Step-by-step rotation of a molecule-gear mounted on an atomic-scale axis

Manzano, Carlos; Soe, We‐Hyo; Wong, Hon Seng; Ample, Francisco; Gourdon, André; Chandrasekhar, N.; Joachim, Christian

doi:10.1038/nmat2467

Cited by 121 publications

(139 citation statements)

References 14 publications

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“…Since molecular NEMs and nanomechanical devices have shown potential applications in future technologies [2][3][4], the rotational and translational dynamics of these nanoflakes, in particular graphene flakes ("nano" will be omitted in the rest of the text) and molecules have been brought into focus [2,[5][6][7][8][9]. Like an atom switch [10], these single molecules have been shown to execute controlled rotation or translation through the electrical bias exerted by the tip of a scanning tunneling microscope [3,4,11,12]. Additionally, the configurations of the molecules, as well as their dynamics on the monolayer structures, have been imaged clearly by STM [13][14][15][16].…”

Section: Introductionmentioning

confidence: 99%

Tunable dynamics of a flake on graphene: Libration frequency

Aktürk

Gürel

et al. 2017

Phys. Rev. B

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In this paper we investigated the interaction between a graphene nanoflake anchored to the 2D graphene monolayer. This interaction is attractive but weak and is capable of setting a well defined registry in equilibrium. Rotational and linear displacements from equilibrium registry generate restoring forces, which can be controlled by external agents. Similar flakes can be self-assembled and can also execute simple harmonic motion as if a physical pendulum. Oscillation of a nanoflake about their equilibrium registries resulting in a characteristic libration frequency is predicted. This frequency depends on the size and geometry of the flake. Moreover, the libration frequency, as well as the electronic and magnetic properties of the flake+monolayer systems, can be tuned by a foreign molecule anchored to the flake, by electric charging and applied parallel and perpendicular electric and magnetic fields. When the sliding of the flake is combined with rotation, the friction force can be reduced dramatically. It is surprising that weak interaction can offer such features at nanoscale, which may offer potential applications. Our predictions are obtained by first-principles calculations based on density functional theory.

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Section: Introductionmentioning

confidence: 99%

Tunable dynamics of a flake on graphene: Libration frequency

Aktürk

Gürel

et al. 2017

Phys. Rev. B

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“…A drawback in MD modelling is the dependence on FF validation, which limits its use to well-known systems. Because of this inherent restriction, a common strategy in singlemolecule experiments has become to calculate zero-temperature potential energy surfaces through ab initio methods and assume their relevance for finite-temperature experiments [25][26][27][28] .…”

mentioning

confidence: 99%

Visualization and thermodynamic encoding of single-molecule partition function projections

et al. 2015

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Ensemble averaging of molecular states is fundamental for the experimental determination of thermodynamic quantities. A special case occurs for single-molecule investigations under equilibrium conditions, for which free energy, entropy and enthalpy at finite temperatures are challenging to determine with ensemble averaging alone. Here we report a method to directly record time-averaged equilibrium probability distributions by confining an individual molecule to a nanoscopic pore of a two-dimensional metal-organic nanomesh, using temperaturecontrolled scanning tunnelling microscopy. We associate these distributions with partition function projections to assess real-space-projected thermodynamic quantities, aided by computational modelling. The presented molecular dynamics-based analysis is able to reproduce experimentally observed projected microstates with high accuracy. By an in silico customized energy landscape, we demonstrate that distinct probability distributions can be encrypted at different temperatures. Such modulation provides means to encode and decode information into position-temperature space.

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“…This determines a landscape of a large number of potential energy (1 1 1) surface with an atomic corrugation of about 6 pm. For a molecule and at low temperature, the reconstruction wall is an efficient slider and the molecule can bounce on it but can also be trapped [18]. The Z 1-Z2-Z3 path is the trajectory followed by the windmill molecule of the Dresden team when driving in a zig zag manner along a straight fcc race track in a way to avoid the immobilization of the windmill on the central reconstruction wall.…”

Section: -P3mentioning

confidence: 99%

Training for the 1st international nano-car race: the Dresden molecule-vehicle

Eisenhut

Durand

Moresco

et al. 2016

Eur. Phys. J. Appl. Phys.

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Abstract. The first international nano-car race will be held in Toulouse, France in spring 2017, with the participation of six international teams. The training session of the Dresden Team is reported using the Toulouse LT-UHV 4-STM reconfigured with four independent controllers in preparation for the race. During the training, the total Au(1 1 1) surface was prepared over the full gold substrate and a 90 nm long race track with two turns was defined according to the new nano-car race rules. The Dresden windmill molecule-vehicle was deposited in ultrahigh vacuum conditions, imaged, and manipulated by any one of the four tips on race tracks to reach a 5 nm per hour driving speed including the STM image time after a given driving bias voltage pulse. During the manipulation with one of the tips, it was possible to image with another tip in parallel. Strategies for a safe and fast driving was established by the Dresden team along the fcc rafter of the Au(1 1 1) surface together with the possibility to repair on the spot the destroyed molecule for example during the negotiation of a turn. Other teams will beneficiate from this experience to also improve their driving strategy.

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Step-by-step rotation of a molecule-gear mounted on an atomic-scale axis

Cited by 121 publications

References 14 publications

Tunable dynamics of a flake on graphene: Libration frequency

Tunable dynamics of a flake on graphene: Libration frequency

Visualization and thermodynamic encoding of single-molecule partition function projections

Training for the 1st international nano-car race: the Dresden molecule-vehicle

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