Journal ArticleDOI
Shape-controlled synthesis of silver nanoparticles: Ab initio study of preferential surface coordination with citric acid
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TLDR
In this article, the experimental control of silver nanoparticle shape in citric acid solution is rationalized by ab initio calculations, and the approximate threefold symmetry of the acid matches that of Ag(1 1 1 1) and results in four silver-oxygen bonds.About:
This article is published in Chemical Physics Letters.The article was published on 2008-06-06. It has received 210 citations till now. The article focuses on the topics: Citric acid & Ab initio.read more
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Shape‐Controlled Synthesis of Metal Nanocrystals: Simple Chemistry Meets Complex Physics?
TL;DR: A comprehensive review of current research activities that center on the shape-controlled synthesis of metal nanocrystals, including a brief introduction to nucleation and growth within the context of metal Nanocrystal synthesis, followed by a discussion of the possible shapes that aMetal nanocrystal might take under different conditions.
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Controlling the synthesis and assembly of silver nanostructures for plasmonic applications
Matthew Rycenga,Claire M. Cobley,Jie Zeng,Weiyang Li,Christine H. Moran,Qiang Zhang,Dong Qin,Younan Xia +7 more
TL;DR: In plasmonics, the metal nanostructures can serve as antennas to convert light into localized electric fields (E-fields) or as waveguides to route light to desired locations with nanometer precision through a strong interaction between incident light and free electrons in the nanostructure.
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Environmental transformations of silver nanoparticles: impact on stability and toxicity.
Clément Levard,Clément Levard,E. Matt Hotze,E. Matt Hotze,Gregory V. Lowry,Gregory V. Lowry,Gordon E. Brown,Gordon E. Brown,Gordon E. Brown +8 more
TL;DR: In this paper, the major transformation processes of Ag-NPs in various aqueous environments, particularly transformations of the metallic Ag cores caused by reactions with (in)organic ligands, and the effects of such transformations on physical and chemical stability and toxicity are discussed.
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Polyvinylpyrrolidone (PVP) in nanoparticle synthesis
Kallum M. Koczkur,Stefanos Mourdikoudis,Stefanos Mourdikoudis,Lakshminarayana Polavarapu,Lakshminarayana Polavarapu,Sara E. Skrabalak +5 more
TL;DR: The concluding guidelines provided herein should enable new nanostructures to be accessed facilely, and the properties of PVP-capped NPs for surface enhanced Raman spectroscopy (SERS), assembly, catalysis, and more are discussed.
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Shape-Controlled Synthesis of Colloidal Metal Nanocrystals: Thermodynamic versus Kinetic Products
TL;DR: This Perspective provides a contemporary understanding of the shape evolution of colloidal metal nanocrystals under thermodynamically and kinetically controlled conditions and extends the mechanistic insights learnt to account for the products of conventional one-pot syntheses that involve self-nucleation only.
References
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.
Georg Kresse,Jürgen Furthmüller +1 more
TL;DR: An efficient scheme for calculating the Kohn-Sham ground state of metallic systems using pseudopotentials and a plane-wave basis set is presented and the application of Pulay's DIIS method to the iterative diagonalization of large matrices will be discussed.
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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
Georg Kresse,Jürgen Furthmüller +1 more
TL;DR: A detailed description and comparison of algorithms for performing ab-initio quantum-mechanical calculations using pseudopotentials and a plane-wave basis set is presented in this article. But this is not a comparison of our algorithm with the one presented in this paper.
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Soft self-consistent pseudopotentials in a generalized eigenvalue formalism.
TL;DR: Novel features are that the pseudopotential itself becomes charge-state dependent, the usual norm-conservation constraint does not apply, and a generalized eigenproblem is introduced.
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Ab initio molecular-dynamics simulation of the liquid-metal-amorphous-semiconductor transition in germanium.
Georg Kresse,Jürgen Hafner +1 more
TL;DR: The simulation allows us to study in detail the changes in the structure-property relationship through the metal-semiconductor transition, and a detailed analysis of the local structural properties and their changes induced by an annealing process is reported.
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Semiconductor Clusters, Nanocrystals, and Quantum Dots
TL;DR: In this article, the authors focus on the properties of quantum dots and their ability to join the dots into complex assemblies creates many opportunities for scientific discovery, such as the ability of joining the dots to complex assemblies.