Multiscale modeling of the surfactant mediated synthesis and supramolecular assembly of cobalt nanodots

Multiscale simulations are used to bridge the surfactant templated assembly of individual approximately 1-10 nm cobalt dots, to their ordering into supramolecular arrays. Potential energy surfaces derived from ab initio calculations are input to lattice Monte Carlo simulations at atomic scales. By t...

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Veröffentlicht in:	Physical review letters 2004-10, Vol.93 (18), p.188301.1-188301.4, Article 188301
Hauptverfasser:	ADHIKARI, Narayan P, XIHONG PENG, ALIZADEH, Azar, GANTI, Surya, NAYAK, Saroj K, KUMAR, Sanat K
Format:	Artikel
Sprache:	eng
Schlagworte:	Cross-disciplinary physics: materials science rheology Exact sciences and technology Materials science Methods of nanofabrication Physics
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container_end_page	188301.4
container_issue	18
container_start_page	188301.1
container_title	Physical review letters
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creator	ADHIKARI, Narayan P XIHONG PENG ALIZADEH, Azar GANTI, Surya NAYAK, Saroj K KUMAR, Sanat K
description	Multiscale simulations are used to bridge the surfactant templated assembly of individual approximately 1-10 nm cobalt dots, to their ordering into supramolecular arrays. Potential energy surfaces derived from ab initio calculations are input to lattice Monte Carlo simulations at atomic scales. By this process we quantitatively reproduce the experimental cobalt nanoparticle sizes. Crucially, we find that there is an effective short range attraction between pairs of nanodots. Mesoscale simulations show that these attractive interdot potentials are so short ranged that the dots can assemble only into orientally ordered hexatic phases as in the experiments.
doi_str_mv	10.1103/PhysRevLett.93.188301
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subjects	Cross-disciplinary physics: materials science rheology Exact sciences and technology Materials science Methods of nanofabrication Physics
title	Multiscale modeling of the surfactant mediated synthesis and supramolecular assembly of cobalt nanodots
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