Site-Specific Wetting of Iron Nanocubes by Gold Atoms in Gas-Phase Synthesis

Jerome Vernieres, Stephan Steinhauer, Junlei Zhao, Panagiotis Grammatikopoulos, Riccardo Ferrando, Kai Nordlund, Flyura Djurabekova, Mukhles Sowwan

Research output: Contribution to journalArticleScientificpeer-review

Abstract

Abstract A key challenge in nanotechnology is the rational design of multicomponent materials that beat the properties of their elemental counterparts. At the same time, when considering the material composition of such hybrid nanostructures and the fabrication process to obtain them, one should favor the use of nontoxic, abundant elements in view of the limited availability of critical metals and sustainability. Cluster beam deposition offers a solvent- and, therefore, effluent-free physical synthesis method to achieve nanomaterials with tailored characteristics. However, the simultaneous control of size, shape, and elemental distribution within a single nanoparticle in a small-size regime (sub-10 nm) is still a major challenge, equally limiting physical and chemical approaches. Here, a single-step nanoparticle fabrication method based on magnetron-sputtering inert-gas condensation is reported, which relies on selective wetting of specific surface sites on precondensed iron nanocubes by gold atoms. Using a newly developed Fe?Au interatomic potential, the growth mechanism is decomposed into a multistage model implemented in a molecular dynamics simulation framework. The importance of growth kinetics is emphasized through differences between structures obtained either experimentally or computationally, and thermodynamically favorable configurations determined via global optimization techniques. These results provide a roadmap for engineering complex nanoalloys toward targeted applications.
Original languageEnglish
JournalAdvanced Science
ISSN2198-3844
DOIs
Publication statusPublished - 2 May 2019
MoE publication typeA1 Journal article-refereed

Fields of Science

  • Fe–Au nanoparticles
  • growth kinetics
  • inert gas condensation
  • metastability
  • wetting
  • 114 Physical sciences

Cite this

Vernieres, Jerome ; Steinhauer, Stephan ; Zhao, Junlei ; Grammatikopoulos, Panagiotis ; Ferrando, Riccardo ; Nordlund, Kai ; Djurabekova, Flyura ; Sowwan, Mukhles. / Site-Specific Wetting of Iron Nanocubes by Gold Atoms in Gas-Phase Synthesis. In: Advanced Science. 2019.
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Site-Specific Wetting of Iron Nanocubes by Gold Atoms in Gas-Phase Synthesis. / Vernieres, Jerome; Steinhauer, Stephan; Zhao, Junlei; Grammatikopoulos, Panagiotis; Ferrando, Riccardo; Nordlund, Kai; Djurabekova, Flyura; Sowwan, Mukhles.

In: Advanced Science, 02.05.2019.

Research output: Contribution to journalArticleScientificpeer-review

TY - JOUR

T1 - Site-Specific Wetting of Iron Nanocubes by Gold Atoms in Gas-Phase Synthesis

AU - Vernieres, Jerome

AU - Steinhauer, Stephan

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AU - Grammatikopoulos, Panagiotis

AU - Ferrando, Riccardo

AU - Nordlund, Kai

AU - Djurabekova, Flyura

AU - Sowwan, Mukhles

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N2 - Abstract A key challenge in nanotechnology is the rational design of multicomponent materials that beat the properties of their elemental counterparts. At the same time, when considering the material composition of such hybrid nanostructures and the fabrication process to obtain them, one should favor the use of nontoxic, abundant elements in view of the limited availability of critical metals and sustainability. Cluster beam deposition offers a solvent- and, therefore, effluent-free physical synthesis method to achieve nanomaterials with tailored characteristics. However, the simultaneous control of size, shape, and elemental distribution within a single nanoparticle in a small-size regime (sub-10 nm) is still a major challenge, equally limiting physical and chemical approaches. Here, a single-step nanoparticle fabrication method based on magnetron-sputtering inert-gas condensation is reported, which relies on selective wetting of specific surface sites on precondensed iron nanocubes by gold atoms. Using a newly developed Fe?Au interatomic potential, the growth mechanism is decomposed into a multistage model implemented in a molecular dynamics simulation framework. The importance of growth kinetics is emphasized through differences between structures obtained either experimentally or computationally, and thermodynamically favorable configurations determined via global optimization techniques. These results provide a roadmap for engineering complex nanoalloys toward targeted applications.

AB - Abstract A key challenge in nanotechnology is the rational design of multicomponent materials that beat the properties of their elemental counterparts. At the same time, when considering the material composition of such hybrid nanostructures and the fabrication process to obtain them, one should favor the use of nontoxic, abundant elements in view of the limited availability of critical metals and sustainability. Cluster beam deposition offers a solvent- and, therefore, effluent-free physical synthesis method to achieve nanomaterials with tailored characteristics. However, the simultaneous control of size, shape, and elemental distribution within a single nanoparticle in a small-size regime (sub-10 nm) is still a major challenge, equally limiting physical and chemical approaches. Here, a single-step nanoparticle fabrication method based on magnetron-sputtering inert-gas condensation is reported, which relies on selective wetting of specific surface sites on precondensed iron nanocubes by gold atoms. Using a newly developed Fe?Au interatomic potential, the growth mechanism is decomposed into a multistage model implemented in a molecular dynamics simulation framework. The importance of growth kinetics is emphasized through differences between structures obtained either experimentally or computationally, and thermodynamically favorable configurations determined via global optimization techniques. These results provide a roadmap for engineering complex nanoalloys toward targeted applications.

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