Theoretical Investigations of Molecular Self-assembly on Symmetric Surfaces
Theoretical Investigations of Molecular Self-assembly on Symmetric Surfaces

Author: Emilian Tuca

Publisher:

Published: 2019

Total Pages:

ISBN-13:

DOWNLOAD EBOOK

Surface self-assembly, the spontaneous aggregation of molecules into ordered, sta- ble, noncovalently joined structures in the presence of a surface, is of great importance to the bottom-up manufacturing of materials with desired functionality. As a bulk phenomenon informed by molecular-level interactions, surface self-assembly involves coupled processes spanning multiple length scales. Consequently, a computational ap- proach towards investigating surface self-assembled systems requires a combination of quantum-level electronic structure calculations and large-scale multi-body classical simulations. In this work we use a range of simulation approaches from quantum-based methods, to classical atomistic calculations, to mean-field approximations of bulk mixed phases, and explore the self-assembly strategies of simple dipoles and polyaromatic hydrocarbons on symmetric surfaces.

Self-Assembly of Flat Organic Molecules on Metal Surfaces
Self-Assembly of Flat Organic Molecules on Metal Surfaces

Author: Manuela Mura

Publisher: Springer Science & Business Media

Published: 2012-06-30

Total Pages: 181

ISBN-13: 3642303250

DOWNLOAD EBOOK

Manuela Mura's thesis is devoted to ab initio studies of self-assembled organic molecules on a gold surface. This area of research is particularly vibrant because of the various applications such studies have in nanoscience and surface chemistry and physics. In this thesis Manuela Mura uses theory to suggest atomistic models for the observed assembled and she proposes an assembly mechanism. The methods and results developed as part of this work will be of wide interest to physicists and chemists working on the assemblies of organic molecules on crystal surfaces.

Materials Nanoarchitectonics
Materials Nanoarchitectonics

Author: Katsuhiko Ariga

Publisher: Elsevier

Published: 2023-12-15

Total Pages: 648

ISBN-13: 0323994733

DOWNLOAD EBOOK

Materials Nanoarchitectonics: From Integrated Molecular Systems to Advanced Devices provides the latest information on the design and molecular manipulation of self-organized hierarchically structured systems using tailor-made nanoscale materials as structural and functional units. The book is organized into three main sections that focus on molecular design of building blocks and hybrid materials, formation of nanostructures, and applications and devices. Bringing together emerging materials, synthetic aspects, nanostructure strategies, and applications, the book aims to support further progress, by offering different perspectives and a strong interdisciplinary approach to this rapidly growing area of innovation. This is an extremely valuable resource for researchers, advanced students, and scientists in industry, with an interest in nanoarchitectonics, nanostructures, and nanomaterials, or across the areas of nanotechnology, chemistry, surface science, polymer science, electrical engineering, physics, chemical engineering, and materials science. Offers a nanoarchitectonic perspective on emerging fields, such as metal-organic frameworks, porous polymer materials, or biomimetic nanostructures Discusses different approaches to utilizing "soft chemistry" as a source for hierarchically organized materials Offers an interdisciplinary approach to the design and construction of integrated chemical nano systems Discusses novel approaches towards the creation of complex multiscale architectures

Protein Self-Assembly
Protein Self-Assembly

Author: Jennifer J. McManus

Publisher: Humana

Published: 2020-08-08

Total Pages: 266

ISBN-13: 9781493996803

DOWNLOAD EBOOK

This volume explores experimental and computational approaches to measuring the most widely studied protein assemblies, including condensed liquid phases, aggregates, and crystals. The chapters in this book are organized into three parts: Part One looks at the techniques used to measure protein-protein interactions and equilibrium protein phases in dilute and concentrated protein solutions; Part Two describes methods to measure kinetics of aggregation and to characterize the assembled state; and Part Three details several different computational approaches that are currently used to help researchers understand protein self-assembly. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls. Thorough and cutting-edge, Protein Self-Assembly: Methods and Protocols is a valuable resource for researchers who are interested in learning more about this developing field.

Mesoscale Chemistry
Mesoscale Chemistry

Author: National Research Council

Publisher: National Academies Press

Published: 2015-08-06

Total Pages: 229

ISBN-13: 030937331X

DOWNLOAD EBOOK

In the last few decades great strides have been made in chemistry at the nanoscale, where the atomic granularity of matter and the exact positions of individual atoms are key determinants of structure and dynamics. Less attention, however, has been paid to the mesoscale-it is at this scale, in the range extending from large molecules (10 nm) through viruses to eukaryotic cells (10 microns), where interesting ensemble effects and the functionality that is critical to macroscopic phenomenon begins to manifest itself and cannot be described by laws on the scale of atoms and molecules alone. To further explore how knowledge about mesoscale phenomena can impact chemical research and development activities and vice versa, the Chemical Sciences Roundtable of the National Research Council convened a workshop on mesoscale chemistry in November 2014. With a focus on the research on chemical phenomena at the mesoscale, participants examined the opportunities that utilizing those behaviors can have for developing new catalysts, adding new functionality to materials, and increasing our understanding of biological and interfacial systems. The workshop also highlighted some of the challenges for analysis and description of mesoscale structures. This report summarizes the presentations and discussion of the workshop.

Computational Studies of Molecular Self-assembly at Surfaces
Computational Studies of Molecular Self-assembly at Surfaces

Author: Simone Conti

Publisher:

Published: 2016

Total Pages: 0

ISBN-13:

DOWNLOAD EBOOK

Molecular self-assembly at surfaces is a prominent example of self-organization of matter with outstanding technological applications. The ability to predict the structure of the self-assembled monolayer (SAM) formed at equilibrium is of great fundamental and technological importance. In this dissertation I present a self-consistent theory for a first-principle interpretation of 2D self-assembly based on modeling and statistical thermodynamics. The developed framework provides access to the thermodynamic stability of the SAM and to its concentration dependence. This allows to study competitive equilibria at surfaces and to rationalize the 2D polymorphism evidenced by scanning probe techniques. The theory predicts the existence of a critical concentration of monomers, which is used to set an absolute scale for the 2D self-assembly propensity. Last, four technological applications are discussed, showing the potentials of the developed framework.

Scientific and Technical Aerospace Reports
Scientific and Technical Aerospace Reports

Author:

Publisher:

Published: 1995

Total Pages: 602

ISBN-13:

DOWNLOAD EBOOK

Lists citations with abstracts for aerospace related reports obtained from world wide sources and announces documents that have recently been entered into the NASA Scientific and Technical Information Database.

Chirality in Supramolecular Assemblies
Chirality in Supramolecular Assemblies

Author: F. Richard Keene

Publisher: John Wiley & Sons

Published: 2016-11-14

Total Pages: 429

ISBN-13: 1118867343

DOWNLOAD EBOOK

Supramolecular chemistry deals with the organisation of molecules into defined assemblies using non-covalent interactions, including weaker and reversible interactions such as hydrogen bonds, and metal-ligand interactions. The aspect of stereochemistry within such chemical architectures, and in particular chirality, is of special interest as it impacts on considerations of molecular recognition, the development of functional materials, the vexed question of homochirality, nanoscale effects of interactions at interfaces, biocatalysis and enzymatic catalysis, and applications in organic synthesis. Chirality in Supramolecular Assemblies addresses many of these aspects, presenting a broad overview of this important and rapidly developing interdisciplinary field. Topics covered include: Origins of molecular and topological chirality Homochirogenesis Chirality in crystallinity Host-guest behavior Chiral influences in functional materials Chirality in network solids and coordination solids Aspects of chirality at interfaces Chirality in organic assemblies Chirality related to biocatalysis and enzymes in organic synthesis. This book is a valuable reference for researchers in the molecular sciences, materials science and biological science working with chiral supramolecular systems. It provides summaries and special insights by acknowledged international experts in the various fields.

Comprehensive Supramolecular Chemistry II
Comprehensive Supramolecular Chemistry II

Author: George W. Gokel

Publisher: Elsevier

Published: 2017-06-22

Total Pages: 4627

ISBN-13: 0128031999

DOWNLOAD EBOOK

Comprehensive Supramolecular Chemistry II, Second Edition, Nine Volume Set is a ‘one-stop shop’ that covers supramolecular chemistry, a field that originated from the work of researchers in organic, inorganic and physical chemistry, with some biological influence. The original edition was structured to reflect, in part, the origin of the field. However, in the past two decades, the field has changed a great deal as reflected in this new work that covers the general principles of supramolecular chemistry and molecular recognition, experimental and computational methods in supramolecular chemistry, supramolecular receptors, dynamic supramolecular chemistry, supramolecular engineering, crystallographic (engineered) assemblies, sensors, imaging agents, devices and the latest in nanotechnology. Each section begins with an introduction by an expert in the field, who offers an initial perspective on the development of the field. Each article begins with outlining basic concepts before moving on to more advanced material. Contains content that begins with the basics before moving on to more complex concepts, making it suitable for advanced undergraduates as well as academic researchers Focuses on application of the theory in practice, with particular focus on areas that have gained increasing importance in the 21st century, including nanomedicine, nanotechnology and medicinal chemistry Fully rewritten to make a completely up-to-date reference work that covers all the major advances that have taken place since the First Edition published in 1996