Adsorption of diferrocenylacetylene on Au(111) studied by scanning tunneling microscopy

Quardokus, Rebecca C.; Wasio, Natalie A.; Forrest, Ryan P.; Lent, Craig S.; Corcelli, Steven A.; Christie, John A.; Henderson, Kenneth W.; Kandel, S. Alex

doi:10.1039/c3cp50225b

Cited by 33 publications

(24 citation statements)

References 71 publications

(85 reference statements)

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“…Similarly, clusters of seven or eight molecules consist of a central hexamer with "disordered" molecules attached to the exterior of the hexamer. The images have many features which are not clearly assigned, but a reasonable assumption would be that the disordered regions consist of solvent from the pulse deposition, 29,30 as well as molecules with orientations in which the molecular axis is tilted away from the surface normal. 25,31 In order to characterize the internal structure of the hexamers, the position of each molecule within the hexamer relative to the cluster centroid was recorded for each clearly and completely resolved hexamer in the images.…”

Section: Resultsmentioning

confidence: 99%

Hydrogen-bonded clusters of 1, 1′-ferrocenedicarboxylic acid on Au(111) are initially formed in solution

Quardokus

Wasio

Brown

et al. 2015

The Journal of Chemical Physics

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Low-temperature scanning tunneling microscopy is used to observe self-assembled structures of ferrocenedicarboxylic acid (Fc(COOH)2) on the Au(111) surface. The surface is prepared by pulse-deposition of Fc(COOH)2 dissolved in methanol, and the solvent is evaporated before imaging. While the rows of hydrogen-bonded dimers that are common for carboxylic acid species are observed, the majority of adsorbed Fc(COOH)2 is instead found in six-molecule clusters with a well-defined and chiral geometry. The coverage and distribution of these clusters are consistent with a random sequential adsorption model, showing that solution-phase species are determinative of adsorbate distribution for this system under these reaction conditions.

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Section: Resultsmentioning

confidence: 99%

Hydrogen-bonded clusters of 1, 1′-ferrocenedicarboxylic acid on Au(111) are initially formed in solution

Quardokus

Wasio

Brown

et al. 2015

The Journal of Chemical Physics

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“…Diferrocenyl acetylene [DFA, see Fig. 3(a)] is a mixed-valence species considered as a QCA candidate [30]; and, zwitterionic nido-carborane [see Fig. 3(b)] has been designed and synthesized as a self-doping QCA candidate molecule [31].…”

Section: Overview Of Qcamentioning

confidence: 99%

Electric-Field Inputs for Molecular Quantum-Dot Cellular Automata Circuits

Blair

2019

IEEE Trans. Nanotechnology

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Quantum-dot cellular automata (QCA) is a lowpower, non-von-Neumann, general-purpose paradigm for classical computing using transistor-free logic. An elementary QCA device called a "cell" is made from a system of coupled quantum dots with a few mobile charges. The cell's charge configuration encodes a bit, and quantum charge tunneling within a cell enables device switching. Arrays of cells networked locally via the electrostatic field form QCA circuits, which mix logic, memory and interconnect. A molecular QCA implementation promises ultra-high device densities, high switching speeds, and roomtemperature operation. We propose a novel approach to the technical challenge of transducing bits from larger conventional devices to nanoscale QCA molecules. This signal transduction begins with lithographically-formed electrodes placed on the device plane. A voltage applied across these electrodes establishes an in-plane electric field, which selects a bit packet on a large QCA input circuit. A typical QCA binary wire may be used to transmit a smaller bit packet of a size more suitable for processing from this input to other QCA circuitry. In contrast to previous concepts for bit inputs to molecular QCA, this approach requires neither special QCA cells with fixed states nor nanoelectrodes which establish fields with single-electron specificity. A brief overview of the QCA paradigm is given. Proof-of-principle simulation results are shown, demonstrating the input concept in circuits made from two-dot QCA cells. Importantly, this concept for bit inputs to molecular QCA may enable solutions to or provide insights into other challenges to the realization of molecular QCA, such as the demonstration of molecular device switching, the read-out of molecular QCA states, and the layout of molecular QCA circuits.

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“…28,223,224,[226][227][228][229] We note in passing the importance of bridged oligoferrocene complexes. 52,[230][231][232][233] Comparable to the purely organic MV systems covered in Section 4, the entire range from weakly coupled class I or II to strongly coupled class III systems is accessible for these organometallic examples by chemical modification and by changing the solvent environment. For example, change of either the metal centres, in the case of the diynediyl-bridged 28,30,[47][48][49][50]57,224,[234][235][236][237][238][239][240][241] and diethynyl-benzene-bridged complexes, 28,242,243 and/or modification of the diethynylaromatic bridging ligand (e.g.…”

Section: Polyynediyl-bridged Organometallic Complexesmentioning

confidence: 99%

Quantum-chemical insights into mixed-valence systems: within and beyond the Robin–Day scheme

2014

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In mixed-valence (MV) systems essentially identical, more or less electronically coupled, redox centres are brought into formally different oxidation states by removal or addition of an electron. Depending on the strength of electronic coupling, an electron or a hole is either concentrated on one of the redox centres, or it is symmetrically delocalised onto several sites, or the situation is somewhere in between, which leads to the classification system for MV systems introduced by Melvin Robin and Peter Day. These different characteristics are of fundamental importance for the understanding of electron transfer processes. Applications of quantum-chemical methods to aid the classification and to unravel the nature of the electronic structure and spectroscopic data of both organic and transition-metal MV systems, have gained tremendous importance over the last two decades. In this review, we emphasise the prerequisites the quantum-chemical methods need to fulfill to successfully describe MV systems close to the borderline between Robin-Day classes II and III. These are, in particular, a balanced treatment of exchange, dynamical and non-dynamical correlation effects, as well as consideration of the crucial influence of the (solvent or solid-state) environment on the partial localisation of charge. A large variety of applications of quantum-chemical methods to both organic and inorganic MV systems are critically appraised here in view of these prerequisites. Practical protocols based on a combination of suitable density functional methods with continuum or non-continuum solvent models provided good agreement with experimental data for the ground states and the electronic excitations of a large range of MV systems close to the borderline. Recent applications of such methods have highlighted the crucial importance of conformational effects on electronic coupling, all the way to systems where conformational motion may cause a thermal mixing of class II and class III situations in one system.

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Adsorption of diferrocenylacetylene on Au(111) studied by scanning tunneling microscopy

Cited by 33 publications

References 71 publications

Hydrogen-bonded clusters of 1, 1′-ferrocenedicarboxylic acid on Au(111) are initially formed in solution

Hydrogen-bonded clusters of 1, 1′-ferrocenedicarboxylic acid on Au(111) are initially formed in solution

Electric-Field Inputs for Molecular Quantum-Dot Cellular Automata Circuits

Quantum-chemical insights into mixed-valence systems: within and beyond the Robin–Day scheme

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