AMER INST PHYSICS
DOI: 10.1116/1.5141995
Keywords
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Funding
- Department of Energy, Office of Basic Energy Sciences, Materials Science Division [DE-FG02-07ER46414]
- Computational Materials Education and Training (CoMET) NSF Research Traineeship [DGE-1449785]
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The authors present results from first-principles density functional theory aimed at understanding the aqueous solution-phase growth of fivefold twinned copper nanowires and single-crystal nanocubes capped by hexadecylamine (HDA). The role of solution-phase chloride, present in the Cu salt or as an additive, is emphasized. Using ab initio thermodynamics, the authors delineate the range of solution-phase conditions, characterized by the chemical potentials of chloride and HDA, under which Cu nanowires and nanocubes can be grown. The authors discuss the likelihood of thermodynamic and/or kinetic nanostructures for various solution-phase concentrations. Their results are in good agreement with experiments and indicate that methods and insights developed for surface science in gas-phase or vacuum conditions can yield much insight into liquid-phase systems. Published under license by AVS.
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