CADICAT connects collaborators form all around the world, merging excellent experties in organic chemistry, material science, catalysis, calculations, photochemistry and electrochemistry.
Associate Professor, CADIAC, Aarhus Univeristy
Nina has a strong background in synthesis and characterization of nanoporous materials (including MOFs). She is developing novel organic-inorganic hybrid materials with heterogeneous and photocatalytic properties to be applied in CO2 reduction and conversion
- Light-tuned selective photosynthesis of azo- and azoxy-aromatics using graphitic C3N4. Yitao Dai, Chao Li, Yanbin Shen, Tingbin Lim, Jian Xu, Yongwang Li, Hans Niemantsverdriet, Flemming Besenbacher, Nina Lock & Ren Su. Nature Communications.9, Article number: 60 (2018).
- Light absorption engineering of a hybrid (Sn3S72-)(n) based semiconductor – from violet to red light absorption. Mathias Salomon Hvid, Paolo Lamagni & Nina Lock. Scientific Reports 7, Article number: 45822 (2017)
- Graphene inclusion controlling conductivity and gas sorption of metal–organic framework. Paolo Lamagni,a Birgitte Lodberg Pedersen,a Anita Godiksen,b Susanne Mossin,b Xin-Ming Hu,a Steen Uttrup Pedersen,a Kim Daasbjerga and Nina Lock*a RSC Adv., 2018,8, 13921-13932
CADIAC, Aarhus Univeristy
Xinming Hu has interdisciplinary education and research background in environmental science, chemistry, and materials science. His expertise involves the design and synthesis of functional building blocks, preparation of porous carbons and polymers, gas adsorption, and electrocatalytic CO2 conversion.
- Selective CO2 reduction to CO in water using Earth-abundant metal and nitrogen-doped carbon electrocatalysts. Xin-Ming Hu, Halvor Høen Hval, Emil Tveden Bjerglund, Kirstine Junker Dalgaard, Monica Rohde Madsen, Marga-Martina Pohl, Edmund Welter, Paolo Lamagni, Kristian Birk Buhl, Martin Bremholm, Matthias Beller, Steen U. Pedersen, Troels Skrydstrup, Kim Daasbjerg. ACS Catalysis 2018, 8, 6255−6264.
- Enhanced catalytic activity of cobalt porphyrin in CO2 electroreduction upon immobilization on carbon materials. Xin-Ming Hu, Magnus H. Rønne, Steen U. Pedersen, Troels Skrydstrup, Kim Daasbjerg. Angewandte Chemie International Edition 2017, 56, 6468–6472.
- Controlled electropolymerisation of a carbazole-functionalised iron porphyrin electrocatalyst for CO2 reduction. Xin-Ming Hu, Zakaria Salmi, Mie Lillethorup, Emil B. Pedersen, Marc Robert, Steen U. Pedersen, Troels Skrydstrup, Kim Daasbjerg. Chemical Communications 2016, 52, 5864-5867.
CADIAC, Aarhus Univeristy
Kim Daasbjerg’s expertise includes the development of surface modification tools as applied to the study of polymer brushes, responsive polymers, coatings, smart hybrid materials and composites involving in one or the other way carbon based substrates. Development of graphene production and its functionalization to exploit extraordinary properties of this carbon allotrope in materials science. Finally, the combined expertise in electrochemistry, modification of surfaces, polymer brushes, and carbon materials is employed to meet a scientifically difficult challenge of great societal importance in terms of converting the greenhouse gas, carbon dioxide, to useful building blocks for the chemical industry or the energy sector.
- Enhanced Catalytic Activity of Cobalt Porphyrin in CO2 Electroreduction upon Immobilization on Carbon Materials. Hu, Xinming; Ronne, Magnus H.; Pedersen, Steen U.; Skrydstrup, Troels; Daasbjerg, Kim. Angewandte Chemie (International Edition), Vol. 56, No. 23, 2017, p. 6468-6472.
- Graphene oxide-mediated rapid dechlorination of carbon tetrachloride by green rust. Huang, Li-Zhi; Hansen, Hans Christian B.; Daasbjerg, Kim. Journal of Hazardous Materials, Vol. 323, No. part B, 2017, p. 690-697.
- Efficient Graphene Production by Combined Bipolar Electrochemical Intercalation and High-Shear Exfoliation. Bjerglund, Emil; Kristensen, Michael Ellevang Pagh; Stambula, Samantha; Botton, Gianluigi; Pedersen, Steen Uttrup; Daasbjerg, Kim. ACS Omega, Vol. 2, No. 10, 2017, p. 6492-6499.
CADIAC, Aarhus Univerisity
Troels Skrydstrup is head of the centre of excellence “Carbon Dioxide Activation Centre (CADIAC)”. He focuses on the development of new synthetic methods, transition metal catalyzed reactions, synthesis with single electron reducing agents and synthesis of peptide analogs. The group interest has greatly expanded towards using CO and CO2 as useful building blocks for important compounds used on an industrial scale.
- Scalable carbon dioxide electroreduction coupled to carbonylation chemistry. Jensen , Mikkel T. ; Rønne, Magnus Haugaard; Ravn, Anne Katrine; Juhl, Rene W. ; Nielsen, Dennis Ulsøe; Hu, Xinming; Pedersen, Steen Uttrup; Daasbjerg, Kim; Skrydstrup, Troels. Nature Communications, Vol. 8, 489, 2017.
- Cooperative redox activation for carbon dioxide conversion. Lian, Zhong; Nielsen, Dennis U.; Lindhardt, Anders T.; Daasbjerg, Kim; Skrydstrup, Troels. Nature Communications, Vol. 7, 13782, 2016.
Kathrin Helen Hopmann
CHOCO, Arctic Univeristy of Norway
The group of Kathrin Hopmann is applying experimental organic chemistry and theoretical quantum chemistry tools in the investigation and development of selective organometallic catalysts. Current research projects involve computational studies of enzymatic activity (site.uit.no/marval) and experimental and theoretical studies of transition metal-catalyzed processes (deFACTO, www.hylleraas.no), including conversion of CO2 to higher value products (site.uit.no/choco, site.uit.no/nordco2, site.uit.no/iccu).
CHOCO (Catalysts for Homogeneous conversion of CO2, site.uit.no/choco) is a research team headed by leader Dr. Kathrin H. Hopmann and Co-leader Dr. Annette Bayer that combines computational and experimental approaches to develop novel catalysts for chemical conversion of CO2 into other molecules. The main focus is on homogeneous catalysis, but also biocatalytic approaches are explored.
- Rhodium-Catalyzed Hydrocarboxylation: Mechanistic Analysis Reveals Unusual Transition State for Carbon–Carbon Bond Formation. Ljiljana Pavlovic, Janakiram Vaitla, Annette Bayer, Kathrin H. Hopmann. Rhodium-Catalyzed Hydrocarboxylation: Mechanistic Analysis Reveals Unusual Transition State for Carbon–Carbon Bond Formation. Organometallics 2018. 37 (6), pp 941–948
- Carbon-carbon bonds with CO2: Insights from computational studies. Marc Ferry Obst, Ljiljana Pavlovic, Kathrin Helen Hopmann. Journal of Organometallic Chemistry, volume 37, 2018.
CHOCO, Arctic Univeristy of Norway
Her research focus on sustainable development by synthesis and catalysis. She uses sustainable resources like natural products and carbon dioxide to solve important challenges to modern society like antimicrobial resistance and the development of a society independent of fossil resources.
- Enantioselective Incorporation of CO2: Status and Potential. Janakiram Vaitla, Yngve Guttormsen, Jere K. Mannisto, Ainara Nova, Timo Repo, Annette Bayer*, and Kathrin H. Hopmann*. ACS Catalysis 2017, 7, 7231–7244.
Department of Chemistry, University of Copenhagen
His research touches a variety of topics: CO2 capturing and its catalytic functionalization towards valuable products, desalination of with smart materials, organic porous polymers, and membrane systems. He develops the use of heterogeneous solid materials [metal-organic frameworks (MOF), inorganic metal nanoparticles, functionalized polymers, in combination with high-performance organo- and organometallic catalysts] for many real-world applications for organic reactions. The group is also focused on the development of unprecedented asymmetric catalytic protocols and methodology development including fluorination of organic compounds for agrochemical and pharmaceutical applications.
- Organotextile Catalysis. Ji-Woong Lee, Thomas Mayer-Gall, Klaus Opwis, Choong Eui Song, Jochen Stefan Gutmann, Benjamin List. Science, 13 Sep 2013, 341, 1225-1229.
- Responsive Nanoparticles that Self-Assemble under the Simultaneous Action of Light and CO2. Ji-Woong Lee, R. Klajn. Chem. Commun. 2015, 51, 2036-2039.
- Asymmetric Cation-Binding Catalysis. T. Oliveira, Ji-Woong Lee. ChemCatChem 2017, 9, 377-384
- A Microporous Amic Acid Polymer for Enhanced Ammonia Capture. Ji-Woong Lee, G. Barin, G. W. Peterson, J. Xu, K. A. Colwell, J. R. Long. ACS Appl. Mater. Interfaces, 2017, 9, 33504-33510.
Mu-Hyun Baik (Mookie)
Department of Chemistry, KAIST
He is interested in understanding how organometallic catalysts work and exploit the knowledge to design new useful reactions. Specifically, he develops realistic computer models to study complex chemical reactions as C-H activation catalysis ( Rh, Ir, Ru, Fe, Co systems), chemo-, regio- and stereoselectivity control of carbocyclizations, the impacts of redox non-innocence in chemical reactivity, CO2 reduction and H2O oxidation catalyses and automated discovery methods.
- Computer-Aided Rational Design of Fe(III)-Catalysts for the Selective Formation of Cyclic Carbonate from CO2 and Internal Epoxides. Indranil Sinha, Yuseop Lee, Choongman Bae, Samat Tussupbayev, Yujin Lee, Min-Seob Seo, Jin Kim, Mu-Hyun Baik, Yunho Lee, and Hyunwoo Kim, Sci. Tech.2017, 7, 4375-4387.
- Intramolecular ring-opening from a CO2-derived nucleophile as the origin of selectivity for 5-substituted oxazolidinone from the (salen)Cr-catalyzed [Aziridine + CO2] coupling. Debashis Adhikari, Aaron W. Miller, Mu-Hyun Baik and SonBinh T. Nguyen, Sci. 2015, 6, 1293-1300.
- Cis,cis–[(bpy)2RuVO]2O4+ Catalyzes Water Oxidation formally via in situ Generation of Radicaloid RuIV–O•. Xiaofan Yang and Mu-Hyun Baik, Am. Chem. Soc. 2006, 128, 7476–7485.
- Catalytic Borylation of Methane. Kyle T. Smith, Simon Berritt, Mariano Gonzalez, Seihwan Ahn, Milton R. Smith III, Mu-Hyun Baik and Daniel J. Mindiola, Science 2016, 351, 1424-1427.
Laboratoire d’electrochimie molèculaire, Université Paris Diderot
His research aim at the general understanding of all aspects of electron transfer chemistry coupled to molecular changes such as proton coupled electron transfer (PCET) or bond cleavage or bond formation through the synergistic use of experimental electrochemical studies, photochemical studies, and of theoretical descriptions of the mechanistic models. He is investigating the electrochemical activation by metal complexes of small molecules such as H2, O2, H2O, CO2. For all of these reactions, the coupling of electron and proton transfers is likely to play a crucial role, both in terms of mechanism, efficiency, and products distribution.
- Visible-light-driven methane formation from CO2 with an iron complex. Heng Rao, Luciana C Schmidt, Julien Bonin and Marc Robert, Nature, 48 (2017).
- Through-space charge interaction substituent effects in molecular catalysis leading to the design of the most efficient catalyst of CO2-to-CO electrochemical conversion. Iban Azcarate, Cyrille Costentin, Marc Robert, and Jean-Michel Savéant, J. Am. Chem. Soc., 138 (2016) 16639-16644.
- Highly efficient and selective photocatalytic CO2 reduction by iron and cobalt quaterpyridine complexes. Z. Guo, S. Cheng, C. Cometto, E. Anxolabéhère-Mallart, S-M. Ng, C-C. Ko, G. Liu, L. Chen, M. Robert, T.-C. Lau, J. Am. Chem. Soc., 138 (2016) 9413-9416.
- Efficient electrolyzer for CO2 splitting in neutral water using earth-abundant materials. A. Tatin, C. Cominges, B. Kokoh, C. Costentin, M. Robert, and J.-M. Savéant, Proc. Natl. Acad. Sci. USA, 48 (2016) 5526-5529.
- Current issues in molecular catalysis illustrated by iron porphyrins as catalysts of the CO2-to-CO electrochemical conversion. Cyrille Costentin, Marc Robert, and Jean-Michel Savéant, Acc. Chem. Res, 48 (2015) 2996-3006.
Applied homogenous catalysis department, LIKAT
Head of the department of applied homogeneous catalysis (LIKAT), He focuses on the development of new, environmentally benign catalysts and synthetic protocols as well as their application in industry with the aim to transfer the results from model studies and mechanistic investigations to specific chemical products or processes. His research reaches various topics: palladium-catalyzed cross-coupling reactions of aryl halides, (enantio) selective oxidations, application of catalysts for the synthesis of biologically active agents as well as catalytic carbonylations, catalytic epoxidations and aminations. The department comprehends the groups of Organic Bulk Chemicals (Dr. Ralf Jackstell),Transition Metal-Catalyzed Synthesis of Fine Chemicals (Dr. Helfried Neumann), Redox reactions (Dr. Kathrin Junge), Theory of Catalysis (Dr. habil. Haijun Jiao), Catalysis for Energy (Dr. Henrik Junge). Ultimately, the attention to heterogeneous catalysis is growing as a more cost effective, efficient and green approach in all the listed topics and leads to the development of heterogeneous photochemical and electrochemical catalyst using abundant, cheap and green sources.
Catalysis for enegy, LIKAT
Henrik Junge is group leader “Catalysis for Energy” at LIKAT. His main interests are the development of technologies allowing for the chemical application and storage of fluctuating energies (wind and sun) which are becoming essential due to their increasing role in the sufficient and sustainable energy supply. Besides the generation of hydrogen, also carbon based, energy rich materials and industrially relevant intermediates like carbon monoxide, formic acid, methanol and methane are in the focus. These can be synthesized by an “artificial photosynthesis” utilizing carbon dioxide, are suitable for long term storage and compatible with the already existing infrastructure. The relevant techniques include classical hydrogenation/dehydrogenation as well as photocatalytic and electrocatalytic reactions, whereas the catalyst development includes molecularly defined organometallic complexes and tailor made heterogeneous materials.
- Towards the Development of a Hydrogen Battery. Boddien, C. Federsel, P. Sponholz, D. Mellmann, R. Jackstell, H. Junge, G. Laurenczy, M. Beller, Energy & Environmental Science 2012, 5, 8907-8911.
- Low-temperature aqueous-phase methanol dehydrogenation to hydrogen and carbon dioxide. Nielsen, E. Alberico, W. Baumann, H.-J. Drexler, H. Junge, S. Gladiali, M. Beller, Nature 2013; 495, 85-90.
- Earth-abundant photocatalytic systems for the visible-light-driven reduction of CO2 to CO. Rosas-Hernández, C. Steinlechner, H. Junge, M. Beller, Green Chem. 2017, 19, 2356-2360.
- Cyclopentadienone iron complexes as efficient and selective catalysts for the electroreduction of CO2 to CO. Rosas-Hernández, H. Junge, M. Beller, M. Roemelt, R. Francke, Catal. Sci. Technol. 2017, 7, 459-465.
- A Stable Nano-Cobalt Catalyst for Selective Dehydrogenation of Formic Acid with Highly Dispersed CoNx Active Sites. Tan, A.-E. Surkus, F. Chen, M.-M. Pohl, G. Agostini, M. Schneider, H. Junge, M. Beller, Angew. Chem. 2017, 129, 16843-16847, Angew. Chem. Int. Ed. 2017, 56, 16616-16620.
Catalysis for enegy, LIKAT
Annette-Enrica Surkus has experiences in the use of electrochemistry to study reactions, identify mechanisms, characterize catalytically active materials, and in the development of sensors. In recent years, her research has focused on energy-related topics, such fuel cells (e.g. ORR), alkaline and acidic water electrolysis (HER, OER) and electrochemical CO2 reduction (eCRR). Her expertise comprises also the development of novel suitable heterogeneous materials for these electrochemical applications.
- Impact of the Co : Cu Ratio in CoCu-containing Oxidic Solids on their Activity for the Water-Splitting Reaction. Polyakov, A.-E. Surkus, A. Maljusch, S. Hoch, A. Martin, ChemElectroChem 2017, 4, 2109-2116.
- From the Precursor to the Active State: Monitoring Metamorphosis of Electrocatalysts During Water Oxidation by In Situ Spectroscopy. Hollmann, N. Rockstroh, K. Grabow, U. Bentrup, J. Rabeah, M. Polyakov, A.-E. Surkus, W. Schuhmann, S. Hoch, A. Brückner, ChemElectroChem, 2017, 4, 2117-2122.
- Cobalt-based nanocatalysts for green oxidation and hydrogenation processes. V. Jagadeesh, T. Stemmler, A.-E. Surkus, M. Bauer, M.-M. Pohl, J. Radnik, K. Junge, H. Junge, A. Brückner, M. Beller, Nature Protocols, 2015, 10, 916-926.
- Nanoscale Fe2O3-based catalysts for selective hydrogenation of nitroarenes to anilines. V. Jagadeesh, A.-E. Surkus, H. Junge, M.-M. Pohl, J. Radnik, J. Rabeah, H. Huan, V. Schünemann, A. Brückner, M. Beller, Science 2013, 342, 1073-6.
Martin Prechtl is a Professor of Chemistry at Roskilde University. His group develops molecular and nanoscale metal catalysts for application in (de)hydrogenation reactions.
Based on his achievements about C1-molecule activation he works on activation for the conversion of formaldehyde, formic acid, MeOH and CO2. He received several recognitions, among those he is a FRSC and a Humboldt-Fellow and he holds the Ernst-Haage-Prize 2014 of the Max-Planck Institute for Chemical Energy Conversion for his achievements on formaldehyde reforming.
He published the book “Nanocatalysis in Ionic Liquids” as editor for Wiley, and authored more than 60 articles and book chapters, holds two patents on formaldehyde and gave over 130 oral presentations on conferences or as invited lecture at research institutions.
Before Roskilde he performed research in Wuppertal, Bridgetown, São Paulo, Aachen (PhD awarded in 2007), Mülheim/Ruhr (PhD), Porto Alegre (postdoc: 2007-2010), Berlin (postdoc: 2010) and Cologne (Venia Legendi for Inorganic Chemistry awarded in 2015).
He enjoys outdoor activities, sports, poetry, cooking, and studying Scandinavian and Romance languages and their derivatives like Mirandese, Papiamento, Talian or Bajan.
Università degli Studi di Palermo
Onofrio Scialdone’s expertise includes the development of electrochemical methods for the synthesis of fine chemicals, the treatment of wastewater and the generation of energy. In particular, he was involved in the investigation of several approaches for wastewater treatment including direct and indirect anodic oxidation, electro-Fenton, abatement by electro-generated active chlorine and coupled approaches. In the frame of the synthesis of chemicals he focused his attention mainly on the electrochemical conversion of carbon dioxide to formic acid and carbon monoxide, on electro-carboxylation processes and on the synthesis and modification of polymers. He worked with various kind of reactors including microfluidic and pressurized ones. His expertise includes also the generation of electric energy by reverse electrodialysis using salinity gradients and the study of various kinds of chemical reactions helped by pressurized fluids.
- Single and Coupled Electrochemical Processes and Reactors for the Abatement of Organic Water Pollutants: A Critical Review. Martínez-Huitle, C.A., Rodrigo, M.A., Sirés, I., Scialdone, (2009) O. Chemical Reviews, 115 (24), pp. 13362-13407.
- Electrochemical reduction of carbon dioxide to formic acid at a tin cathode in divided and undivided cells: Effect of carbon dioxide pressure and other operating parameters Scialdone, O., Galia, A., Nero, G.L., Proietto, F., Sabatino, S., Schiavo, B. (2016) Electrochimica Acta, 199, pp. 332-341.
- Reverse electrodialysis performed at pilot plant scale: Evaluation of redox processes and simultaneous generation of electric energy and treatment of wastewater. D’Angelo, A., Tedesco, M., Cipollina, A., Galia, A., Micale, G., Scialdone, O. (2017) Water Research, 125, pp. 123-131.