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DEFect NETwork materials science and engineering

Deliverables

Supervisory Board of the network

Each programme should have a clearly identified supervisory board co-ordinating network-wide training and establishing active and continuous communication and exchange of best practice among the partners to maximise the benefits of the partnership.

Scientific Presentations at Int. conferences (oral + poster)

Presentations of scientific results by ESRs at international conferences and dissemination activities

Scientific Publications in Peer reviewed journals

Publications and Dissemination Activities

DEFNET Kick-off and web page launching activities

Short report on the kick-off meeting and the DEFNET network launching activities

ESR led activities: Networking and Doctoral Symposium

Short Report on ESR networking and Doctoral Symposium

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Publications

Defective Metal-Organic Frameworks

Author(s): Stefano Dissegna, Konstantin Epp, Werner R. Heinz, Gregor Kieslich, Roland A. Fischer
Published in: Advanced Materials, 2018, Page(s) 1704501, ISSN 0935-9648
DOI: 10.1002/adma.201704501

Using water adsorption measurements to access the chemistry of defects in the metal–organic framework UiO-66

Author(s): Stefano Dissegna, Rifan Hardian, Konstantin Epp, Gregor Kieslich, Marie-Vanessa Coulet, Philip Llewellyn, Roland A. Fischer
Published in: CrystEngComm, Issue 19/29, 2017, Page(s) 4137-4141, ISSN 1466-8033
DOI: 10.1039/c7ce00224f

Encapsulation of Bimetallic Metal Nanoparticles into Robust Zirconium-Based Metal-Organic Frameworks: Evaluation of the Catalytic Potential for Size-Selective Hydrogenation

Author(s): Christoph Rösler, Stefano Dissegna, Victor L. Rechac, Max Kauer, Penghu Guo, Stuart Turner, Kevin Ollegott, Hirokazu Kobayashi, Tomokazu Yamamoto, Daniel Peeters, Yuemin Wang, Syo Matsumura, Gustaaf Van Tendeloo, Hiroshi Kitagawa, Martin Muhler, Francesc X. Llabrés i Xamena, Roland A. Fischer
Published in: Chemistry - A European Journal, Issue 23/15, 2017, Page(s) 3583-3594, ISSN 0947-6539
DOI: 10.1002/chem.201603984

Metal–organic and covalent organic frameworks as single-site catalysts

Author(s): S. M. J. Rogge, A. Bavykina, J. Hajek, H. Garcia, A. I. Olivos-Suarez, A. Sepúlveda-Escribano, A. Vimont, G. Clet, P. Bazin, F. Kapteijn, M. Daturi, E. V. Ramos-Fernandez, F. X. Llabrés i Xamena, V. Van Speybroeck, J. Gascon
Published in: Chemical Society Reviews, Issue 46/11, 2017, Page(s) 3134-3184, ISSN 0306-0012
DOI: 10.1039/C7CS00033B

Uniaxial negative thermal expansion and metallophilicity in Cu 3 [Co(CN) 6 ]

Author(s): A.F. Sapnik, X. Liu, H.L.B. Boström, C.S. Coates, A.R. Overy, E.M. Reynolds, A. Tkatchenko, A.L. Goodwin
Published in: Journal of Solid State Chemistry, Issue 258, 2018, Page(s) 298-306, ISSN 0022-4596
DOI: 10.1016/j.jssc.2017.10.009

Base free transfer hydrogenation using a covalent triazine framework based catalyst

Author(s): A. V. Bavykina, H.-H. Mautscke, M. Makkee, F. Kapteijn, J. Gascon, F. X. Llabrés i Xamena
Published in: CrystEngComm, Issue 19/29, 2017, Page(s) 4166-4170, ISSN 1466-8033
DOI: 10.1039/c7ce00561j

Increasing the availability of active sites in Zn-Co double metal cyanides by dispersion onto a SiO 2 support

Author(s): Carlos Marquez, Miguel Rivera-Torrente, Pasi P. Paalanen, Bert M. Weckhuysen, Francisco G. Cirujano, Dirk De Vos, Trees De Baerdemaeker
Published in: Journal of Catalysis, Issue 354, 2017, Page(s) 92-99, ISSN 0021-9517
DOI: 10.1016/j.jcat.2017.08.008

On the intrinsic dynamic nature of the rigid UiO-66 metal–organic framework

Author(s): Julianna Hajek, Chiara Caratelli, Ruben Demuynck, Kristof De Wispelaere, Louis Vanduyfhuys, Michel Waroquier, Veronique Van Speybroeck
Published in: Chemical Science, Issue 9/10, 2018, Page(s) 2723-2732, ISSN 2041-6520
DOI: 10.1039/c7sc04947a

Control of Multipolar and Orbital Order in Perovskite-like [C(NH 2 ) 3 ]Cu x Cd 1– x (HCOO) 3 Metal–Organic Frameworks

Author(s): Nicole L. Evans, Peter M. M. Thygesen, Hanna L. B. Boström, Emily M. Reynolds, Ines E. Collings, Anthony E. Phillips, Andrew L. Goodwin
Published in: Journal of the American Chemical Society, Issue 138/30, 2016, Page(s) 9393-9396, ISSN 0002-7863
DOI: 10.1021/jacs.6b05208

Diastereoselective Synthesis of Pyranoquinolines on Zirconium-Containing UiO-66 Metal-Organic Frameworks

Author(s): Víctor L. Rechac, Francisco G. Cirujano, Avelino Corma, Francesc X. Llabrés i Xamena
Published in: European Journal of Inorganic Chemistry, Issue 2016/27, 2016, Page(s) 4512-4516, ISSN 1434-1948
DOI: 10.1002/ejic.201600372

Ruthenium Metal-Organic Frameworks with Different Defect Types: Influence on Porosity, Sorption, and Catalytic Properties

Author(s): Wenhua Zhang, Max Kauer, Olesia Halbherr, Konstantin Epp, Penghu Guo, Miguel I. Gonzalez, Dianne J. Xiao, Christian Wiktor, Francesc X. LIabrés i Xamena, Christof Wöll, Yuemin Wang, Martin Muhler, Roland A. Fischer
Published in: Chemistry - A European Journal, Issue 22/40, 2016, Page(s) 14297-14307, ISSN 0947-6539
DOI: 10.1002/chem.201602641

Anomalous Thermal Expansion and Luminescence Thermochromism in Silver(I) Dicyanamide

Author(s): Sarah A. Hodgson, Sarah J. Hunt, Thomas Just Sørensen, Amber L. Thompson, Emily M. Reynolds, Stephen Faulkner, Andrew L. Goodwin
Published in: European Journal of Inorganic Chemistry, Issue 2016/27, 2016, Page(s) 4378-4381, ISSN 1434-1948
DOI: 10.1002/ejic.201600246

Zr-Based MOF-808 as Meerwein–Ponndorf–Verley Reduction Catalyst for Challenging Carbonyl Compounds

Author(s): Eva Plessers, Guangxia Fu, Collin Tan, Dirk De Vos, Maarten Roeffaers
Published in: Catalysts, Issue 6/7, 2016, Page(s) 104, ISSN 2073-4344
DOI: 10.3390/catal6070104

Adsorption Contraction Mechanics: Understanding Breathing Energetics in Isoreticular Metal–Organic Frameworks

Author(s): Simon Krause, Jack D. Evans, Volodymyr Bon, Irena Senkovska, Sebastian Ehrling, Ulrich Stoeck, Pascal G. Yot, Paul Iacomi, Philip Llewellyn, Guillaume Maurin, François-Xavier Coudert, Stefan Kaskel
Published in: The Journal of Physical Chemistry C, Issue 122/33, 2018, Page(s) 19171-19179, ISSN 1932-7447
DOI: 10.1021/acs.jpcc.8b04549

Efficient and Selective Photocatalytic Oxidation of Benzylic Alcohols with Hybrid Organic–Inorganic Perovskite Materials

Author(s): Haowei Huang, Haifeng Yuan, Kris P. F. Janssen, Guillermo Solís-Fernández, Ying Wang, Collin Y. X. Tan, Dries Jonckheere, Elke Debroye, Jinlin Long, Jelle Hendrix, Johan Hofkens, Julian A. Steele, Maarten B. J. Roeffaers
Published in: ACS Energy Letters, Issue 3/4, 2018, Page(s) 755-759, ISSN 2380-8195
DOI: 10.1021/acsenergylett.8b00131

Catalytic properties of pristine and defect-engineered Zr-MOF-808 metal organic frameworks

Author(s): H.-H. Mautschke, F. Drache, I. Senkovska, S. Kaskel, F. X. Llabrés i Xamena
Published in: Catalysis Science & Technology, Issue 8/14, 2018, Page(s) 3610-3616, ISSN 2044-4753
DOI: 10.1039/c8cy00742j

Influence of a Confined Methanol Solvent on the Reactivity of Active Sites in UiO-66

Author(s): Chiara Caratelli, Julianna Hajek, Sven M. J. Rogge, Steven Vandenbrande, Evert Jan Meijer, Michel Waroquier, Veronique Van Speybroeck
Published in: ChemPhysChem, Issue 19/4, 2018, Page(s) 420-429, ISSN 1439-4235
DOI: 10.1002/cphc.201701109

Pd@UiO-66-Type MOFs Prepared by Chemical Vapor Infiltration as Shape-Selective Hydrogenation Catalysts

Author(s): Ignacio Luz, Christoph Rösler, Konstantin Epp, Francesc X. Llabrés i Xamena, Roland A. Fischer
Published in: European Journal of Inorganic Chemistry, Issue 2015/23, 2015, Page(s) 3904-3912, ISSN 1434-1948
DOI: 10.1002/ejic.201500299

Anion Exchange and Catalytic Functionalization of the Zirconium-Based Metal–Organic Framework DUT-67

Author(s): Franziska Drache, Francisco G. Cirujano, Khoa D. Nguyen, Volodymyr Bon, Irena Senkovska, Francesc X. Llabrés i Xamena, Stefan Kaskel
Published in: Crystal Growth & Design, Issue 18/9, 2018, Page(s) 5492-5500, ISSN 1528-7483
DOI: 10.1021/acs.cgd.8b00832

Compositional nanodomain formation in hybrid formate perovskites

Author(s): Edwina A. Donlan, Hanna L. B. Boström, Harry S. Geddes, Emily M. Reynolds, Andrew L. Goodwin
Published in: Chem. Commun., Issue 53/81, 2017, Page(s) 11233-11236, ISSN 1359-7345
DOI: 10.1039/c7cc06928f

Impact of Synthesis Parameters on the Formation of Defects in HKUST-1

Author(s): Wenhua Zhang, Max Kauer, Penghu Guo, Sebastian Kunze, Stefan Cwik, Martin Muhler, Yuemin Wang, Konstantin Epp, Gregor Kieslich, Roland A. Fischer
Published in: European Journal of Inorganic Chemistry, Issue 2017/5, 2017, Page(s) 925-931, ISSN 1434-1948
DOI: 10.1002/ejic.201601239

Active Role of Methanol in Post-Synthetic Linker Exchange in the Metal–Organic Framework UiO-66

Author(s): Joao Marreiros, Chiara Caratelli, Julianna Hajek, Andraž Krajnc, Guillaume Fleury, Bart Bueken, Dirk E. De Vos, Gregor Mali, Maarten B. J. Roeffaers, Veronique Van Speybroeck, Rob Ameloot
Published in: Chemistry of Materials, Issue 31/4, 2019, Page(s) 1359-1369, ISSN 0897-4756
DOI: 10.1021/acs.chemmater.8b04734

Simultaneous introduction of various palladium active sites into MOF via one-pot synthesis: Pd@[Cu 3−x Pd x (BTC) 2 ] n

Author(s): Wenhua Zhang, Zhihao Chen, Majd Al-Naji, Penghu Guo, Stefan Cwik, Olesia Halbherr, Yuemin Wang, Martin Muhler, Nicole Wilde, Roger Gläser, Roland A. Fischer
Published in: Dalton Transactions, Issue 45/38, 2016, Page(s) 14883-14887, ISSN 1477-9226
DOI: 10.1039/c6dt02893d

Compositional inhomogeneity and tuneable thermal expansion in mixed-metal ZIF-8 analogues

Author(s): Adam F. Sapnik, Harry S. Geddes, Emily M. Reynolds, Hamish H.-M. Yeung, Andrew L. Goodwin
Published in: Chemical Communications, Issue 54/69, 2018, Page(s) 9651-9654, ISSN 1359-7345
DOI: 10.1039/c8cc04172e

Investigating the effect of alumina shaping on the sorption properties of promising metal–organic frameworks

Author(s): Paul Iacomi, U-Hwang Lee, Anil H. Valekar, Jong-San Chang, Philip L. Llewellyn
Published in: RSC Advances, Issue 9/13, 2019, Page(s) 7128-7135, ISSN 2046-2069
DOI: 10.1039/c9ra00534j

Metal‐Organic Frameworks as Catalyst Supports: Influence of Lattice Disorder on Metal Nanoparticle Formation

Author(s): Miguel Rivera‐Torrente, Matthias Filez, Rifan Hardian, Emily Reynolds, Beatriz Seoane, Marie‐Vanessa Coulet, Freddy E. Oropeza Palacio, Jan P. Hofmann, Roland A. Fischer, Andrew L. Goodwin, Philip L. Llewellyn, Bert M. Weckhuysen
Published in: Chemistry – A European Journal, Issue 24/29, 2018, Page(s) 7498-7506, ISSN 0947-6539
DOI: 10.1002/chem.201800694

Ethylene Polymerization over Metal–Organic Framework Crystallites and the Influence of Linkers on Their Fracturing Process

Author(s): Miguel Rivera-Torrente, Paul D. Pletcher, Maarten K. Jongkind, Nikolaos Nikolopoulos, Bert M. Weckhuysen
Published in: ACS Catalysis, Issue 9/4, 2019, Page(s) 3059-3069, ISSN 2155-5435
DOI: 10.1021/acscatal.9b00150

CuPd Mixed-Metal HKUST-1 as a Catalyst for Aerobic Alcohol Oxidation

Author(s): Penghu Guo, Christian Froese, Qi Fu, Yen-Ting Chen, Baoxiang Peng, Wolfgang Kleist, Roland A. Fischer, Martin Muhler, Yuemin Wang
Published in: The Journal of Physical Chemistry C, Issue 122/37, 2018, Page(s) 21433-21440, ISSN 1932-7447
DOI: 10.1021/acs.jpcc.8b05882

Highly Efficient Photocatalytic Degradation of Dyes by a Copper-Triazolate Metal-Organic Framework

Author(s): Chen-Xia Liu, Wen-Hua Zhang, Nan Wang, Penghu Guo, Martin Muhler, Yuemin Wang, Shiru Lin, Zhongfang Chen, Guang Yang
Published in: Chemistry - A European Journal, Issue 24/63, 2018, Page(s) 16804-16813, ISSN 0947-6539
DOI: 10.1002/chem.201803306

Tuning the Mechanical Response of Metal–Organic Frameworks by Defect Engineering

Author(s): Stefano Dissegna, Pia Vervoorts, Claire L. Hobday, Tina Düren, Dominik Daisenberger, Andrew J. Smith, Roland A. Fischer, Gregor Kieslich
Published in: Journal of the American Chemical Society, Issue 140/37, 2018, Page(s) 11581-11584, ISSN 0002-7863
DOI: 10.1021/jacs.8b07098

Tunable Prussian blue analogues for the selective synthesis of propargylamines through A 3 coupling

Author(s): Carlos Marquez, Francisco G. Cirujano, Cédric Van Goethem, Ivo Vankelecom, Dirk De Vos, Trees De Baerdemaeker
Published in: Catalysis Science & Technology, Issue 8/8, 2018, Page(s) 2061-2065, ISSN 2044-4753
DOI: 10.1039/c8cy00073e

Tackling the Defect Conundrum in UiO-66: A Mixed-Linker Approach to Engineering Missing Linker Defects

Author(s): Bart Bueken, Niels Van Velthoven, Andraž Krajnc, Simon Smolders, Francis Taulelle, Caroline Mellot-Draznieks, Gregor Mali, Thomas D. Bennett, Dirk De Vos
Published in: Chemistry of Materials, Issue 29/24, 2017, Page(s) 10478-10486, ISSN 0897-4756
DOI: 10.1021/acs.chemmater.7b04128

Design of crystal-like aperiodic solids with selective disorder–phonon coupling

Author(s): Alistair R. Overy, Andrew B. Cairns, Matthew J. Cliffe, Arkadiy Simonov, Matthew G. Tucker, Andrew L. Goodwin
Published in: Nature Communications, Issue 7, 2016, Page(s) 10445, ISSN 2041-1723
DOI: 10.1038/ncomms10445

Thermodynamic Insight in the High-Pressure Behavior of UiO-66: Effect of Linker Defects and Linker Expansion

Author(s): Sven M. J. Rogge, Jelle Wieme, Louis Vanduyfhuys, Steven Vandenbrande, Guillaume Maurin, Toon Verstraelen, Michel Waroquier, Veronique Van Speybroeck
Published in: Chemistry of Materials, Issue 28/16, 2016, Page(s) 5721-5732, ISSN 0897-4756
DOI: 10.1021/acs.chemmater.6b01956

Nature of active sites on UiO-66 and beneficial influence of water in the catalysis of Fischer esterification

Author(s): Chiara Caratelli, Julianna Hajek, Francisco G. Cirujano, Michel Waroquier, Francesc X. Llabrés i Xamena, Veronique Van Speybroeck
Published in: Journal of Catalysis, Issue 352, 2017, Page(s) 401-414, ISSN 0021-9517
DOI: 10.1016/j.jcat.2017.06.014

Missing Linkers: An Alternative Pathway to UiO-66 Electronic Structure Engineering

Author(s): Arthur De Vos, Kevin Hendrickx, Pascal Van Der Voort, Veronique Van Speybroeck, Kurt Lejaeghere
Published in: Chemistry of Materials, Issue 29/7, 2017, Page(s) 3006-3019, ISSN 0897-4756
DOI: 10.1021/acs.chemmater.6b05444

The Remarkable Amphoteric Nature of Defective UiO-66 in Catalytic Reactions

Author(s): Julianna Hajek, Bart Bueken, Michel Waroquier, Dirk De Vos, Veronique Van Speybroeck
Published in: ChemCatChem, Issue 9/12, 2017, Page(s) 2203-2210, ISSN 1867-3880
DOI: 10.1002/cctc.201601689