Project acronym 3DIMAGE
Project 3D Imaging Across Lengthscales: From Atoms to Grains
Researcher (PI) Paul Anthony Midgley
Host Institution (HI) THE CHANCELLOR MASTERS AND SCHOLARS OF THE UNIVERSITY OF CAMBRIDGE
Call Details Advanced Grant (AdG), PE4, ERC-2011-ADG_20110209
Summary "Understanding structure-property relationships across lengthscales is key to the design of functional and structural materials and devices. Moreover, the complexity of modern devices extends to three dimensions and as such 3D characterization is required across those lengthscales to provide a complete understanding and enable improvement in the material’s physical and chemical behaviour. 3D imaging and analysis from the atomic scale through to granular microstructure is proposed through the development of electron tomography using (S)TEM, and ‘dual beam’ SEM-FIB, techniques offering complementary approaches to 3D imaging across lengthscales stretching over 5 orders of magnitude.
We propose to extend tomography to include novel methods to determine atom positions in 3D with approaches incorporating new reconstruction algorithms, image processing and complementary nano-diffraction techniques. At the nanoscale, true 3D nano-metrology of morphology and composition is a key objective of the project, minimizing reconstruction and visualization artefacts. Mapping strain and optical properties in 3D are ambitious and exciting challenges that will yield new information at the nanoscale. Using the SEM-FIB, 3D ‘mesoscale’ structures will be revealed: morphology, crystallography and composition can be mapped simultaneously, with ~5nm resolution and over volumes too large to tackle by (S)TEM and too small for most x-ray techniques. In parallel, we will apply 3D imaging to a wide variety of key materials including heterogeneous catalysts, aerospace alloys, biomaterials, photovoltaic materials, and novel semiconductors.
We will collaborate with many departments in Cambridge and institutes worldwide. The personnel on the proposal will cover all aspects of the tomography proposed using high-end TEMs, including an aberration-corrected Titan, and a Helios dual beam. Importantly, a postdoc is dedicated to developing new algorithms for reconstruction, image and spectral processing."
Summary
"Understanding structure-property relationships across lengthscales is key to the design of functional and structural materials and devices. Moreover, the complexity of modern devices extends to three dimensions and as such 3D characterization is required across those lengthscales to provide a complete understanding and enable improvement in the material’s physical and chemical behaviour. 3D imaging and analysis from the atomic scale through to granular microstructure is proposed through the development of electron tomography using (S)TEM, and ‘dual beam’ SEM-FIB, techniques offering complementary approaches to 3D imaging across lengthscales stretching over 5 orders of magnitude.
We propose to extend tomography to include novel methods to determine atom positions in 3D with approaches incorporating new reconstruction algorithms, image processing and complementary nano-diffraction techniques. At the nanoscale, true 3D nano-metrology of morphology and composition is a key objective of the project, minimizing reconstruction and visualization artefacts. Mapping strain and optical properties in 3D are ambitious and exciting challenges that will yield new information at the nanoscale. Using the SEM-FIB, 3D ‘mesoscale’ structures will be revealed: morphology, crystallography and composition can be mapped simultaneously, with ~5nm resolution and over volumes too large to tackle by (S)TEM and too small for most x-ray techniques. In parallel, we will apply 3D imaging to a wide variety of key materials including heterogeneous catalysts, aerospace alloys, biomaterials, photovoltaic materials, and novel semiconductors.
We will collaborate with many departments in Cambridge and institutes worldwide. The personnel on the proposal will cover all aspects of the tomography proposed using high-end TEMs, including an aberration-corrected Titan, and a Helios dual beam. Importantly, a postdoc is dedicated to developing new algorithms for reconstruction, image and spectral processing."
Max ERC Funding
2 337 330 €
Duration
Start date: 2012-01-01, End date: 2017-12-31
Project acronym ABACUS
Project Ab-initio adiabatic-connection curves for density-functional analysis and construction
Researcher (PI) Trygve Ulf Helgaker
Host Institution (HI) UNIVERSITETET I OSLO
Call Details Advanced Grant (AdG), PE4, ERC-2010-AdG_20100224
Summary Quantum chemistry provides two approaches to molecular electronic-structure calculations: the systematically refinable but expensive many-body wave-function methods and the inexpensive but not systematically refinable Kohn Sham method of density-functional theory (DFT). The accuracy of Kohn Sham calculations is determined by the quality of the exchange correlation functional, from which the effects of exchange and correlation among the electrons are extracted using the density rather than the wave function. However, the exact exchange correlation functional is unknown—instead, many approximate forms have been developed, by fitting to experimental data or by satisfying exact relations. Here, a new approach to density-functional analysis and construction is proposed: the Lieb variation principle, usually regarded as conceptually important but impracticable. By invoking the Lieb principle, it becomes possible to approach the development of approximate functionals in a novel manner, being directly guided by the behaviour of exact functional, accurately calculated for a wide variety of chemical systems. In particular, this principle will be used to calculate ab-initio adiabatic connection curves, studying the exchange correlation functional for a fixed density as the electronic interactions are turned on from zero to one. Pilot calculations have indicated the feasibility of this approach in simple cases—here, a comprehensive set of adiabatic-connection curves will be generated and utilized for calibration, construction, and analysis of density functionals, the objective being to produce improved functionals for Kohn Sham calculations by modelling or fitting such curves. The ABACUS approach will be particularly important in cases where little experimental information is available—for example, for understanding and modelling the behaviour of the exchange correlation functional in electromagnetic fields.
Summary
Quantum chemistry provides two approaches to molecular electronic-structure calculations: the systematically refinable but expensive many-body wave-function methods and the inexpensive but not systematically refinable Kohn Sham method of density-functional theory (DFT). The accuracy of Kohn Sham calculations is determined by the quality of the exchange correlation functional, from which the effects of exchange and correlation among the electrons are extracted using the density rather than the wave function. However, the exact exchange correlation functional is unknown—instead, many approximate forms have been developed, by fitting to experimental data or by satisfying exact relations. Here, a new approach to density-functional analysis and construction is proposed: the Lieb variation principle, usually regarded as conceptually important but impracticable. By invoking the Lieb principle, it becomes possible to approach the development of approximate functionals in a novel manner, being directly guided by the behaviour of exact functional, accurately calculated for a wide variety of chemical systems. In particular, this principle will be used to calculate ab-initio adiabatic connection curves, studying the exchange correlation functional for a fixed density as the electronic interactions are turned on from zero to one. Pilot calculations have indicated the feasibility of this approach in simple cases—here, a comprehensive set of adiabatic-connection curves will be generated and utilized for calibration, construction, and analysis of density functionals, the objective being to produce improved functionals for Kohn Sham calculations by modelling or fitting such curves. The ABACUS approach will be particularly important in cases where little experimental information is available—for example, for understanding and modelling the behaviour of the exchange correlation functional in electromagnetic fields.
Max ERC Funding
2 017 932 €
Duration
Start date: 2011-03-01, End date: 2016-02-29
Project acronym AFTERTHEGOLDRUSH
Project Addressing global sustainability challenges by changing perceptions in catalyst design
Researcher (PI) Graham John Hutchings
Host Institution (HI) CARDIFF UNIVERSITY
Call Details Advanced Grant (AdG), PE4, ERC-2011-ADG_20110209
Summary One of the greatest challenges facing society is the sustainability of resources. At present, a step change in the sustainable use of resources is needed and catalysis lies at the heart of the solution by providing new routes to carbon dioxide mitigation, energy security and water conservation. It is clear that new high efficiency game-changing catalysts are required to meet the challenge. This proposal will focus on excellence in catalyst design by learning from recent step change advances in gold catalysis by challenging perceptions. Intense interest in gold catalysts over the past two decades has accelerated our understanding of gold particle-size effects, gold-support and gold-metal interactions, the interchange between atomic and ionic gold species, and the role of the gold-support interface in creating and maintaining catalytic activity. The field has also driven the development of cutting-edge techniques, particularly in microscopy and transient kinetics, providing detailed structural characterisation on the nano-scale and probing the short-range and often short-lived interactions. By comparison, our understanding of other metal catalysts has remained relatively static.
The proposed programme will engender a step change in the design of supported-metal catalysts, by exploiting the learning and the techniques emerging from gold catalysis. The research will be set out in two themes. In Theme 1 two established key grand challenges will be attacked; namely, energy vectors and greenhouse gas control. Theme 2 will address two new and emerging grand challenges in catalysis namely the effective low temperature activation of primary carbon hydrogen bonds and CO2 utilisation where instead of treating CO2 as a thermodynamic endpoint, the aim will be to re-use it as a feedstock for bulk chemical and fuel production. The legacy of the research will be the development of a new catalyst design approach that will provide a tool box for future catalyst development.
Summary
One of the greatest challenges facing society is the sustainability of resources. At present, a step change in the sustainable use of resources is needed and catalysis lies at the heart of the solution by providing new routes to carbon dioxide mitigation, energy security and water conservation. It is clear that new high efficiency game-changing catalysts are required to meet the challenge. This proposal will focus on excellence in catalyst design by learning from recent step change advances in gold catalysis by challenging perceptions. Intense interest in gold catalysts over the past two decades has accelerated our understanding of gold particle-size effects, gold-support and gold-metal interactions, the interchange between atomic and ionic gold species, and the role of the gold-support interface in creating and maintaining catalytic activity. The field has also driven the development of cutting-edge techniques, particularly in microscopy and transient kinetics, providing detailed structural characterisation on the nano-scale and probing the short-range and often short-lived interactions. By comparison, our understanding of other metal catalysts has remained relatively static.
The proposed programme will engender a step change in the design of supported-metal catalysts, by exploiting the learning and the techniques emerging from gold catalysis. The research will be set out in two themes. In Theme 1 two established key grand challenges will be attacked; namely, energy vectors and greenhouse gas control. Theme 2 will address two new and emerging grand challenges in catalysis namely the effective low temperature activation of primary carbon hydrogen bonds and CO2 utilisation where instead of treating CO2 as a thermodynamic endpoint, the aim will be to re-use it as a feedstock for bulk chemical and fuel production. The legacy of the research will be the development of a new catalyst design approach that will provide a tool box for future catalyst development.
Max ERC Funding
2 279 785 €
Duration
Start date: 2012-04-01, End date: 2017-03-31
Project acronym BATNMR
Project Development and Application of New NMR Methods for Studying Interphases and Interfaces in Batteries
Researcher (PI) Clare GREY
Host Institution (HI) THE CHANCELLOR MASTERS AND SCHOLARS OF THE UNIVERSITY OF CAMBRIDGE
Call Details Advanced Grant (AdG), PE4, ERC-2018-ADG
Summary The development of longer lasting, higher energy density and cheaper rechargeable batteries represents one of the major technological challenges of our society, batteries representing the limiting components in the shift from gasoline-powered to electric vehicles. They are also required to enable the use of more (typically intermittent) renewable energy, to balance demand with generation. This proposal seeks to develop and apply new NMR metrologies to determine the structure and dynamics of the multiple electrode-electrolyte interfaces and interphases that are present in these batteries, and how they evolve during battery cycling. New dynamic nuclear polarization (DNP) techniques will be exploited to extract structural information about the interface between the battery electrode and the passivating layers that grow on the electrode materials (the solid electrolyte interphase, SEI) and that are inherent to the stability of the batteries. The role of the SEI (and ceramic interfaces) in controlling lithium metal dendrite growth will be determined in liquid based and all solid state batteries.
New DNP approaches will be developed that are compatible with the heterogeneous and reactive species that are present in conventional, all-solid state, Li-air and redox flow batteries. Method development will run in parallel with the use of DNP approaches to determine the structures of the various battery interfaces and interphases, testing the stability of conventional biradicals in these harsh oxidizing and reducing conditions, modifying the experimental approaches where appropriate. The final result will be a significantly improved understanding of the structures of these phases and how they evolve on cycling, coupled with strategies for designing improved SEI structures. The nature of the interface between a lithium metal dendrite and ceramic composite will be determined, providing much needed insight into how these (unwanted) dendrites grow in all solid state batteries. DNP approaches coupled with electron spin resonance will be use, where possible in situ, to determine the reaction mechanisms of organic molecules such as quinones in organic-based redox flow batteries in order to help prevent degradation of the electrochemically active species.
This proposal involves NMR method development specifically designed to explore a variety of battery chemistries. Thus, this proposal is interdisciplinary, containing both a strong emphasis on materials characterization, electrochemistry and electronic structures of materials, interfaces and nanoparticles, and on analytical and physical chemistry. Some of the methodology will be applicable to other materials and systems including (for example) other electrochemical technologies such as fuel cells and solar fuels and the study of catalysts (to probe surface structure).
Summary
The development of longer lasting, higher energy density and cheaper rechargeable batteries represents one of the major technological challenges of our society, batteries representing the limiting components in the shift from gasoline-powered to electric vehicles. They are also required to enable the use of more (typically intermittent) renewable energy, to balance demand with generation. This proposal seeks to develop and apply new NMR metrologies to determine the structure and dynamics of the multiple electrode-electrolyte interfaces and interphases that are present in these batteries, and how they evolve during battery cycling. New dynamic nuclear polarization (DNP) techniques will be exploited to extract structural information about the interface between the battery electrode and the passivating layers that grow on the electrode materials (the solid electrolyte interphase, SEI) and that are inherent to the stability of the batteries. The role of the SEI (and ceramic interfaces) in controlling lithium metal dendrite growth will be determined in liquid based and all solid state batteries.
New DNP approaches will be developed that are compatible with the heterogeneous and reactive species that are present in conventional, all-solid state, Li-air and redox flow batteries. Method development will run in parallel with the use of DNP approaches to determine the structures of the various battery interfaces and interphases, testing the stability of conventional biradicals in these harsh oxidizing and reducing conditions, modifying the experimental approaches where appropriate. The final result will be a significantly improved understanding of the structures of these phases and how they evolve on cycling, coupled with strategies for designing improved SEI structures. The nature of the interface between a lithium metal dendrite and ceramic composite will be determined, providing much needed insight into how these (unwanted) dendrites grow in all solid state batteries. DNP approaches coupled with electron spin resonance will be use, where possible in situ, to determine the reaction mechanisms of organic molecules such as quinones in organic-based redox flow batteries in order to help prevent degradation of the electrochemically active species.
This proposal involves NMR method development specifically designed to explore a variety of battery chemistries. Thus, this proposal is interdisciplinary, containing both a strong emphasis on materials characterization, electrochemistry and electronic structures of materials, interfaces and nanoparticles, and on analytical and physical chemistry. Some of the methodology will be applicable to other materials and systems including (for example) other electrochemical technologies such as fuel cells and solar fuels and the study of catalysts (to probe surface structure).
Max ERC Funding
3 498 219 €
Duration
Start date: 2019-10-01, End date: 2024-09-30
Project acronym CAPRI
Project Chemical and photochemical dynamics of reactions in solution
Researcher (PI) Andrew John Orr-Ewing
Host Institution (HI) UNIVERSITY OF BRISTOL
Call Details Advanced Grant (AdG), PE4, ERC-2011-ADG_20110209
Summary Ultrafast laser methods will be employed to examine the dynamics of chemical and photochemical reactions in liquid solutions. By contrasting the solution phase dynamics with those observed for isolated collisions in the gas phase, the fundamental role of solvent on chemical pathways will be explored at a molecular level. The experimental studies will be complemented by computational simulations that explicitly include treatment of the effects of solvent on reaction energy pathways and reactant and product motions.
The research addresses a major challenge in Chemistry to understand the role of solvent on the mechanisms of chemical reactions. Questions that will be examined include how the solvent modifies reaction barriers and other regions of the reaction potential energy surface (PESs), alters the couplings between PESs, most importantly at conical intersections between electronic states, influences and constrains the dynamical stereochemistry of passage through transition states, and dissipates excess product energy.
The experimental strategy will be to obtain absorption spectra of transient species with lifetimes of ~100 fs – 1000 ps using broad bandwidth light sources in the infrared, visible and ultraviolet regions. Time-evolutions of such spectra reveal the formation and decay of short-lived species that might be highly reactive radicals or internally (vibrationally and electronically) excited molecules. The transient species decay by reaction or energy loss to the solvent. Statistical mechanical theories of reactions in solution treat such processes using linear response theory, but the experimental data will challenge this paradigm by seeking evidence for breakdown of the linear response interaction of solvent and solute on short timescales because of microscopic chemical dynamics that perturb the solvent structure. The work will build on our pioneering experiments at the Rutherford Appleton Laboratory that prove the feasilbility of the methods.
Summary
Ultrafast laser methods will be employed to examine the dynamics of chemical and photochemical reactions in liquid solutions. By contrasting the solution phase dynamics with those observed for isolated collisions in the gas phase, the fundamental role of solvent on chemical pathways will be explored at a molecular level. The experimental studies will be complemented by computational simulations that explicitly include treatment of the effects of solvent on reaction energy pathways and reactant and product motions.
The research addresses a major challenge in Chemistry to understand the role of solvent on the mechanisms of chemical reactions. Questions that will be examined include how the solvent modifies reaction barriers and other regions of the reaction potential energy surface (PESs), alters the couplings between PESs, most importantly at conical intersections between electronic states, influences and constrains the dynamical stereochemistry of passage through transition states, and dissipates excess product energy.
The experimental strategy will be to obtain absorption spectra of transient species with lifetimes of ~100 fs – 1000 ps using broad bandwidth light sources in the infrared, visible and ultraviolet regions. Time-evolutions of such spectra reveal the formation and decay of short-lived species that might be highly reactive radicals or internally (vibrationally and electronically) excited molecules. The transient species decay by reaction or energy loss to the solvent. Statistical mechanical theories of reactions in solution treat such processes using linear response theory, but the experimental data will challenge this paradigm by seeking evidence for breakdown of the linear response interaction of solvent and solute on short timescales because of microscopic chemical dynamics that perturb the solvent structure. The work will build on our pioneering experiments at the Rutherford Appleton Laboratory that prove the feasilbility of the methods.
Max ERC Funding
2 666 684 €
Duration
Start date: 2012-02-01, End date: 2017-01-31
Project acronym CartiLube
Project Lubricating Cartilage: exploring the relation between lubrication and gene-regulation to alleviate osteoarthritis
Researcher (PI) Jacob KLEIN
Host Institution (HI) WEIZMANN INSTITUTE OF SCIENCE
Call Details Advanced Grant (AdG), PE4, ERC-2016-ADG
Summary Can we exploit insights from the remarkably lubricated surfaces of articular cartilage, to create lubricants that may alleviate osteoarthritis (OA), the most widespread joint disease, affecting millions? These, succinctly, are the challenges of the present proposal. They are driven by our recent finding that lubrication of destabilised joints leads to changes in gene-regulation of the cartilage-embedded chondrocytes to protect against development of the disease. OA alleviation is known to arise through orthopedically suppressing shear-stresses on the cartilage, and a central premise of this project is that, by reducing friction at the articulating cartilage through suitable lubrication, we may achieve the same beneficial effect on the disease. The objectives of this project are to better understand the origins of cartilage boundary lubrication through examination of friction-reduction by its main molecular components, and exploit that understanding to create lubricants that, on intra-articular injection, will lubricate cartilage sufficiently well to achieve alleviation of OA via gene regulation. The project will examine, via both nanotribometric and macroscopic measurements, how the main molecular species implicated in cartilage lubrication, lipids, hyaluronan and lubricin, and their combinations, act together to form optimally lubricating boundary layers on model surfaces as well as on excised cartilage. Based on this, we shall develop suitable materials to lubricate cartilage in joints, using mouse models. Lubricants will further be optimized with respect to their retention in the joint and cartilage targeting, both in model studies and in vivo. The effect of the lubricants in regulating gene expression, in reducing pain and cartilage degradation, and in promoting stem-cell adhesion to the cartilage will be studied in a mouse model in which OA has been induced. Our results will have implications for treatment of a common, debilitating disease.
Summary
Can we exploit insights from the remarkably lubricated surfaces of articular cartilage, to create lubricants that may alleviate osteoarthritis (OA), the most widespread joint disease, affecting millions? These, succinctly, are the challenges of the present proposal. They are driven by our recent finding that lubrication of destabilised joints leads to changes in gene-regulation of the cartilage-embedded chondrocytes to protect against development of the disease. OA alleviation is known to arise through orthopedically suppressing shear-stresses on the cartilage, and a central premise of this project is that, by reducing friction at the articulating cartilage through suitable lubrication, we may achieve the same beneficial effect on the disease. The objectives of this project are to better understand the origins of cartilage boundary lubrication through examination of friction-reduction by its main molecular components, and exploit that understanding to create lubricants that, on intra-articular injection, will lubricate cartilage sufficiently well to achieve alleviation of OA via gene regulation. The project will examine, via both nanotribometric and macroscopic measurements, how the main molecular species implicated in cartilage lubrication, lipids, hyaluronan and lubricin, and their combinations, act together to form optimally lubricating boundary layers on model surfaces as well as on excised cartilage. Based on this, we shall develop suitable materials to lubricate cartilage in joints, using mouse models. Lubricants will further be optimized with respect to their retention in the joint and cartilage targeting, both in model studies and in vivo. The effect of the lubricants in regulating gene expression, in reducing pain and cartilage degradation, and in promoting stem-cell adhesion to the cartilage will be studied in a mouse model in which OA has been induced. Our results will have implications for treatment of a common, debilitating disease.
Max ERC Funding
2 499 944 €
Duration
Start date: 2017-09-01, End date: 2022-08-31
Project acronym ChemNav
Project Magnetic sensing by molecules, birds, and devices
Researcher (PI) Peter John Hore
Host Institution (HI) THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD
Call Details Advanced Grant (AdG), PE4, ERC-2013-ADG
Summary The sensory mechanisms that allow birds to perceive the direction of the Earth’s magnetic field for the purpose of navigation are only now beginning to be understood. One of the two leading hypotheses is founded on magnetically sensitive photochemical reactions in the retina. It is thought that transient photo-induced radical pairs in cryptochrome, a blue-light photoreceptor protein, act as the primary magnetic sensor. Experimental and theoretical support for this mechanism has been accumulating over the last few years, qualifying chemical magnetoreception for a place in the emerging field of Quantum Biology.
In this proposal, we aim to determine the detailed principles of efficient chemical sensing of weak magnetic fields, to elucidate the biophysics of animal compass magnetoreception, and to explore the possibilities of magnetic sensing technologies inspired by the coherent dynamics of entangled electron spins in cryptochrome-based radical pairs.
We will:
(a) Establish the fundamental structural, kinetic, dynamic and magnetic properties that allow efficient chemical sensing of Earth-strength magnetic fields in cryptochromes.
(b) Devise new, sensitive forms of optical spectroscopy for this purpose.
(c) Design, construct and iteratively refine non-natural proteins (maquettes) as versatile model systems for testing and optimising molecular magnetoreceptors.
(d) Characterise the spin dynamics and magnetic sensitivity of maquette magnetoreceptors using specialised magnetic resonance and optical spectroscopic techniques.
(e) Develop efficient and accurate methods for simulating the coherent spin dynamics of realistic radical pairs in order to interpret experimental data, guide the implementation of new experiments, test concepts of magnetoreceptor function, and guide the design of efficient sensors.
(f) Explore the feasibility of electronically addressable, organic semiconductor sensors inspired by radical pair magnetoreception.
Summary
The sensory mechanisms that allow birds to perceive the direction of the Earth’s magnetic field for the purpose of navigation are only now beginning to be understood. One of the two leading hypotheses is founded on magnetically sensitive photochemical reactions in the retina. It is thought that transient photo-induced radical pairs in cryptochrome, a blue-light photoreceptor protein, act as the primary magnetic sensor. Experimental and theoretical support for this mechanism has been accumulating over the last few years, qualifying chemical magnetoreception for a place in the emerging field of Quantum Biology.
In this proposal, we aim to determine the detailed principles of efficient chemical sensing of weak magnetic fields, to elucidate the biophysics of animal compass magnetoreception, and to explore the possibilities of magnetic sensing technologies inspired by the coherent dynamics of entangled electron spins in cryptochrome-based radical pairs.
We will:
(a) Establish the fundamental structural, kinetic, dynamic and magnetic properties that allow efficient chemical sensing of Earth-strength magnetic fields in cryptochromes.
(b) Devise new, sensitive forms of optical spectroscopy for this purpose.
(c) Design, construct and iteratively refine non-natural proteins (maquettes) as versatile model systems for testing and optimising molecular magnetoreceptors.
(d) Characterise the spin dynamics and magnetic sensitivity of maquette magnetoreceptors using specialised magnetic resonance and optical spectroscopic techniques.
(e) Develop efficient and accurate methods for simulating the coherent spin dynamics of realistic radical pairs in order to interpret experimental data, guide the implementation of new experiments, test concepts of magnetoreceptor function, and guide the design of efficient sensors.
(f) Explore the feasibility of electronically addressable, organic semiconductor sensors inspired by radical pair magnetoreception.
Max ERC Funding
2 997 062 €
Duration
Start date: 2013-12-01, End date: 2018-11-30
Project acronym CISS
Project Chiral Induced Spin Selectivity
Researcher (PI) Ron Naaman
Host Institution (HI) WEIZMANN INSTITUTE OF SCIENCE
Call Details Advanced Grant (AdG), PE4, ERC-2013-ADG
Summary The overall objective is to fully understand the Chiral Induced Spin Selectivity (CISS) effect, which was discovered recently. It was found that the transmission or conduction of electrons through chiral molecules is spin dependent. The CISS effect is a change in the pradigm that assumed that any spin manipulation requiers magnetic materials or materials with high spin-orbit coupling. These unexpected new findings open new possibilities for applying chiral molecules in spintronics applications and may provide new insights on electron transfer processes in Biology.
The specific goals of the proposed research are
(i) To establish the parameters that affect the magnitude of the CISS effect.
(ii) To demonstrate spintronics devices (memory and transistors) that are based on the CISS effect.
(iii) To investigate the role of CISS in electron transfer in biology related systems.
The experiments will be performed applying a combination of experimental methods including photoelectron spectroscopy, single molecule conduction, light-induced electron transfer, and spin specific conduction through magneto-electric devices.
The project has a potential to have very large impact on various fields from Physics to Biology. It will result in the establishment of chiral organic molecules as a new substrate for wide range of spintronics related applications including magnetic memory, and in determining whether spins play a role in electron transfer processes in biology.
Summary
The overall objective is to fully understand the Chiral Induced Spin Selectivity (CISS) effect, which was discovered recently. It was found that the transmission or conduction of electrons through chiral molecules is spin dependent. The CISS effect is a change in the pradigm that assumed that any spin manipulation requiers magnetic materials or materials with high spin-orbit coupling. These unexpected new findings open new possibilities for applying chiral molecules in spintronics applications and may provide new insights on electron transfer processes in Biology.
The specific goals of the proposed research are
(i) To establish the parameters that affect the magnitude of the CISS effect.
(ii) To demonstrate spintronics devices (memory and transistors) that are based on the CISS effect.
(iii) To investigate the role of CISS in electron transfer in biology related systems.
The experiments will be performed applying a combination of experimental methods including photoelectron spectroscopy, single molecule conduction, light-induced electron transfer, and spin specific conduction through magneto-electric devices.
The project has a potential to have very large impact on various fields from Physics to Biology. It will result in the establishment of chiral organic molecules as a new substrate for wide range of spintronics related applications including magnetic memory, and in determining whether spins play a role in electron transfer processes in biology.
Max ERC Funding
2 499 998 €
Duration
Start date: 2013-10-01, End date: 2018-09-30
Project acronym COMPSELF
Project Self-Organisation: From Molecules to Matter
Researcher (PI) David John Wales
Host Institution (HI) THE CHANCELLOR MASTERS AND SCHOLARS OF THE UNIVERSITY OF CAMBRIDGE
Call Details Advanced Grant (AdG), PE4, ERC-2010-AdG_20100224
Summary This research proposal concerns the theory and computer simulation of self-organisation to predict properties and to design systems with specified characteristics. The key computational challenge is to explore the energy landscape for complex systems and make predictions to characterise efficient self-organisation on experimental time and length scales. Novel methodology is required to overcome the problems of broken ergodicity and rare events. The theoretical framework exploits stationary points of the potential energy landscape to access the required time and length scales. Applications include self-assembly of mesoscopic structures from coarse-grained building blocks and all-atom simulations of conformational changes in specific proteins and nucleic acids.
We aim to establish design principles for efficient self-assembly by developing novel tools for visualising and exploration of the corresponding landscape. Here, a key issue is how the interactions between the constituent particles determine the organisation of the energy landscape. Identifying which features lead to successful self-assembly and which disrupt such ordering will lead to a wide range of important applications, ranging from design of new materials to identifying new anti-viral drugs. The same methodology will be applied to detailed models of specific biomolecules, where self-organisation into alternative structures is associated with disease. Global optimisation will be employed in structure prediction for variable pathogens, such as human influenza virus. Pathways for folding and misfolding of specific proteins and nucleic acids will be characterised using novel rare events methodology, providing insight into intermediates that could serve as potential drug targets.
Summary
This research proposal concerns the theory and computer simulation of self-organisation to predict properties and to design systems with specified characteristics. The key computational challenge is to explore the energy landscape for complex systems and make predictions to characterise efficient self-organisation on experimental time and length scales. Novel methodology is required to overcome the problems of broken ergodicity and rare events. The theoretical framework exploits stationary points of the potential energy landscape to access the required time and length scales. Applications include self-assembly of mesoscopic structures from coarse-grained building blocks and all-atom simulations of conformational changes in specific proteins and nucleic acids.
We aim to establish design principles for efficient self-assembly by developing novel tools for visualising and exploration of the corresponding landscape. Here, a key issue is how the interactions between the constituent particles determine the organisation of the energy landscape. Identifying which features lead to successful self-assembly and which disrupt such ordering will lead to a wide range of important applications, ranging from design of new materials to identifying new anti-viral drugs. The same methodology will be applied to detailed models of specific biomolecules, where self-organisation into alternative structures is associated with disease. Global optimisation will be employed in structure prediction for variable pathogens, such as human influenza virus. Pathways for folding and misfolding of specific proteins and nucleic acids will be characterised using novel rare events methodology, providing insight into intermediates that could serve as potential drug targets.
Max ERC Funding
2 069 374 €
Duration
Start date: 2011-03-01, End date: 2016-02-29
Project acronym CONTROL
Project Laser control over crystal nucleation
Researcher (PI) Klaas Wijnne
Host Institution (HI) UNIVERSITY OF GLASGOW
Call Details Advanced Grant (AdG), PE4, ERC-2018-ADG
Summary The CONTROL programme I propose here is a five-year programme of frontier research to develop a novel platform for the manipulation of phase transitions, crystal nucleation, and polymorph control based on a novel optical-tweezing technique and plasmonics. About 20 years ago, it was shown that lasers can nucleate crystals in super-saturated solution and might even be able to select the polymorph that crystallises. However, no theoretical model was found explaining the results and little progress was made.
In a recent publication (Nat. Chem. 10, 506 (2018)), we showed that laser-induced nucleation can be understood in terms of the harnessing of concentration fluctuations near a liquid–liquid critical point using optical tweezing. This breakthrough opens the way to a research programme with risky, ambitious, and ground-breaking long-term aims: full control over crystal nucleation including chirality and polymorphism.
New optical and microscopic techniques will be developed to allow laser manipulation on a massively parallel scale and chiral nucleation using twisted light. Systematically characterising and manipulating the phase behaviour of mixtures, will allow the use of the optical-tweezing effect to effectively control the crystallisation of small molecules, peptides, proteins, and polymers. Exploiting nanostructures will allow parallelisation on a vast scale and fine control over chirality and polymorph selection through plasmonic tweezing. Even partial success in the five years of the programme will lead to fundamental new insights and technological breakthroughs. These breakthroughs will be exploited for future commercial applications towards the end of the project.
Summary
The CONTROL programme I propose here is a five-year programme of frontier research to develop a novel platform for the manipulation of phase transitions, crystal nucleation, and polymorph control based on a novel optical-tweezing technique and plasmonics. About 20 years ago, it was shown that lasers can nucleate crystals in super-saturated solution and might even be able to select the polymorph that crystallises. However, no theoretical model was found explaining the results and little progress was made.
In a recent publication (Nat. Chem. 10, 506 (2018)), we showed that laser-induced nucleation can be understood in terms of the harnessing of concentration fluctuations near a liquid–liquid critical point using optical tweezing. This breakthrough opens the way to a research programme with risky, ambitious, and ground-breaking long-term aims: full control over crystal nucleation including chirality and polymorphism.
New optical and microscopic techniques will be developed to allow laser manipulation on a massively parallel scale and chiral nucleation using twisted light. Systematically characterising and manipulating the phase behaviour of mixtures, will allow the use of the optical-tweezing effect to effectively control the crystallisation of small molecules, peptides, proteins, and polymers. Exploiting nanostructures will allow parallelisation on a vast scale and fine control over chirality and polymorph selection through plasmonic tweezing. Even partial success in the five years of the programme will lead to fundamental new insights and technological breakthroughs. These breakthroughs will be exploited for future commercial applications towards the end of the project.
Max ERC Funding
2 488 162 €
Duration
Start date: 2019-09-01, End date: 2024-08-31
