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Bioengineered metal nanoparticles: s...

Ramezani-Dakhel, Hadi.

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Bioengineered metal nanoparticles: shape control, structure, and catalytic functionality.

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	Bioengineered metal nanoparticles: shape control, structure, and catalytic functionality./
作者:	Ramezani-Dakhel, Hadi.
面頁冊數:	254 p.
附註:	Source: Dissertation Abstracts International, Volume: 76-11(E), Section: B.
Contained By:	Dissertation Abstracts International76-11B(E).
標題:	Biochemistry. -
電子資源:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=3710358
ISBN:	9781321862157

Bioengineered metal nanoparticles: shape control, structure, and catalytic functionality.
Ramezani-Dakhel, Hadi.

Bioengineered metal nanoparticles: shape control, structure, and catalytic functionality. - 254 p.

Source: Dissertation Abstracts International, Volume: 76-11(E), Section: B.

Thesis (Ph.D.)--The University of Akron, 2015.

Bioengineered colloidal noble metal nanoparticles have received much attention thanks to their superior functionality in variety of applications including catalysis, nanoelectronics, biosensors, and biomedicine. Size, shape, and surface features dictate the functionality while the underlying mechanisms of interactions at the interface of biomolecules and nanoscale metal substrates are not yet fully understood.

ISBN: 9781321862157Subjects--Topical Terms:

518028
Biochemistry.

Bioengineered metal nanoparticles: shape control, structure, and catalytic functionality.
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100 1 $a Ramezani-Dakhel, Hadi. $3 3195126
245 1 0 $a Bioengineered metal nanoparticles: shape control, structure, and catalytic functionality.
300 $a 254 p.
500 $a Source: Dissertation Abstracts International, Volume: 76-11(E), Section: B.
500 $a Adviser: Hendrik Heinz.
502 $a Thesis (Ph.D.)--The University of Akron, 2015.
520 $a Bioengineered colloidal noble metal nanoparticles have received much attention thanks to their superior functionality in variety of applications including catalysis, nanoelectronics, biosensors, and biomedicine. Size, shape, and surface features dictate the functionality while the underlying mechanisms of interactions at the interface of biomolecules and nanoscale metal substrates are not yet fully understood.
520 $a Here, we carried out extensive parallel molecular dynamics simulations to explain how soft epitaxy determines facet specificity of several mutant peptides (S7: SSFPQPN as base sequence) on various facets of Pt crystals. Binding differentials between facets strongly depend on the presence of phenyl rings, including "lie-flat" attractive configurations on the {111} surface that match the hexagonal pattern of epitaxial sites and repulsive "stand-up" configurations on the {100} surface.
520 $a We uncovered the molecular mechanism of specific recognition of Pt nanocubes and the evolution of cubic shapes from cuboctahedral seed crystals by combinatorially selected T7 peptide (TLTTLTN). Accordingly, T7 molecules are attracted to the edges of nanocubes due to multiple times higher mobility of water molecules compared to center portions of the cube, accompanied by a unique match of polarizable atoms in T7 to the square pattern of epitaxial sites. Synthesis, characterization, and atomistic simulations showed a preference of peptide T7 towards {100} facets over {111} facets at intermediate concentration, that explains a higher yield of cubes. Similar arguments explain control principles for the growth of twinned versus single crystals. The ratio of {111} and {100} facets differs 60/40 (for twinned crystals) versus 35/65 (for single crystals) and peptides with adequately balanced adsorption strength to these facets at different nucleation stages elucidates the mechanism of twin formation.
520 $a We systematically analyzed the ratio of {h k l} facets on Pd nanoparticles of different size, identified different atom types, and calculated the relative reaction rate of nanoparticles in carbon-carbon Stille coupling reactions using the Boltzmann-averaged abstraction energies of individual atoms, in excellent agreement with measured turnover frequencies in experiment. Additionally, we developed a protocol using molecular dynamics simulations in conjunction with atomic pair distribution function (PDF) analysis of high-energy X-ray diffraction (HE-XRD) patterns and reverse Monte Carlo (RMC) simulations to obtain accurate 3D atomic-scale structure of nanocatalysts. The functionality of nanoparticles in the model systems of carbon-carbon coupling and allyl alcohol hydrogenation reactions were examined computationally and experimentally, leading to accurate predictions of relative reaction rates.
520 $a The current research efforts provide specific guidance in the design of functional metal nanoparticles and introduces a new paradigm for the design of the next generation of catalytically active nanostructures with superior functionality.
590 $a School code: 0003.
650 4 $a Biochemistry. $3 518028
650 4 $a Molecular chemistry. $3 1071612
650 4 $a Condensed matter physics. $3 3173567
650 4 $a Nanotechnology. $3 526235
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690 $a 0431
690 $a 0611
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710 2 $a The University of Akron. $b Polymer Engineering. $3 2094129
773 0 $t Dissertation Abstracts International $g 76-11B(E).
790 $a 0003
791 $a Ph.D.
792 $a 2015
793 $a English
856 4 0 $u http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=3710358