Improving the performance of rock salt type cathodes for Li-ion batteries through control of the transition metal cation migration using redox reactions of the oxygen sublattice and Li-conductive coatings. 01/01/2016 - 31/12/2019

Abstract

The performance of Li-ion batteries is still far below the threshold for automotive and grid applications. This largely depends on the cathode. The commercially most developed cathode is LiCoO2, but there is a better alternative in LiNixMnxCo1-2xO2(NMC). However, even the best NMC still suffers poor electrode kinetics and large voltage decays on cycling, due to structural rearrangements upon charge-discharge. We propose to engineer the reversibility of the structural transformation also in NMC by coupling the TM cation migration with redox changes at the oxygen sublattice through dedicated TM cation replacement. We also propose to develop a Li-ion conducting coating to prevent contact between electrolyte and cathode to stop oxygen and cation loss and improve the capacity retention.

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Tailored oxide nanomaterials for regenerative fuel cells (NANO-MORF). 01/10/2015 - 30/09/2018

Abstract

Unitized regenerative fuel cells (URFCs) are currently attracting an increased attention as an emerging technology for storage and conversion of surplus electricity produced from renewable energy sources (solar, wind). In this context the challenge is to develop active, stable, and inexpensive electrocatalytic materials for the electrodes of URFCs. The objective of the project proposal is the design of advanced noble metal-free transition metal nano-oxides for the oxygen reduction (ORR) and oxygen evolution reaction (OER) in alkaline media in view of their application in URFCs. In order to achieve this goal we assemble an international interdisciplinary team and combine advanced characterization tools, synthesis, electrochemical methods, kinetic modeling, quantum and computational chemistry. The Russian team combines three groups working together for a long time. The Kazan group will use quantum chemical methods to predict catalytically active centers, and to calculate electron transfer rates. Using this information as an input, Moscow group will synthesize 3d-metal (Mn, Fe, Co and Ni) simple and complex nano-oxides and hydroxides by chemical methods. To better understand the role of defects, the Novosibirsk group will prepare long-lived metastable oxide nanostructures by electrodeposition. The Belgian partner will apply advanced transmission electron microscopy methods in order to access detailed information on the structure, chemical composition, cation distribution and coordination of the oxide nanoparticles in 2D and 3D. The French partner will investigate the electrochemical and electrocatalytic properties of the oxide nanoparticles, and develop kinetic models allowing to retrieve kinetic rate constants and adsorbate coverages, and provide feedback for further improvement of quantum chemical models. Achieving a molecular level understanding will allow us to design advanced oxide nanomaterials with high catalytic activities both in the ORR and OER.

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Functionalisation of nanostructured semiconductor metal oxides for chemical sensing (FONSENS). 01/10/2015 - 30/09/2018

Abstract

The objective of FONSENS is to develop breakthrough technologies in gas sensing that will provide higher sensitivity and superior selectivity at reduced cost and power consumption. This objective will be pursued by integrating complementary skills of EU and Russian groups. The main strategy in FONSENS for achieving enhanced sensor performances is to develop new nanostructured materials, which will allow control of concentration of active centers over a broad range for selective detection of toxic gases of different nature. The development of new generation of gas sensing materials will be supported by computational modeling with ab initio DFT calculations and a wide range of high resolution morphological and physico-chemical characterization techniques including (scanning) transmission electron microscopy and electron diffraction.

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Electron microscopy for materials research (NANOcenter). 01/01/2015 - 31/12/2020

Abstract

This project represents a research contract awarded by the University of Antwerp. The supervisor provides the Antwerp University research mentioned in the title of the project under the conditions stipulated by the university.

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Development of the prototype device for generation of electron vortex beams. 01/11/2013 - 31/10/2014

Abstract

The project aims at developing a prototype device for generation of vortex electron beams (VEBs). VEBs enable probing magnetic state of matter down to atomic scale, manipulate nanoparticles or determine chirality of crystals. The major valorization tracks are seen as licensing production of VEB-generating devices and through bilateral contractual research with the industrial parties in Flanders and abroad.

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Mechanical properties and chemical bonding at the interfaces in polymer-based composite materials (InterPoCo). 01/03/2013 - 28/02/2017

Abstract

The main goals of the SB01 project "Mechanical properties and chemical bonding at the interfaces in polymer-based composite materiais" (InterPoCo) within the H-INT-S program are to (i) develop and apply a set of experimental and computational tools for comprehensive structural, compositional and quantitative mechanical characterisation of the interfaces in polymer-based composites at na no- and microscale level, (ii) to measure and predict structural, electronical, compositional, thermodynamica I and mechanical properties of bulk polymers and interfaces in polymer-based composites, (iii) to validate and improve the prediction reliability by emphasizing the interplay between modelling and experimental data obtained using a high-throughput approach and advanced characterisation results and (iv) to provide currently unavailable information on the above aspects to the running and future vertical SIBO programs.

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Optimising the photoluminescence in scheelite-based materials through the incommensurate modulation of the cations. 01/01/2011 - 31/12/2014

Abstract

We will study the structure and optical properties of suitable new and old incommensurate scheelite based structures to determine this relation and optimize the optical properties by achieving the optimal cation arrangement.

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01/07/2003 - 31/12/2003

Abstract

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The local structure of low-dimensional magnetic transition metal oxides by HREM. 01/04/2001 - 31/12/2001

Abstract

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    Local structure of superconducting Cu-based oxyfluorides. 17/11/1997 - 16/11/1998

    Abstract

    A number of Cu-based high Tc materials allow the (partial) substitution of oxygen by fluorene. This generally alters the physical properties and very often also the structural properties. These structural properties are studied by electron microscopy.

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