The catalytic properties of tio 2 are discussed in comparison to expensive rutile. Prace support to mitigate impact of covid19 pandemic. Applications are evaluated within one week and start as soon as possible if awarded. This cited by count includes citations to the following articles in scholar. Abstract invited for the cover of this issue are the groups of prof. Nuria lopez group at the institute of chemical research of catalonia iciq to perform his phd thesis in theoretical heterogeneous catalysis. He says finding technological solutions that avoid the use. To understand such complex processes at the atomic level, we performed dft simulations and built wulff thermodynamic structures to model the impact of amino acids on gold nanoparticle morphology. Thanks for browsing the 2015 iciq scientific report. Eng lim goh is the vp and cto, hpc and ai at hewlett packard enterprise. This focus topic will provide a unique forum to expand the scope of atomic layer deposition ald and atomic layer etching ale processes towards understanding the fundamentals needed to achieve true atomic scale precision.
Nuria lopez a modeling perspective on green and sustainable chemistry 11. Nonredox doping boosts oxygen evolution electrocatalysis. Direct magnetic enhancement of electrocatalytic water. Public domain polyalcohols are widely used in the food industry.
Euchems conference on green and sustainable chemistry hosted in tarragona at the institute of chemical research of catalonia iciq during 2225 september 2019. Institute of chemical research of cataloniathe barcelona institute of science and technology iciqbist, avda. Nuria lopez of iciq institute of chemical research of catalonia, tarragona iciq read 256 publications. Entropic contributions enhance polarity compensation for. The simulations will encompass the study of the surface, the reaction networks and most likely reaction paths and the investigation of possible. The development of upscalable oxygen evolving electrocatalysts from earthabundant metals able to operate in neutral or acidic environments and low overpotentials remains a fundamental challenge for the realization of artificial photosynthesis. In september 2016 i committed to become the general director of the barcelona institute of science and technology bist for a oneyear term, to start the deployment of this young. One postdoc is available in the framework of the eu marie curie cofund programme in prof. Over the years, different strategies have been developed to tailor electrocatalyst surfaces but also to reduce the cost of these materials, which is the bottleneck for any practical application. Chirality transfer in gold nanoparticles by lcysteine amino. Shape control in concave metal nanoparticles by etching. The nmr unit when iciq started its activities 6 years ago, the first research support unit to take off was the nmr unit. Scientists propose a dynamic charge and oxidation state.
We use cookies to offer you a better experience, personalize content, tailor advertising, provide social media features, and better understand the use of our services. During this difficult time, chemistry world will be checking in with chemists around the globe to see how they are weathering the covid19 pandemic. Nuria lopez, iciq tarragona selective hydrogenation of pygas over nickel and palladium catalysts david jackson, glasgow centre for catalysis research closing session chairman. You can get more information or change the settings. Nuria lopez bscres meeting, santander september 2009 iciq at res. Materials, characterization, and catalysis workshop eth.
Suncat summer institute 2019 participants of the 2019 suncat summer institute in the panofsky auditorium at slac national accelerator laboratory jacqueline orrellslac. His current research interest is in the progression from data intensive computing to analytic, inductive machine learning, deductive reasoning and artificial specific to general intelligence. Scientists propose a dynamic charge and oxidation state for singleatom catalysts 5 august 2019 the results, published in nature materials, make the us. The oxygen evolution reaction oer is the major bottleneck to develop viable and costeffective water electrolysis, a key process in the production of renewable fuels. The development of rutheniumfree organic photosensitizers showing panchromatic absorption up to the nearinfrared nir region for application in dyesensitized solar cells dsscs is still scarce. Nitric oxide disproportionation at the siteisolated fe centers of the metal organic framework material known as femof5 has been explored with density functional theory dft. Hybrid palladium nanoparticles for direct hydrogen. This meeting follows previous successful editions held in budapest 20, lisbon 2015 and york 2017 and continues to offer a platform for the communication of. To optimize these compounds it is important to understand their electronic structure and thus establish robust structureactivity relationships. Microkinetics of alcohol reforming for h2 production from a. Nuria lopez is a spanish chemist who is professor of chemistry at the institute of chemical research of catalonia iciq. Nuria lopez iciq, spain will bring a perspective from the chemistry domain. Nuria lopez former chair of prace scientific steering committee, institute of chemical research of catalonia, iciq, the barcelona institute of science and technology, bist, spain.
Concerted chemoselective hydrogenation of acrolein on secondary phosphine oxide decorated gold nanoparticles neyvis almorabarrios, israel cano, piet w. This website uses cookies to facilitate user navigation. Donato fantauzzi, university of iceland, iceland 10. Microkinetics of alcohol reforming for h 2 production from a. In this study, we report a highly active phase of heterobimetallic cyanidebridged electrocatalysts able to promote water oxidation. Apr 17, 2014 nuria lopez, institute of chemical research of catalonia, iciq, av. Magnetic enhancement water splitting magnet enhancing catalytic reaction second 40. The work will consist on the detailed identification of the reaction routes able to convert co2 into useful products. She is an icrea catalan institution for research and advanced studies professor at pompeu fabra university and she also leads the biomedical genomics research group at the institute for research in biomedicine in. Paisos catalans 16, 43007 tarragona spain javier perez. Developments in the atomistic modelling of catalytic processes for. Methanol decomposition on metals has been subject of several theoretical studies, usually concentrating on a particular set of reactions in the main reaction path.
The validity of the computed reaction mechanism is bolstered by. Enhanced activity and acid ph stability of prussian blue. Sinead ryan trinity college dublin and nuria lopez iciq. This community is not edited and does not necessarily reflect the views of nature research. In this work, we present an extensive study that considers all potential elementary steps for four closepacked surfaces including cu, ru, pt, and pd that shows the different behaviors and alternative routes through. Prussian blue and its related compounds are formed by cheap and abundant metals and have shown their importance in the generation of new fuels by renewable sources. Concerted chemoselective hydrogenation of acrolein on. The iciq together with five other research centres crg, irb barcelona, icfo, icn2 and ifae set up bist to promote joint. Iciq institute of chemical research of catalonia overview.
Herein, we report a facile and controllable method to fabricate a series of codoped nickel phosphides and their corresponding nanohybrids wi. Nuria lopez phd iciq institute of chemical research of. The simplicity of the discovery opens new opportunities to. Franziska hegner doctor of philosophy iciq institute. If your server doesnt have a name apart from an ip address, leave name field blank.
In a paper published in nature energy, scientists from iciqs galanmascaros and lopez groups describe how, for the first time, a magnet has been used to directly enhance the production of hydrogen in alkaline water splitting via electrolysis. Scientists propose a dynamic charge and oxidation state for. Microkinetics of alcohol reforming for h 2 production from. Wrap up of an inspiring eurohpc summit week 2019 european.
Iciq phd fellowship in the framework of a mobility programme with the henryk niewodniczanski institute of. Nuria lopez group at iciq phd position in chemistry theoretical simulations for materials, spain 2015 dolpages august 29, 2015 uncategorized. Nathan daelman, phd student under the supervision of prof. An unexpected push for the hydrogen economy 10 june 2019, by iciq graphical conceptualisation of the magnetic enhancement of water splitting. The largescale production of hydrogen from biomass under industrial conditions is fundamental for a sustainable future. A database of the structural and electronic properties of. Corresponding authors a institute of chemical research of catalonia, iciq, the barcelona institute of science and technology, av. The avs 67 program will feature for the second time, the atomic scale processing focus topic. Nuria lopez graduated in chemistry 1999 and got her ph. Among the sensitizers with absorption beyond 700 nm and developed for dsscs, only zincphthalocyanine and boro. The barcelona institute of science and technology, institute of chemical research of catalonia iciq, av. Polar terminations are crucial to control the properties of surfaces, but they are intrinsically unstable. Mindiola university of pennsylvania usa metalligand multiple bonds and some catalytic prospects involving the. N lopez, tvw janssens, bs clausen, y xu, m mavrikakis, t bligaard.
Scientific data includes the open source platform as recommended data repository. Fe2o3, would be an ideal oer catalyst in alkaline media due to its abundance and easy processing. Nuria lopez group, iciqs theoretical heterogeneous catalysis group, focuses on the use of atomistic simulations to understand the mechanisms that govern chemical processes in heterogeneous catalysis. Solar water splitting by photovoltaicelectrolysis with a solartohydrogen efficiency over 30%. Weg 1, 8093 zurich switzerland search for more papers by this author. She was awarded the spanish royal society of chemistry prize for excellence in 2015. Sep 11, 20 silver nanoparticles for olefin production.
Wrap up of an inspiring eurohpc summit week 2019 friday, may 24, 2019 the eurohpc summit week 2019 closed successfully and gathered the main hpc stakeholders from may to 17 may 2019 in poznan, poland. Nature research makes no representations, warranties or guarantees, whether express or implied, that the content on this community is accurate, complete or up to date, and to the fullest extent permitted by law all liability is excluded. Electrocatalytic properties of materials are governed by the electronic structure, stability, and reactivity of the surface layer which is exposed to the electrolyte. Nolan left iciq in the same year, shortly after receiving an erc advanced grant, to take a position as professor at the university of st. We got the first 400 mhz by aprilmay 2004 and we had to put it in a provisional spot until this lab was finished. The identification of active, stable, and abundant materials for bromine production is key to the future implementation of br 2. The development of highefficiency and lowcost catalysts for hydrogen release from chemical hydrogenstorage materials is essential for the hydrogeneconomy paradigm. Modelling and mapping pathways of electrochemical co2 reduction.
An unexpected push for the hydrogen economy for the first time, scientists have applied a magnetic field that directly enhanced the production of hydrogen via water splitting. The ones marked may be different from the article in the profile. New insights into the mechanistic description of propyne hydrogenation gianvito vile department of chemistry and applied biosciences, institute for chemical and bioengineering, eth zurich, wolfgang. Ensemble design in nickel phosphide catalysts for alkyne semi. Nuria lopez of iciq institute of chemical research of catalonia, tarragona iciq read 248 publications contact nuria lopez. Soon the institute started growing, and the selected preferential recruiting pathway was the iciq tenure track programme, where emphasis was put on hiring young brilliant researchers. Pdf developments in the atomistic modelling of catalytic. Truxene derivatives, due to their molecular structure and properties, are good candidates for the passivation of defects when deposited onto hybrid lead halide perovskite thin films. May, 2019 the use of chiral organic ligands during nanoparticle synthesis is key to designing optically active materials for biological and catalytic applications. Here we present a multiscale study of the available reforming technologies. The computed reaction sequence supports the mechanism suggested by experiment that involves the formation of the monoanionic hyponitrite radical. Modelling the shape and properties of gold nanoparticles.
Boosting photoelectrochemical water oxidation of hematite. Entropic configurational contributions are now demonstrated to have a predominant role in. Ramirez, institute for chemical and bioengineering, department of chemistry and applied biosciences, eth zurich, vladimir. Lopez group at the iciq institute of chemical research of catalonia tarragona, spain. Cheaper and more sustainable sweeteners 7 december 2016 bags of a popular sweetener.
Catalytic testing demonstrated that the selectivity increases with the hhdma ligand content from 10 % for naked nanoparticles up to 80 %, rivalling that obtained with. Minteer theuniversity of utah cristina nevado university of zurich chris nicholas honeywell uop eranda nikolla wayne state university unni olsbye university of oslo umit ozkan. Jul 31, 2015 nuria lopez, institute of chemical research of catalonia iciq, av. Researchers at iciq present a study in nature materials. The institute of chemical research in catalonia iciq, spain, closed in midmarch due to the covid19 pandemic. Kaiser metaldependant structureactivity relations in acetylene hydrochlorination 11. Interplay between surface chemistry and performance of rutiletype. Feb 05, 2019 tang, pengyi and han, lijuan and hegner, franziska simone and paciok, paul and bisetpeiro, marti and du, hongchu and wei, xiankui and jin, lei and xie, haibing and shi, qin and andreu, teresa and liracantu, monica and heggen, marc and duninborkowski, rafal e. Final approval by jr galanmascaros iciq executive summary this document, d6. The analysis of reaction networks, activity and selectivity issues and the final tests on the.