AbstractThe 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.
AbstractUnitized 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.
AbstractThe 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.
AbstractThis 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.
- Promotor: Bals Sara
- Co-promotor: Partoens Bart
- Fellow: Abakumov Artem
- Fellow: Neirinckx Alexander
- Fellow: Pfannmöller Martin
- Fellow: Pourbabak Saeid