Faraday Discussions – serie

The role of particles in many complex environments is poorly understood and quantified and there is a considerable gap between the complexity of particles characterised in the atmosphere and those studied in controlled laboratory measurements. This book focuses on the spectroscopy and dynamics of microparticles, and considers the chemistry of microparticles in a range of environments. Discussions in the title review new and developing characterization techniques as well as techniques for examining the chemical dynamics of particles in controlled laboratory investigations. The focus is on micron sized particles and this book will be of exceptional interest for anyone working in this field. Faraday Discussions document a long-established series of Faraday Discussion meetings which provide a unique international forum for the exchange of views and newly acquired results in developing areas of physical chemistry, biophysical chemistry and chemical physics. The papers presented are published in the Faraday Discussion volume together with a record of the discussion contributions made at the meeting. Faraday Discussions therefore provide an important record of current international knowledge and views in the field concerned.

In this exciting new title all aspects of nanoalloys are explored, including synthesis, characterisation, theory and simulation, property measurements and technological applications. Nanoalloys are of great interest due to their unique structures and properties which are distinct from those of the pure elemental clusters. They are used in a wide range of applications and their chemical and physical properties can be tuned by varying composition, atomic ordering, or clusters. This book will be of interest to academics working at the interfaces between chemistry, materials, physics and nanoscience, and to those working in the nanotechnology, catalysis and optoelectronics areas of industry.

This unique discussion meeting will bring electrochemists, surface scientists and theoreticians together and foster the development of both in situ spectroscopic methods in electrochemistry and theoretical methods which model the electrocatalytic interface. This unique discussion meeting will bring electrochemists, surface scientists and theoreticians together and foster the development of both in situ spectroscopic methods in electrochemistry and theoretical methods which model the electrocatalytic interface. It will be opened with an introductory lecture by Marc Koper from Leiden University in the Netherlands. Discussion sessions: Structure in Electrocatalysis: from nanoparticles to single crystals Spectroscopy and Electrocatalysis Hydrogen oxidation and oxygen reduction Biological electrocatalysis and alcohols as fuels

This book discusses the contemporary techniques and the latest applications in the field of nucleation, growth, inhibition and dissolution of solids. It covers techniques, including diffraction, small angle scattering, probe microscopy, optical microscopy, crystallization techniques and both atomistic and meso-scale modelling methods; and applications, which consider inorganic materials, micro-porous and meso-porous materials, molecular crystals, biomaterials, minerals, semi-conductors and pharmaceuticals. It is a key point of reference for researchers working in related fields and offers a comprehensive guide to research and opinion in this area. Faraday Discussions document a long-established series of Faraday Discussion meetings which provide a unique international forum for the exchange of views and newly acquired results in developing areas of physical chemistry, biophysical chemistry and chemical physics. The papers presented are published in the Faraday Discussion volume together with a record of the discussion contributions made at the meeting. Faraday Discussions therefore provide an important record of current international knowledge and views in the field concerned.

This volume concentrates on the measurement, synthesis, assembly and manipulation of molecular wires and nanostructures. It incorporates the assembly and use of molecules into nanostructures (nanoparticles, quantum dots, catenanes, conducting oligomers, DNA) for electronic switching. Work is presented in the following areas: single molecule conductance; biomolecular conductors; electronic nanostructures; the theory of charge transport in molecular wires and nanostructures; conjugated electronic oligomers; nanogap devices. Faraday Discussions document a long-established series of Faraday Discussion meetings which provide a unique international forum for the exchange of views and newly acquired results in developing areas of physical chemistry, biophysical chemistry and chemical physics. The papers presented are published in the Faraday Discussion volume together with a record of the discussion contributions made at the meeting. Faraday Discussions therefore provide an important record of current international knowledge and views in the field concerned.

This new title discusses recent astronomical observations of molecules in various regions and eras of the Universe, and on describing the processes that determine the chemistry. These processes include gas phase neutral exchanges and ion-molecule reactions, surface reactions on dust grains, and the radiative processing of dirty ices. Coverage includes chemistry in the early Universe and in galaxies at high redshift, the role of chemistry in star-forming regions, circumstellar disks and planet formation and habitable zones, astrochemistry as the initiator of astrobiology, and the role of cometary chemistry. Faraday Discussions document a long-established series of Faraday Discussion meetings which provide a unique international forum for the exchange of views and newly acquired results in developing areas of physical chemistry, biophysical chemistry and chemical physics. The papers presented are published in the Faraday Discussion volume together with a record of the discussion contributions made at the meeting. Faraday Discussions therefore provide an important record of current international knowledge and views in the field concerned.

The development of renewable, low cost, high performance energy technologies is a key scientific challenge for the 21st century. Many of these energy applications involve numerous dynamic energy and mass transfer processes at the length scale of sub-nanometers to micrometers that require the collaborative participation of various functional material components. To create efficient, stable and reproducible energy systems, effective integration of material components from atomic, molecular, nano to meso-scale is crucial. However, the most challenging aspect is to integrate the required components together while optimising the performance of each component and even creating new synergetic effects. In the past decade, considerable research attention has been devoted to the fabrication of single-length scale / component materials for energy applications. This title will centre on discussing how individual functional components at different length scale can be effectively integrated into next-generation energy materials. Aimed at today’s experimentalists and theoreticians, chemists, physicists and materials scientists, this book will cross-boundaries and discuss energy-related information.

Carbon nanomaterials have a unique place in nanoscience owing to their exceptional electrical, thermal, chemical and mechanical properties and have found application in areas diverse as composite materials, energy storage and conversion, sensors, drug delivery, field emission devices and nanoscale electronic components. Conjugated carbon nanomaterials cover the areas of carbon nanotubes, fullerenes and graphene. Carbon nanotubes continue to gain attention and have impacted many fields and the number of potential applications continues to grow. The chemistry of carbon nanotubes, control over electronic properties and the assembly of nanotube devices are particularly active areas. Work in fullerenes has renewed vigour with significant advances in the field of superconductivity, thin films and supramolecular assembly being made over the last few years. Graphene is perhaps the newest of the carbon nanomaterials and promises to be a very active field. Already since its 'isolation' in 2004 it has grabbed the attention of the chemistry, materials and physics communities. It promises to rival carbon nanotubes in terms of properties and potential applications with the number of publications rising from ca. 130 in 2005 to ca. 2,800 in 2010. The discussion covers three key areas: carbon nanotubes, fullerenes and graphene which although look very different have much, often unrealised, common ground. Much of the work on carbon nanotubes has origins in fullerene research and now graphene is building on carbon nanotube work.

Organic semiconductors (OSCs), based on pi-conjugated molecules and macromolecules, are revolutionising the electronics industry. The most topical and potentially lucrative applications to date include organic light emitting diode (OLED) displays and lighting, organic photovoltaics (OPVs) and organic field effect transistors (OFETs). Applications for these technologies are varied and include sensing, medical diagnostics, artificial assemblies, computing and information and communication technologies. This discussion encompasses a range of topical subjects, centred on the theme of organic electronics and photonics, focussing on four specific topics: organic photovoltaics and energy, organic lasers, bioelectronics and sensors and molecular electronics, representing the most exciting developments in organic electronics research.

Understanding the mechanism of physical, chemical and biological change at the microscopic scale is critical for a broad range of science and technology. A common goal is to develop this understanding to the point where it becomes possible to tailor functionality through material design, or by the application of electric, magnetic or optical fields. Across a broad range of disciplines the scientific community is currently frustrated by its inability to dynamically image matter down to the atomic scale. We can at present only observe relatively slow motion changes to structure, or infer dynamical effects via indirect measurements. Yet many critically important processes evolve on the femtosecond timescale and at the molecular and sub-cellular level requiring nanometre and sub-nanometre scale spatial resolution. The properties of light from newly developing photon sources such as free electron lasers (FELs) are dramatically different from those of storage rings (in terms of spectral brightness), and from conventional lasers (in terms of wavelength range). In the course of the last few years FELs and other sources have emerged as exceptionally exciting tools for new science – for example, solution phase chemistry, enzyme and surface catalysis and DNA photo-induced radiation damage. In this volume the topics covered include: Chemical reaction dynamics; Electron dynamics in atoms, molecules and clusters; Correlated systems, surfaces and catalysis; Nanoscale and bio imaging

Recent advances in nanofabrication and subwavelength optical characterisation have led to significant new advances in plasmonics. In addition to traditional top-down nanofabrication techniques, chemical-based fabrication has emerged as an inexpensive and viable alternative with electrochemical and self-organisation methods for fabrication of plasmonic nanoparticles and extended plasmonic structures.This volume aims to highlight the most recent breakthroughs in this multidisciplinary field and hear from the different perspectives of physicists, chemists and biologists. It connects the various subdisciplines in the field and defines the most challenging problems for the future.This volume is focused on areas where progress is expected to have a most significant impact on a whole area of nanoplasmonics and on commercial exploitation.In this volume the topics covered include:Plasmonic nanoparticles and metamaterials with designed optical propertiesSurface plasmon enhanced spectroscopiesQuantum plasmonics, gain and spasersBiosensing and biomedical applications of plasmonics

The crystallisation phase transformation process and the resulting creation of crystalline materials from liquid phase precursors are central to the science and process engineering of materials in their broadest sense. Crystallisation involves two distinct stages: nucleation and growth. Due to the nano-scale size domain within which the nucleation process functions it is a much less understood process compared to the growth process. As a result, elucidating the fundamental physics and chemistry that govern the formation and structure of the nucleation supra-molecular transition state remains one of the truly unresolved 'grand challenges' of the physical sciences. Following the Nucleation - A Transition State to the Directed Assembly of Materials: Faraday Discussion (April 2015), this book brings together the growing body of theoretical and experimental work. It assesses recent progress in this field, highlights on-going challenges, and discusses future work still needed.

Over the last decade or so, there has been immense progress in the development of tools, both experimental and theoretical, for probing the solid/fluid interface at the nanoscale. These advances open the way towards mechanistic understanding, and potentially prediction, of chemical processes occurring at this interface. Amongst the fields beginning to benefit from such effort is corrosion science, which is primarily concerned with degradation of metallic materials immersed in either liquid or gaseous environments. Thia Faraday Discussion focuses on the nanoscale interfacial chemical processes relevant to corrosion and its control. Corrosion science is becoming increasingly important as we move towards a world where every atom counts, e.g. in maintaining the performance of nano-devices, as well for ensuring sustainability through optimum use of natural resources.

Nanoparticles can be viewed as a new type of ‘atom’ with size dependent physical, optical and electronic properties that make them suitable for a wide variety of applications. There are many open questions in the field of nanoparticle synthesis and assembly: how does the nanoparticle-nanoparticle potential govern nanoparticle formation or assembly? Can we design a nanoparticle from the ground up, according to theoretical predictions, which will self-assemble into a given nanoparticle superlattice structure? How does the assembly process vary with nanoparticle shape and the ligand coating which surrounds each nanoparticle? The answers to these questions require the coordination and collaboration of nanoparticle theorists, synthesizers, and assemblers. Following the Nanoparticle Synthesis and Assembly: Faraday Discussion (April 2015), this book brings together a diverse group of scientists to deliberate the latest developments in nanoparticle theory, synthesis and assembly and to generate new ideas and engender new collaborations between these groups.

There is great interest in converting electricity overcapacity e.g. from renewables; from fuels such as hydrogen and synthetic gasoline; or for the conversion of nitrogen to ammonia. Solid oxide electrolysis offers a high efficiency route to these conversions utilising technology similar to solid oxide fuel cells. However, there are significant differences between electrolysis and fuel cell operation, and the fundamental aspects of electrolysis have received little attention. This Faraday Discussion brings together the research of leading scientists to address the fundamental aspects of solid oxide electrolysis. Research in this field could yield a new clean chemical industry, potentially allowing greater harvesting of renewables by storing excess energy in a more useful and higher energy density form than electricity.

There is a need for the study of disordered self-assemblies of nanoparticles (NP), in contrast with the focus on ordered nanoparticle assemblies, with a view to understanding how evolving developments in the fundamentals can be translated into science/property principles underpinning applications. This Faraday Discussion focusses on the rapidly evolving field of nanoparticle self- and driven assembly, with a view to understanding how evolving developments in the fundamentals can be translated into science/property principles underpinning applications. Examining ordered superlattice arrays of ligand-passivated inorganic clusters, with applications related to size scalability and processing, this book emphasises the importance of considering both ordered and disordered assemblies, and the translation of fundamental science to applications.

Catalysis is a core area of contemporary science posing major fundamental and conceptual challenges, while being at the heart of the chemical industry. At this discussion, we bring the catalysis community together to explore the modern methods used to design new catalysts and how these approaches can bridge across the disciplines of physical sciences and chemical engineering.

Anisotropy at the nanoscale is a critical factor in the mechanical, optical, electronic, and magnetic properties of nanoparticles. Many unusual properties of colloidal materials arise due to heterogeneous spatial confinement of electrons, plasmons and electric fields around the particles. As the field of nanoparticle synthesis and application matures, there is an increasing need for the design of novel and more complex nanosized objects. In particular, the incorporation of multiple functionalities, the directionality of such functions, and the incorporation of lower or higher dimensional order have great relevance and interest for biomolecule detection, diagnosis and therapeutic medical applications. This Faraday Discussion brings together chemists, physicists, theoreticians, engineers, and biomedical researchers to discuss the use of anisotropy as a tool to design, organize and provide special functions to nanoparticles. It explores the synthesis, formation mechanisms and novel characterization tools of anisotropic nanoparticles; the preparation and properties of particles with two or multiple domains; and biomedical applications.

Photochemical reactions have tremendous scientific importance, ranging from photosynthesis to atmospheric reactions, and technologies such as sensors or displays. Due to the intrinsic complexity of photochemical reactions, they remain the least understood type of chemical process. Nonadiabatic dynamics, ultrafast time-scales, quantum effects and conical intersections are known to be important, but a detailed comprehension remains elusive. However, new experimental techniques capable of monitoring photochemical processes in unprecedented detail are appearing. Many of these techniques are being developed by research communities not traditionally concerned with photochemistry, but provide an opportunity to shed new light on photochemical dynamics. This Faraday Discussion brings together experimentalists and theoreticians working from different perspectives in the field. It provides the opportunity to identify how new techniques can complement each other, to address contention and controversy, and to propose future research.

Vibrational biomedical spectroscopy, near field methods and many aspects of associated biophotonics have advanced significantly in recent years. Diagnostic and prognostic tools based on these new technologies have the potential to revolutionise our clinical systems leading to improved patient outcome, more efficient public services and significant economic savings for healthcare providers and society. This meeting brings together scientists researching vibrational spectroscopy and the development of clinically relevant diagnostic tools to discuss the current challenges and emerging opportunities in this field.

Luminescent molecules with high efficiency in aggregate state are promising candidate materials for the development of organic light-emitting diodes, fluorescent sensors, solid-state lasers, and so on. The discovery of aggregation-induced emission (AIE), whereby the aggregation of luminogens plays a positive role, enhancing the light-emission efficiency, has attracted much interest as it offers a new platform for the exploration of practically useful luminescent materials. This Faraday Discussion brings together researchers in the field to discuss the progress made so far, current challenges and potential breakthroughs that may be accomplished in the near future. It focuses on the issues associated with the development of new fluorescent and phosphorescent AIEgens, particularly the advanced functional AIEgens with stimuli-responses, and the exploration of high-tech applications of the AIEgens, especially in the area of biomedical research.

Liquid salt innovations can offer significant benefits for improving energy efficiency and reducing the environmental impact of the production of many materials and of processing technologies. Technological advancement relies heavily on a sound understanding of the underlying science of the huge number of liquid salts and their varying properties. This Faraday Discussion aims to bring together scientists and engineers from academia and industry to discuss and debate the state of the art in liquid salts to develop a better understanding of their fundamental properties and how their application can help in addressing some of the most important current global challenges. Topics covered include energy efficiency in process chemistry and engineering, improvements in energy conversion and storage and molten salt based reactors in nuclear energy processes.

Over the last three years, there has been an increase in the range of ionic liquids utilised and significant advances in our understanding of the fundamental aspects of these materials. Therefore, the time is apt for Faraday Discussions to provide a foundation for future fundamental challenges and theories that need to be developed to move the subject area forward.This meeting follows on from Faraday Discussion 154 held in 2011 and discusses a range of topics, such as ionicity, structure, electrochemistry, phase behaviour, and introduce areas which were only emerging at that point, such as interactions with liquid and solid interfaces.Ionic liquids have been the focus of intense research over the last 20 years because of their remarkable potential for applications coupled to favourable environmental properties. Ionic liquids are also a medium whereby the nature of the complex interactions (Coulombic, van der Waals and hydrogen bonding) provides a liquid whose structure and properties can be tuned by the choice of the cation and anion wherein reactions are likely to be distinct in terms of activity and selectivity profiles compared with common molecular solvents.

There is a rapid growth of interest in the use of renewable resources, and in particular bio-resources for the manufacture of future, sustainable chemicals and materials. This movement is encouraged by end-user concerns over security of supply, legislation forcing substitution of many common chemicals, new standards for bio-based products and consumer pressure. With increasing pressure around the world to move towards bio-based chemicals, it is essential that the bio-economy is underpinned with sound science and technology. This Faraday Discussion addresses some of the critical issues in this field by bringing together experts in different but complementary areas in the chemical sciences. The book explores topics such as how green chemistry can complement biotechnology in the production of chemicals and materials; catalytic technologies best suited for the biomass challenge; biomass conversion technologies; and whether existing bio-based chemicals and materials should be used or new molecules and processes created to deal with new components.

Light induced chemical and physical processes in small organic-/inorganic-/bio-molecules have been a subject of experimental and theoretical research for several decades. Recent advances in high resolution spatio-temporal techniques have offered detailed understanding of excited state processes in small molecules. In sharp contrast, however, information on electronic processes in biomolecules such as isolated proteins and DNA (and their complexes) is still in its infancy. Though extremely complicated to uncover, knowledge of photo-excited state processes of such biomolecules in the cellular/biological context is the eventual goal of scientists working in these areas.Photochemical and photophysical processes in biomolecules are intimately involved in a multitude of functional processes, that include vision, photosynthesis, molecular recognition, gene replication, etc., and can be utilized in areas such as photodynamic therapy. Such processes in DNA are also of interest to both the biological and materials communities as memory devices and structural building blocks.In this volume, the topics covered include:Light induced charge and energy transport in nucleic acids and proteinsPhotocrosslinking between nucleic acids and proteinsLight induced damage and repair in nucleic acids and proteinsBionanophotonics

This volume brings together the work of both theoreticians and experimentalists on the synthesis of nanoparticles and their use in catalytic reactions.Heterogeneous catalysis is a core area of contemporary physical chemistry posing major fundamental and conceptual challenges, and nanoparticles are ubiquitous in many heterogeneous catalysts, therefore it is now opportune to focus a Faraday Discussion on key aspects of their synthesis, characterisation and use.This Faraday Discussion will explore the modern methods being used to design, synthesise and characterize nanoparticles and how these bridge across the disciplines of physical science and chemical engineering. The core aim of this discussion meeting is to develop a fundamental understanding of these crucial aspects of catalytic science, especially relating to nanoparticle synthesis and use in catalytic reactions, knowledge of which is essential for the design of new catalysts.

The prediction of crystal structures from first principles has been one of the grand challenges for computational methods in chemistry and materials science. The goal of being able to reliably predict crystal structures at an atomistic level of detail, given only the chemical composition as input, presents several challenges. A solution to the crystal structure prediction challenge requires advances in several areas of computational chemistry. Theoretical chemists have naturally been drawn to these challenges from an academic perspective, while the development of methods for solving the problem of crystal structure prediction has also been motivated by a growing range of applications where reliable structure prediction is sought and could guide experimentation.Crystal structure predictions have been used to study organic molecules such as polymorphism of pharmaceutical molecules, where changes in crystal form can lead to changes in important physical and chemical properties, which must be strictly controlled in a pharmaceutical product, or inorganic materials where the discovery and computational design of new materials with targeted properties, such as porosity, electronic or mechanical properties are necessary. However, the communities addressing methods and applications in organic and inorganic crystal structure prediction have largely remained separate, due to the different approaches that have been used in these two areas. The community as a whole will benefit from the cross-fertilisation of ideas and methods in this volume, as well as from bringing theoreticians together with interested experimentalists.The volume will appeal to researchers from computational chemistry, informatics, physics (applying solid state electronic structure methods) and materials science in the development of methods. Applications of the methods also cover several fields, including crystallography, crystal engineering, mineralogy and pharmaceutical materials.This volume gathers key researchers representing the full scientific scope of the topic, including the developers of methods and software, those developing the application of the methods and interested experimentalists who may benefit from advances in predictive computational methods.In this volume the topics covered include:Structure searching methodsCrystal structure evaluation: calculating relative stabilities and other criteriaApplications of crystal structure prediction – organic molecular structuresApplications of crystal structure prediction – inorganic and network structures

The quantum mechanical properties of small molecules provide the basis for our quantitative understanding of chemistry and a testing ground for new theories of molecular structure and reactivity. With modern methods, small molecular systems can be investigated in extraordinary detail by high-resolution spectroscopic techniques in the frequency or the time domains, and by complementary theoretical and computational advances. This combination of cutting-edge approaches provides rigorous tests of our understanding of quantum phenomena in chemistry. The chemical properties of small molecules continue to present rich challenges at the chemistry/physics interface since these molecules exhibit properties in isolation, and interact with their environments, in ways that are not yet fully understood. The coupled electronic and nuclear motions may lead to complex structural or dynamical features that can now be observed experimentally. From a theoretical point of view, these features can only be explained if the quantum nature of the atomic nuclei is considered together with the possible couplings between nuclear and electronic degrees of freedom.New developments, from both the theoretical and experimental side, are urgently needed if the properties of small molecules are to be optimally exploited in future technological, engineering and biological applications of outstanding importance.This Faraday Discussion will address the quantum dynamical properties of small molecules, both in isolation where extraordinarily detailed and precise measurements and calculations are now emerging, and when embedded in complex media such as molecular clusters, quantum fluids and bulk liquids.The Discussion will appeal to researchers working on both isolated and confined molecular systems.This volume covers four main themes:Precise Characterisation of Isolated MoleculesQuantum Dynamics of Isolated MoleculesMolecules in Confinement in Liquid SolventsMolecules in Confinement in Clusters, Quantum Solvents and Matrices

This volume will focus on the chemistry, physics and material sciences contributions toward the rapidly evolving field of artificial water channels. The development of synthetic biomimetic artificial water-channels and pores is key for a better understanding of the natural function of protein channels. It is hoped to offer new strategies to generate highly selective, advanced materials for water purification systems.While synthetic chemists have produced sophisticated architectures able to confine water clusters, most water channel based work is being conducted with natural protein channels as selectivity components, embedded in the diverse arrays of bio-assisted artificial systems. Experimental results have demonstrated that natural biomolecules can be used as bio-assisted building blocks for the construction of highly selective water transport through artificial channels. Moving to simpler water-channel systems offers a chance to better understand mechanistic and structural behaviours and to uncover novel interactive water channels that might parallel those in biomolecular systems.In this volume the topics covered include:Structure and function of natural proteins for water transportBiomimetic water channelsThe modelling and enhancement of water hydrodynamicsApplications to water transport systems