V
Veronique Van Speybroeck
Researcher at Ghent University
Publications - 457
Citations - 22728
Veronique Van Speybroeck is an academic researcher from Ghent University. The author has contributed to research in topics: Catalysis & Density functional theory. The author has an hindex of 71, co-authored 423 publications receiving 18130 citations. Previous affiliations of Veronique Van Speybroeck include London Centre for Nanotechnology & National Institutes of Health.
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Journal ArticleDOI
Reproducibility in density functional theory calculations of solids
Kurt Lejaeghere,Gustav Bihlmayer,Torbjörn Björkman,Torbjörn Björkman,Peter Blaha,Stefan Blügel,Volker Blum,Damien Caliste,Ivano E. Castelli,Stewart J. Clark,Andrea Dal Corso,Stefano de Gironcoli,Thierry Deutsch,J. K. Dewhurst,Igor Di Marco,Claudia Draxl,Claudia Draxl,Marcin Dulak,Olle Eriksson,José A. Flores-Livas,Kevin F. Garrity,Luigi Genovese,Paolo Giannozzi,Matteo Giantomassi,Stefan Goedecker,Xavier Gonze,Oscar Grånäs,Oscar Grånäs,E. K. U. Gross,Andris Gulans,Andris Gulans,Francois Gygi,D. R. Hamann,P. J. Hasnip,Natalie Holzwarth,Diana Iusan,Dominik B. Jochym,F. Jollet,Daniel M. Jones,Georg Kresse,Klaus Koepernik,Klaus Koepernik,Emine Kucukbenli,Emine Kucukbenli,Yaroslav Kvashnin,Inka L. M. Locht,Inka L. M. Locht,Sven Lubeck,Martijn Marsman,Nicola Marzari,Ulrike Nitzsche,Lars Nordström,Taisuke Ozaki,Lorenzo Paulatto,Chris J. Pickard,Ward Poelmans,Matt Probert,Keith Refson,Keith Refson,Manuel Richter,Manuel Richter,Gian-Marco Rignanese,Santanu Saha,Matthias Scheffler,Matthias Scheffler,Martin Schlipf,Karlheinz Schwarz,Sangeeta Sharma,Francesca Tavazza,Patrik Thunström,Alexandre Tkatchenko,Alexandre Tkatchenko,Marc Torrent,David Vanderbilt,Michiel van Setten,Veronique Van Speybroeck,John M. Wills,Jonathan R. Yates,Guo-Xu Zhang,Stefaan Cottenier +79 more
TL;DR: A procedure to assess the precision of DFT methods was devised and used to demonstrate reproducibility among many of the most widely used DFT codes, demonstrating that the precisionof DFT implementations can be determined, even in the absence of one absolute reference code.
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Synthesis Modulation as a Tool To Increase the Catalytic Activity of Metal–Organic Frameworks: The Unique Case of UiO-66(Zr)
Frederik Vermoortele,Bart Bueken,Gaëlle Le Bars,Ben Van de Voorde,Matthias Vandichel,Kristof Houthoofd,Alexandre Vimont,Marco Daturi,Michel Waroquier,Veronique Van Speybroeck,Christine E. A. Kirschhock,Dirk De Vos +11 more
TL;DR: The catalytic activity of the zirconium terephthalate UiO-66(Zr) can be drastically increased by using a modulation approach, resulting in a more open framework with a large number of open sites and is a highly active catalyst for several Lewis acid catalyzed reactions.
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Metal–organic and covalent organic frameworks as single-site catalysts
Sven Rogge,Anastasiya Bavykina,Julianna Hajek,Hermenegildo García,Alma I. Olivos-Suarez,Antonio Sepúlveda-Escribano,Alexandre Vimont,Guillaume Clet,Philippe Bazin,Freek Kapteijn,Marco Daturi,Enrique V. Ramos-Fernandez,F.X. Llabrés i Xamena,Veronique Van Speybroeck,Jorge Gascon +14 more
TL;DR: The potential of metal–organic frameworks (MOFs) and covalent organic frameworks (COFs) as platforms for the development of heterogeneous single-site catalysts is reviewed thoroughly.
Journal ArticleDOI
Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals
TL;DR: A practical protocol is proposed that allows any scientist—experimental or theoretical—to determine justifiable error estimates for many basic property predictions, without having to perform additional DFT calculations.
Journal ArticleDOI
Thermal unequilibrium of strained black CsPbI3 thin films
Julian A. Steele,Handong Jin,Iurii Dovgaliuk,Robert F. Berger,Tom Braeckevelt,Haifeng Yuan,Haifeng Yuan,Cristina Martin,Cristina Martin,Eduardo Solano,Kurt Lejaeghere,Sven Rogge,Charlotte Notebaert,Wouter Vandezande,Kris P. F. Janssen,Bart Goderis,Elke Debroye,Ya-Kun Wang,Yitong Dong,Dongxin Ma,Makhsud I. Saidaminov,Hairen Tan,Hairen Tan,Zheng-Hong Lu,Vadim Dyadkin,Dmitry Chernyshov,Veronique Van Speybroeck,Edward H. Sargent,Johan Hofkens,Maarten B. J. Roeffaers +29 more
TL;DR: The use of substrate clamping and biaxial strain is reported to render black-phase CsPbI3 thin films stable at room temperature, a response verified by ab initio thermodynamic modeling.