| Year |
Citation |
Score |
| 2020 |
Aly M, Fornero EL, Garzón ARL, Galvita VV, Saeys M. Effect of boron promotion on coke formation during propane dehydrogenation over Pt/γ-Al2O3 catalysts Acs Catalysis. 10: 5208-5216. DOI: 10.1021/Acscatal.9B05548 |
0.329 |
|
| 2019 |
Vrieze JD, Blanco CAU, Thybaut J, Saeys M. Autocatalytic Role of Molecular Hydrogen in Copper-Catalyzed Transfer Hydrogenation of Ketones Acs Catalysis. 9: 8073-8082. DOI: 10.1021/Acscatal.9B01759 |
0.352 |
|
| 2019 |
Vrieze JED, Thybaut JW, Saeys M. Role of Keto–Enol Tautomerization in the Copper-Catalyzed Hydrogenation of Ketones Acs Catalysis. 9: 3831-3839. DOI: 10.1021/Acscatal.9B00279 |
0.406 |
|
| 2019 |
Vrieze JED, Gunasooriya GKK, Thybaut JW, Saeys M. Operando computational catalysis: shape, structure, and coverage under reaction conditions Current Opinion in Chemical Engineering. 23: 85-91. DOI: 10.1016/J.Coche.2019.03.003 |
0.368 |
|
| 2018 |
Gunasooriya GTKK, Saeys M. CO Adsorption on Pt(111): From Isolated Molecules to Ordered High-Coverage Structures Acs Catalysis. 8: 10225-10233. DOI: 10.1021/Acscatal.8B02371 |
0.382 |
|
| 2018 |
Vrieze JED, Thybaut JW, Saeys M. Role of surface hydroxyl species in copper catalyzed hydrogenation of ketones Acs Catalysis. 8: 7539-7548. DOI: 10.1021/Acscatal.8B01652 |
0.423 |
|
| 2018 |
Gunasooriya GTKK, Saeys M. CO Adsorption Site Preference on Platinum: Charge Is the Essence Acs Catalysis. 8: 3770-3774. DOI: 10.1021/Acscatal.8B00214 |
0.32 |
|
| 2017 |
Banerjee A, Bavel APv, Kuipers HPCE, Saeys M. CO Activation on Realistic Cobalt Surfaces: Kinetic Role of Hydrogen Acs Catalysis. 7: 5289-5293. DOI: 10.1021/Acscatal.7B00846 |
0.451 |
|
| 2017 |
Gunasooriya GTKK, Seebauer EG, Saeys M. Ethylene Hydrogenation over Pt/TiO2: A Charge-Sensitive Reaction Acs Catalysis. 7: 1966-1970. DOI: 10.1021/Acscatal.6B02906 |
0.348 |
|
| 2016 |
Martens J, Bogaerts A, De Kimpe N, Jacobs P, Marin G, Rabaey K, Saeys M, Verhelst S. The Chemical Route to a CO2-neutral world. Chemsuschem. PMID 27925436 DOI: 10.1002/Cssc.201601051 |
0.59 |
|
| 2016 |
Godlewski S, Kawai H, Kolmer M, Zuzak R, Echavarren AM, Joachim C, Szymonski M, Saeys M. Single Molecule Rotational Switch on a Dangling Bond Dimer Bearing. Acs Nano. PMID 27504525 DOI: 10.1021/Acsnano.6B03590 |
0.35 |
|
| 2016 |
Godlewski S, Kawai H, Engelund M, Kolmer M, Zuzak R, Garcia-Lekue A, Novell-Leruth G, Echavarren AM, Sanchez-Portal D, Joachim C, Saeys M. Diels-Alder attachment of a planar organic molecule to a dangling bond dimer on a hydrogenated semiconductor surface. Physical Chemistry Chemical Physics : Pccp. PMID 27271337 DOI: 10.1039/C6Cp02346K |
0.374 |
|
| 2016 |
Banerjee A, Navarro V, Frencken JW, van Bavel AP, Kuipers HP, Saeys M. Shape and Size of Cobalt Nano-islands Formed Spontaneously on Cobalt Terraces during Fischer-Tropsch Synthesis. The Journal of Physical Chemistry Letters. PMID 27176712 DOI: 10.1021/Acs.Jpclett.6B00555 |
0.399 |
|
| 2016 |
Godlewski S, Kolmer M, Engelund M, Kawai H, Zuzak R, Garcia-Lekue A, Saeys M, Echavarren AM, Joachim C, Sanchez-Portal D, Szymonski M. Interaction of a conjugated polyaromatic molecule with a single dangling bond quantum dot on a hydrogenated semiconductor. Physical Chemistry Chemical Physics : Pccp. PMID 26766161 DOI: 10.1039/C5Cp07307C |
0.356 |
|
| 2016 |
Gunasooriya GTKK, Bavel APv, Kuipers HPCE, Saeys M. Key Role of Surface Hydroxyl Groups in C–O Activation during Fischer–Tropsch Synthesis Acs Catalysis. 6: 3660-3664. DOI: 10.1021/Acscatal.6B00634 |
0.412 |
|
| 2016 |
Kawai H, Neucheva O, Yap TL, Joachim C, Saeys M. Electronic characterization of a single dangling bond on n- and p-type Si(001)-(2 × 1):H Surface Science. 645: 88-92. DOI: 10.1016/J.Susc.2015.11.001 |
0.336 |
|
| 2015 |
Nandula A, Trinh QT, Saeys M, Alexandrova AN. Origin of extraordinary stability of square-planar carbon atoms in surface carbides of cobalt and nickel. Angewandte Chemie (International Ed. in English). 54: 5312-6. PMID 25809134 DOI: 10.1002/Anie.201501049 |
0.346 |
|
| 2015 |
Banerjee A, Van Bavel AP, Kuipers HPCE, Saeys M. Origin of the Formation of Nanoislands on Cobalt Catalysts during Fischer-Tropsch Synthesis Acs Catalysis. 5: 4756-4760. DOI: 10.1021/Acscatal.5B01169 |
0.385 |
|
| 2015 |
Gunasooriya GTKK, Bavel APv, Kuipers HPCE, Saeys M. CO adsorption on cobalt: Prediction of stable surface phases Surface Science. 642. DOI: 10.1016/J.Susc.2015.06.024 |
0.326 |
|
| 2015 |
Nandula A, Trinh QT, Saeys M, Alexandrova AN. Frontispiece: Origin of Extraordinary Stability of Square-Planar Carbon Atoms in Surface Carbides of Cobalt and Nickel Angewandte Chemie International Edition. 54. DOI: 10.1002/Anie.201581861 |
0.33 |
|
| 2014 |
Platon M, Wijaya N, Rampazzi V, Cui L, Rousselin Y, Saeys M, Hierso JC. Thioetherification of chloroheteroarenes: a binuclear catalyst promotes wide scope and high functional-group tolerance. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 12584-94. PMID 25112971 DOI: 10.1002/Chem.201403337 |
0.337 |
|
| 2014 |
Zhang J, Asakura H, Van Rijn J, Yang J, Duchesne P, Zhang B, Chen X, Zhang P, Saeys M, Yan N. Highly efficient, NiAu-catalyzed hydrogenolysis of lignin into phenolic chemicals Green Chemistry. 16: 2432-2437. DOI: 10.1039/C3Gc42589D |
0.313 |
|
| 2014 |
Chua YPG, Gunasooriya GTKK, Saeys M, Seebauer EG. Controlling the CO oxidation rate over Pt/TiO2 catalysts by defect engineering of the TiO2 support Journal of Catalysis. 311: 306-313. DOI: 10.1016/J.Jcat.2013.12.007 |
0.36 |
|
| 2014 |
Romeo E, Saeys M, Monzón A, Borgna A. Carbon nanotube formation during propane decomposition on boron-modified Co/Al2O3 catalysts: A kinetic study International Journal of Hydrogen Energy. 39: 18016-18026. DOI: 10.1016/J.Ijhydene.2014.04.168 |
0.386 |
|
| 2013 |
Godlewski S, Kolmer M, Kawai H, Such B, Zuzak R, Saeys M, de Mendoza P, Echavarren AM, Joachim C, Szymonski M. Contacting a conjugated molecule with a surface dangling bond dimer on a hydrogenated Ge(001) surface allows imaging of the hidden ground electronic state. Acs Nano. 7: 10105-11. PMID 24148187 DOI: 10.1021/Nn404254Y |
0.379 |
|
| 2013 |
Trinh QT, Tan KF, Borgna A, Saeys M. Evaluating the structure of catalysts using core-level binding energies calculated from first principles Journal of Physical Chemistry C. 117: 1684-1691. DOI: 10.1021/Jp3089758 |
0.345 |
|
| 2013 |
Zhuo M, Borgna A, Saeys M. Effect of the CO coverage on the Fischer-Tropsch synthesis mechanism on cobalt catalysts Journal of Catalysis. 297: 217-226. DOI: 10.1016/J.Jcat.2012.10.008 |
0.351 |
|
| 2012 |
Kawai H, Ample F, Wang Q, Yeo YK, Saeys M, Joachim C. Dangling-bond logic gates on a Si(100)-(2 × 1)-H surface. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 24: 095011. PMID 22329961 DOI: 10.1088/0953-8984/24/9/095011 |
0.337 |
|
| 2012 |
Kolmer M, Godlewski S, Kawai H, Such B, Krok F, Saeys M, Joachim C, Szymonski M. Electronic properties of STM-constructed dangling-bond dimer lines on a Ge(001)-(2×1):H surface Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/Physrevb.86.125307 |
0.313 |
|
| 2012 |
Trinh QT, Yang J, Lee JY, Saeys M. Computational and experimental study of the Volcano behavior of the oxygen reduction activity of PdM@PdPt/C (M = Pt, Ni, Co, Fe, and Cr) core-shell electrocatalysts Journal of Catalysis. 291: 26-35. DOI: 10.1016/J.Jcat.2012.04.001 |
0.356 |
|
| 2011 |
Tan KF, Chang J, Borgna A, Saeys M. Effect of boron promotion on the stability of cobalt Fischer–Tropsch catalysts Journal of Catalysis. 280: 50-59. DOI: 10.1016/J.Jcat.2011.03.002 |
0.42 |
|
| 2011 |
Cui L, Saeys M. Aryl Fluoride Reductive Elimination from PdII Complexes: a Descriptor to Guide Ligand Selection Chemcatchem. 3: 1060-1064. DOI: 10.1002/Cctc.201000461 |
0.319 |
|
| 2011 |
Platon M, Cui L, Mom S, Richard P, Saeys M, Hierso J. Etherification of Functionalized Phenols with Chloroheteroarenes at Low Palladium Loading: Theoretical Assessment of the Role of Triphosphane Ligands in CO Reductive Elimination Advanced Synthesis & Catalysis. 353: 3403-3414. DOI: 10.1002/Adsc.201100481 |
0.344 |
|
| 2010 |
Kawai H, Yeo YK, Saeys M, Joachim C. Conductance decay of a surface hydrogen tunneling junction fabricated along a Si(001)- ( 2 × 1 ) -H atomic wire Physical Review B. 81: 195316. DOI: 10.1103/Physrevb.81.195316 |
0.349 |
|
| 2010 |
Xu J, Yang J, Lee JY, Saeys M. Design of an oxygen reduction catalyst for direct methanol fuel cells Industrial and Engineering Chemistry Research. 49: 10251-10253. DOI: 10.1021/Ie100524S |
0.359 |
|
| 2010 |
Saeys M, Tan KF, Chang J, Borgna A. Improving the stability of cobalt Fischer-Tropsch catalysts by Boron promotion Industrial & Engineering Chemistry Research. 49: 11098-11100. DOI: 10.1021/Ie100523U |
0.379 |
|
| 2010 |
Tan KF, Xu J, Chang J, Borgna A, Saeys M. Carbon deposition on Co catalysts during Fischer-Tropsch synthesis : a computational and experimental study Journal of Catalysis. 274: 121-129. DOI: 10.1016/J.Jcat.2010.06.008 |
0.425 |
|
| 2009 |
Sun W, Yang L, Yu L, Saeys M. Ab initio reaction path analysis for the initial hydrogen abstraction from organic acids by hydroxyl radicals. The Journal of Physical Chemistry. A. 113: 7852-60. PMID 19569719 DOI: 10.1021/Jp8090792 |
0.317 |
|
| 2009 |
Zhuo M, Tan KF, Borgna A, Saeys M. Density functional theory study of the co insertion mechanism for Fischer-Tropsch synthesis over co catalysts Journal of Physical Chemistry C. 113: 8357-8365. DOI: 10.1021/Jp900281H |
0.463 |
|
| 2009 |
Xu J, Saeys M. First Principles Study of the Effect of Carbon and Boron on the Activity of a Ni Catalyst Journal of Physical Chemistry C. 113: 4099-4106. DOI: 10.1021/Jp805579D |
0.407 |
|
| 2009 |
Tiwari RK, Otálvaro DM, Joachim C, Saeys M. Origin of the contrast inversion in the STM image of CO on Cu(111) Surface Science. 603: 3286-3291. DOI: 10.1016/J.Susc.2009.09.017 |
0.341 |
|
| 2009 |
Xu J, Chen L, Tan KF, Borgna A, Saeys M. Effect of boron on the stability of Ni catalysts during steam methane reforming Journal of Catalysis. 261: 158-165. DOI: 10.1016/J.Jcat.2008.11.007 |
0.365 |
|
| 2008 |
Yong KS, Otalvaro DM, Duchemin I, Saeys M, Joachim C. Calculation of the conductance of a finite atomic line of sulfur vacancies created on a molybdenum disulfide surface Physical Review B. 77: 205429. DOI: 10.1103/Physrevb.77.205429 |
0.301 |
|
| 2008 |
Xu J, Saeys M. First Principles Study of the Stability and the Formation Kinetics of Subsurface and Bulk Carbon on a Ni Catalyst Journal of Physical Chemistry C. 112: 9679-9685. DOI: 10.1021/Jp711497Q |
0.397 |
|
| 2008 |
Tiwari RK, Yang J, Saeys M, Joachim C. Surface reconstruction of MoS2 to Mo2S3 Surface Science. 602: 2628-2633. DOI: 10.1016/J.Susc.2008.06.006 |
0.322 |
|
| 2007 |
Xu J, Saeys M. First principles study of the coking resistance and the activity of a boron promoted Ni catalyst Chemical Engineering Science. 62: 5039-5041. DOI: 10.1016/J.Ces.2006.11.050 |
0.413 |
|
| 2006 |
Saeys M, Reyniers MF, Van Speybroeck V, Waroquier M, Marin GB. Ab initio group contribution method for activation energies of hydrogen abstraction reactions. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 7: 188-99. PMID 16323223 DOI: 10.1002/Cphc.200500206 |
0.637 |
|
| 2006 |
Saeys M, Reyniers MF, Neurock M, Marin GB. Adsorption of cyclohexadiene, cyclohexene and cyclohexane on Pt(1 1 1) Surface Science. 600: 3121-3134. DOI: 10.1016/J.Susc.2006.05.059 |
0.628 |
|
| 2006 |
Xu J, Saeys M. Improving the coking resistance of Ni-based catalysts by promotion with subsurface boron Journal of Catalysis. 242: 217-226. DOI: 10.1016/J.Jcat.2006.05.029 |
0.384 |
|
| 2005 |
Saeys M, Reyniers MF, Neurock M, Marin GB. Ab initio reaction path analysis of benzene hydrogenation to cyclohexane on Pt(111). The Journal of Physical Chemistry. B. 109: 2064-73. PMID 16851197 DOI: 10.1021/Jp049421J |
0.66 |
|
| 2005 |
Sabbe MK, Saeys M, Reyniers MF, Marin GB, Van Speybroeck V, Waroquier M. Group additive values for the gas phase standard enthalpy of formation of hydrocarbons and hydrocarbon radicals. The Journal of Physical Chemistry. A. 109: 7466-80. PMID 16834116 DOI: 10.1021/Jp050484R |
0.562 |
|
| 2005 |
Jing X, Saeys M. Coking mechanism and promoter design for Ni-based catalysts: A first principles study Aiche Annual Meeting Conference Proceedings. 2005. DOI: 10.1142/S0219581X07004389 |
0.408 |
|
| 2005 |
Saeys M, Reyniers MF, Thybaut JW, Neurock M, Marin GB. First-principles based kinetic model for the hydrogenation of toluene Journal of Catalysis. 236: 129-138. DOI: 10.1016/J.Jcat.2005.09.019 |
0.448 |
|
| 2004 |
Saeys M, Thybaut JW, Neurock M, Marin GB. Kinetic models for catalytic reactions from first principles: Benzene hydrogenation Molecular Physics. 102: 267-272. DOI: 10.1080/00268970410001668516 |
0.466 |
|
| 2004 |
Saeys M, Reyniers M, Marin GB, Speybroeck VV, Waroquier M. Ab initio group contribution method for activation energies for radical additions Aiche Journal. 50: 426-444. DOI: 10.1002/Aic.10038 |
0.362 |
|
| 2003 |
Saeys M, Reyniers MF, Neurock M, Marin GB. Density functional theory analysis of benzene (De)hydrogenation on Pt(111): Addition and removal of the first two H-atoms Journal of Physical Chemistry B. 107: 3844-3855. DOI: 10.1021/Jp022166N |
0.441 |
|
| 2003 |
Saeys M, Reyniers M, Marin GB, Speybroeck VV, Waroquier M. Ab Initio Calculations for Hydrocarbons: Enthalpy of Formation, Transition State Geometry, and Activation Energy for Radical Reactions Journal of Physical Chemistry A. 107: 9147-9159. DOI: 10.1021/Jp021706D |
0.436 |
|
| 2003 |
Speybroeck VV, Neck DV, Waroquier M, Wauters S, Saeys M, Marin GB. Ab initio study on elementary radical reactions in coke formation International Journal of Quantum Chemistry. 91: 384-388. DOI: 10.1002/Qua.10458 |
0.319 |
|
| 2002 |
Saeys M, Reyniers MF, Marin GB, Neurock M. Density functional study of benzene adsorption on Pt(111) Journal of Physical Chemistry B. 106: 7489-7498. DOI: 10.1021/Jp0201231 |
0.36 |
|
| 2002 |
Thybaut JW, Saeys M, Marin GB. Hydrogenation kinetics of toluene on Pt/ZSM-22 Chemical Engineering Journal. 90: 117-129. DOI: 10.1016/S1385-8947(02)00073-6 |
0.45 |
|
| 2002 |
Saeys M, Reyniers MF, Marin GB, Neurock M. Density functional study of the adsorption of 1,4-cyclohexadiene on Pt(1 1 1): Origin of the C-H stretch red shift Surface Science. 513: 315-327. DOI: 10.1016/S0039-6028(02)01775-2 |
0.414 |
|
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