Journal
CHEMICAL PHYSICS LETTERS
Volume 458, Issue 1-3, Pages 113-116Publisher
ELSEVIER
DOI: 10.1016/j.cplett.2008.04.046
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The experimental control of silver nanoparticle shape in citric acid solution is rationalized by ab initio calculations. The approximate three-fold symmetry of the acid matches that of Ag(1 1 1) and results in four silver-oxygen bonds. In contrast, citric acid forms only two bonds with Ag(1 0 0) because of the geometry mismatch. Migration of a hydrogen atom within citric acid activates the electrons of the carboxyl oxygens and provides additional binding affinity towards Ag(1 1 1). The preferential binding energy of citric acid to Ag(1 1 1) promotes crystal growth along the Ag(1 0 0) surface. (C) 2008 Elsevier B.V. All rights reserved.
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