Self-Assembly and Nanostructured Materials

Whitesides, George M.; Kriebel, Jennah K.; Mayers, Brian

doi:10.1007/0-387-25656-3_9

Cited by 78 publications

(79 citation statements)

References 168 publications

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“…SAMs are organic assemblies formed by the adsorption of molecular constituents from solution or the gas phase onto the surface of solids or in regular arrays on the surface of liquids [35]. The molecules that form SAMs have a chemical functionality, or "headgroup", with a specific affinity for a substrate.…”

Section: Formation Of Samsmentioning

confidence: 99%

OMCVD Gold Nanoparticles Covalently Attached to Polystyrene for Biosensing Applications

Kandeepan

Paquette

Gilroy

et al. 2015

Chemical Vapor Deposition

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Section: Formation Of Samsmentioning

confidence: 99%

OMCVD Gold Nanoparticles Covalently Attached to Polystyrene for Biosensing Applications

Kandeepan

Paquette

Gilroy

et al. 2015

Chemical Vapor Deposition

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“…The change in Introduction properties occurs because the dimensions of the material become comparable with the critical length scales of certain physical phenomena, e.g., the mean free path of the electrons or phonons. On such a length scale, phenomena that are classically explained mix with those that follow the rules of quantum mechanics, giving rise to new material properties [5,7,8].…”

Section: Nanostructured Materialsmentioning

confidence: 99%

Nanostructured carbon-based thin films : prediction and design

Goyenola¹

2015

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Carbon-based thin films are a vast group of materials of great technological importance. Thanks to the different bonding options for carbon, a large variety of structures (from amorphous to nanostructured) can be achieved in the process of film synthesis. The structural diversity increases even more if carbon is combined with relatively small quantities of atoms of other elements. This results in a set of materials with many different interesting properties for a wide range of technological applications.This doctoral thesis is about nanostructured carbon-based thin films. In particular, the focus is set on theoretical modeling, prediction of structural features and design of sulfocarbide (CS x ) and carbon fluoride (CF x ) thin films.The theoretical approach follows the synthetic growth concept (SGC) which is based on the density functional theory. The SGC departure point is the fact that the nanostructured films of interest can be modeled as assemblies of low dimensional units (e.g., finite graphene-like model systems), similarly to modeling graphite as stacks of graphene sheets. Moreover, the SGC includes a description of the groups of atoms that act as building blocks (i.e., precursor species) during film deposition, as well as their interaction with the growing film.This thesis consists of two main parts: Prediction: In this work, I show that nanostructured CS x thin films can be expected for sulfur contents up to 20 atomic % with structural characteristics that go from graphite-like to fullerene-like (FL). In the case of CF x thin films, I found that a diversity of structures can be formed depending on the fluorine concentration. Short-range ordered structures, such as FL structure, can be expected for low concentrations (up to 5 atomic %). For increasing fluorine concentration, diamond-like and polymeric structures should predominate. As a special case, I also studied the ternary system CS x F y . The calculations show that CS x F y thin films with nanostructured features should be possible to synthesize at low sulfur and fluorine ([S + F] < 10 at.%) concentrations and the structural characteristics can be described and explained in terms of the binaries CS x and CF x .Design: The carbon-based thin films predicted in this thesis were synthesized by reactive magnetron sputtering. My modeling results regarding structure, composition, and analysis of precursor species (availability and role during deposition process) were successfully combined with the experimental techniques in the quest for thin films with desired structural features. They were used as guidance for the depositions and to understand the properties of the resulting thin films. v vi Populärvetenskaplig sammanfattningMaterialvetenskapär ett stort tvärvetenskapligt forskningsfält som handlar om att upptäcka och konstruera nya material såväl som att förbättra befintliga. Allting vi använder i vårt dagliga liv, från kläder till tekniska apparater,är skapat för att tillgodose vissa krav ochär ett resultat av att många människor har invester...

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“…To be categorized as "nano", a given structure should not exceed a length of 100 nm along at least one direction. 24,25 Molecules are probably the most well known representatives of such a class, which also comprises structures such as crystal fragments, nanoclusters, aggregates and even artificially created nanometric templates, a among others. The low dimensionality of such nanostructures provides an open door for the observation of many interesting -and often unusual -properties that emerge in the length scale between that of individual atoms and macroscopic matter.…”

Section: Overviewmentioning

confidence: 99%

“…While the form of the exchange term is known exactly, 24) there is no analytical expression for ε c (n), except for the high and low density limits. …”

Section: Density Functional Theorymentioning

confidence: 99%

“…33 The high interest in SAMs comes from the fact that they offer a promising route towards the engineering of NSMs in large scale and with low cost. 24,33 The use of SAMs might thus be a viable alternative to direct methods for the positioning of the molecular building blocks -such as the use of STM probe tips, 34,35 for instance, because direct approaches frequently involve procedures that are too complicated or too inefficient to be used for industrial production. 35 The two strategies, however, can also be combined, e.g.…”

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confidence: 99%

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Electronic properties of complex interfaces and nanostructures

Medeiros

2015

Linköping Studies in Science and Technology. Dissertations

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To my grandmother, minha veinha. AbstractThis thesis investigates the structural and electronic properties of graphene, polyaromatic hydrocarbon (PAH) molecules, and other carbon-based materials, when interacting with metallic surfaces, as well as under the influence of different types of perturbations. Density functional theory, incorporating van der Waals interactions, has been employed.PAH molecules can, with gradual accuracy, be considered as approximations to an infinite graphene layer. A method to estimate the contributions to the binding energies and net charge transfers from different types of carbon atoms and CH groups in graphene-and PAH-metal systems has been generalized. In this extended method, the number and the nature of the functional groups is determined using a first-principles approach, rather than intuitively or through empirical considerations. Relationships between charge transfers, interface dipole moments and work functions in such systems are explored.Although the electronic structure of physisorbed graphene keeps most of the features of freestanding graphene, the use of large supercells in calculations makes it difficult to resolve the changes introduced in the band structures of such materials. In this thesis, this was the initial motivation for the development of a method to perform the Brillouin zone unfolding of band structures. This method, as initially developed, is shown to be of general use for any periodic structure, and is even further generalized -through the introduction of the unfolding density operator -to tackle the unfolding of the eigenvalues of any arbitrary operator, with both scalar as well as spinor eigenstates.A combined experimental and theoretical investigation of the self-assembly of a binary mixture of 4,9-diaminoperylene-quinone-3,10-diimine (DPDI) and 3,4,9,10-perylene-tetracarboxylic acid dianhydride (PTCDA) molecules on Ag(111) is presented. The DFT calculations performed here allow for the investigation of the interplay between molecule-molecule and molecule-surface interactions in the network.Besides the main results mentioned above, this thesis also incorporates a study of silicon-metal nanostructures, as well as an investigation of the use of hybrid v vi graphene-graphane structures as prototypes for atomically precise design in nanoelectronics. Populärvetenskaplig sammanfattningI denna avhandling undersöks strukturella och elektroniska egenskaper hos grafen, polycykliska aromatiska kolväten (PAH) och andra kolbaserade material, i situationer då dessa växelverkar med metallytor eller utsätts för olika slags störningar. Undersökningarna är baserade på s.k. täthetsfunktionalteori (DFT) och tar hänsyn till van der Waals-interaktioner.Polycykliska aromatiska kolväten kan, med gradvis noggrannhet, anses representera grafen med oändlig utsträckning. I avhandlingen har en metod för att uppskatta bidragen till bindningsenergier och laddningsöverföringar från olika kolatomer hos grafen-och PAH-metallsystem generaliserats på ett sådant sätt att antalet och karakt...

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Self-Assembly and Nanostructured Materials

Cited by 78 publications

References 168 publications

OMCVD Gold Nanoparticles Covalently Attached to Polystyrene for Biosensing Applications

OMCVD Gold Nanoparticles Covalently Attached to Polystyrene for Biosensing Applications

Nanostructured carbon-based thin films : prediction and design

Electronic properties of complex interfaces and nanostructures

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