Prof. dr. E.J. (Evert Jan) Meijer
Faculteit der Natuurwetenschappen, Wiskunde en Informatica
Van 't Hoff Institute for Molecular Sciences
Bezoekadres
- Science Park 904
- Kamernummer: C2.223
Postadres
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Postbus 94157
1090 GD Amsterdam
Contactgegevens
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Publicaties
2024
Zhang, Y., Liu, X., van Duin, A. C. T., Lu, X., & Meijer, E. J. (2024). Development and validation of a general-purpose ReaxFF reactive force field for earth material modeling. Journal of Chemical Physics, 160(9), Article 094103. https://doi.org/10.1063/5.0194486 [details]
2023
- Do, T. H., Tong, H. D., Tran, K. Q., Meijer, E. J., & Trinh, T. T. (2023). Insight into the role of excess hydroxide ions in silicate condensation reactions. Physical Chemistry Chemical Physics, 25(18), 12723-12733. https://doi.org/10.1039/d3cp00475a [details]
- Ho, T. H., Do, T. H., Tong, H. D., Meijer, E. J., & Trinh, T. T. (2023). The Role of Chloride ion in the Silicate Condensation Reaction from ab Initio Molecular Dynamics Simulations. Journal of Physical Chemistry B, 127(36), 7748-7757. https://doi.org/10.1021/acs.jpcb.3c04256 [details]
2021
- Li, Y-Y., Meijer, E. J., & Liao, R-Z. (2021). Elucidating the Role of Aqueous Solvent in an Iron-Based Water Oxidation System by DFT-based Molecular Simulation. ChemCatChem, 13(19), 4251-4259. https://doi.org/10.1002/cctc.202100616 [details]
- Sinha, V., Sun, D., Meijer, E. J., Vlugt, T. J. H., & Bieberle-Hütter, A. (2021). A multiscale modelling approach to elucidate the mechanism of the oxygen evolution reaction at the hematite-water interface. Faraday Discussions, 229, 89-107. Advance online publication. https://doi.org/10.1039/c9fd00140a [details]
2020
- Govindarajan, N., Sinha, V., Trincado, M., Gruetzmacher, H., Meijer, E. J., & de Bruin, B. (2020). An In-Depth Mechanistic Study of Ru-Catalysed Aqueous Methanol Dehydrogenation and Prospects for Future Catalyst Design. ChemCatChem, 12(9), 2610-2621. https://doi.org/10.1002/CCTC.202000057 [details]
- Mai, N. L., Do, H. T., Hoang, N. H., Nguyen, A. H., Tran, K-Q., Meijer, E. J., & Trinh, T. T. (2020). Elucidating the Role of Tetraethylammonium in the Silicate Condensation Reaction from Ab Initio Molecular Dynamics Simulations. Journal of Physical Chemistry B, 124(45), 10210-10218. https://doi.org/10.1021/acs.jpcb.0c06607 [details]
2019
- Caratelli, C., Hajek, J., Meijer, E. J., Waroquier, M., & Van Speybroeck, V. (2019). Dynamic interplay between defective UiO-66 and protic solvents in activated processes. Chemistry - A European Journal, 25(67), 15315—15325. https://doi.org/10.1002/chem.201903178 [details]
- Dong, C., Song, X., Zhang, J., Chen, H., Meijer, E. J., & Yu, J. (2019). Selecting solvents for intensification of thermal dissociation of tri-n-octylamine hydrochloride by calculating infrared spectra from ab initio molecular dynamics. Chemical engineering journal, 377, Article 120120. Advance online publication. https://doi.org/10.1016/j.cej.2018.10.057 [details]
- Govindarajan, N., & Meijer, E. J. (2019). Modeling the Catalyst Activation Step in a Metal-Ligand Radical Mechanism Based Water Oxidation System. Inorganics, 7(5), Article 62. https://doi.org/10.3390/inorganics7050062 [details]
- Yan, N., Detz, R. J., Govindarajan, N., Koelewijn, J. M., Hua, B., Li, P., Meijer, E. J., & Reek, J. N. H. (2019). Selective surface functionalization generating site-isolated Ir on a MnOx/N-doped carbon composite for robust electrocatalytic water oxidation. Journal of Materials Chemistry. A, 7(40), 23098-23104. https://doi.org/10.1039/c9ta08447a [details]
- Zhang, C., Liu, X., Lu, X., Meijer, E. J., & Wang, R. (2019). An atomic-scale understanding of the initial stage of nucleation of heavy metal cations on clay edges. Geochimica et Cosmochimica Acta, 248, 161-171. https://doi.org/10.1016/j.gca.2019.01.010 [details]
2018
- Caratelli, C., Hajek, J., Rogge, S. M. J., Vandenbrande, S., Meijer, E. J., Waroquier, M., & Van Speybroeck, V. (2018). Influence of a Confined Methanol Solvent on the Reactivity of Active Sites in UiO-66. ChemPhysChem, 19(4), 420-429. https://doi.org/10.1002/cphc.201701109 [details]
- Dong, C., Song, X., Zhang, J., Meijer, E. J., Chen, H., & Yu, J. (2018). Insight into thermal dissociation of tri‐n‐octylamine hydrochloride: The key to realizing CO2 mineralization with waste calcium/magnesium chloride liquids. Energry Science & Engineering, 6(5), 437-447. https://doi.org/10.1002/ese3.218 [details]
- Govindarajan, N., Garcia-Lastra, J. M., Meijer, E. J., & Calle-Vallejo, F. (2018). Does the breaking of adsorption-energy scaling relations guarantee enhanced electrocatalysis? Current Opinion In Electrochemistry, 8, 110-117. https://doi.org/10.1016/j.coelec.2018.03.025 [details]
- Govindarajan, N., Tiwari, A., Ensing, B., & Meijer, E. J. (2018). Impact of the Ligand Flexibility and Solvent on the O-O Bond Formation Step in a Highly Active Ruthenium Water Oxidation Catalyst. Inorganic Chemistry, 57(21), 13063-13066. https://doi.org/10.1021/acs.inorgchem.8b00619 [details]
- Sinha, V., Govindarajan, N., de Bruin, B., & Meijer, E. J. (2018). How Solvent Affects C-H Activation and Hydrogen Production Pathways in Homogeneous Ru-Catalyzed Methanol Dehydrogenation Reactions. ACS Catalysis, 8(8), 6908-6913. https://doi.org/10.1021/acscatal.8b01177 [details]
- Xue, B., Wang, D., Tu, L., Sun, D., Jing, P., Chang, Y., Zhang, Y., Liu, X., Zuo, J., Song, J., Qu, J., Meijer, E. J., Zhang, H., & Kong, X. (2018). Ultrastrong Absorption Meets Ultraweak Absorption: Unraveling the Energy-Dissipative Routes for Dye-Sensitized Upconversion Luminescence. Journal of Physical Chemistry Letters, 9(16), 4625-4631. Advance online publication. https://doi.org/10.1021/acs.jpclett.8b01931 [details]
- Zuo, J., Sun, D., Tu, L., Wu, Y., Cao, Y., Xue, B., Zhang, Y., Chang, Y., Liu, X., Kong, X., Buma, W. J., Meijer, E. J., & Zhang, H. (2018). Precisely Tailoring Upconversion Dynamics via Energy Migration in Core-Shell Nanostructures. Angewandte Chemie, International Edition, 57(12), 3054-3058. https://doi.org/10.1002/anie.201711606, https://doi.org/10.1002/ange.201711606 [details]
- Zuo, J., Sun, D., Tu, L., Wu, Y., Cao, Y., Xue, B., Zhang, Y., Chang, Y., Liu, X., Kong, X., Buma, W. J., Meijer, E. J., & Zhang, H. (2018). Precisely Tailoring Upconversion Dynamics via Energy Migration in Core-Shell Nanostructures. Angewandte Chemie, 130(12), 3108-3112. https://doi.org/10.1002/ange.201711606, https://doi.org/10.1002/anie.201711606 [details]
2017
- Dong, C., Song, X., Meijer, E. J., Chen, G., Xu, Y., & Yu, J. (2017). Mechanism studies on thermal dissociation of tri-n-octylamine hydrochloride with FTIR, TG, DSC and quantum chemical methods. JOURNAL OF CHEMICAL SCIENCES, 129(9), 1431-1440. https://doi.org/10.1007/s12039-017-1357-4 [details]
- Zhang, C., Liu, X., Lu, X., He, M., Meijer, E. J., & Wang, R. (2017). Surface complexation of heavy metal cations on clay edges: insights from first principles molecular dynamics simulation of Ni(II). Geochimica et Cosmochimica Acta, 203, 54-68. https://doi.org/10.1016/j.gca.2017.01.014 [details]
2016
- De Meyer, T., Ensing, B., Rogge, S. M. J., De Clerck, K., Meijer, E. J., & Van Speybroeck, V. (2016). Acidity Constant (pKa) Calculation of Large Solvated Dye Molecules: Evaluation of Two Advanced Molecular Dynamics Methods. ChemPhysChem, 17(21), 3447-3459. https://doi.org/10.1002/cphc.201600734 [details]
- De Wispelaere, K., Wondergem, C. S., Ensing, B., Hemelsoet, K., Meijer, E. J., Weckhuysen, B. M., van Van Speybroeck, V., & Ruiz-Martı́nez, J. (2016). Insight into the Effect of Water on the Methanol-to-Olefins Conversion in H-SAPO-34 from Molecular Simulations and in Situ Microspectroscopy. ACS Catalysis, 6(3), 1991-2002. https://doi.org/10.1021/acscatal.5b02139 [details]
- Pavlova, A., Rosler, E., & Meijer, E. J. (2016). Mechanistic Aspects of Using Formate as a Hydrogen Donor in Aqueous Transfer Hydrogenation. ACS Catalysis, 6(8), 5350-5358. https://doi.org/10.1021/acscatal.6b00323 [details]
2015
- De Wispelaere, K., Ensing, B., Ghysels, A., Meijer, E. J., & van Van Speybroeck, V. (2015). Complex Reaction Environments and Competing Reaction Mechanisms in Zeolite Catalysis: Insights from Advanced Molecular Dynamics. Chemistry - A European Journal, 21(26), 9385-9396. https://doi.org/10.1002/chem.201500473 [details]
- Homsi Brandeburgo, W., Thijmen van der Post, S., Meijer, E. J., & Ensing, B. (2015). On the slowdown mechanism of water dynamics around small amphiphiles. Physical Chemistry Chemical Physics, 17(38), 24968-24977. https://doi.org/10.1039/c5cp03486h [details]
- Trinh, T. T., Tran, K. Q., Zhang, X. Q., van Santen, R. A., & Meijer, E. J. (2015). The role of a structure directing agent tetramethylammonium template in the initial steps of silicate oligomerization in aqueous solution. Physical Chemistry Chemical Physics, 17(34), 21810-21818. https://doi.org/10.1039/c5cp02068a [details]
2013
- Colonna, F., Fasolino, A., & Meijer, E. J. (2013). Graphitization of single-wall nanotube bundles at extreme conditions: Collapse or coalescence route. Physical Review B, 88(16), 165416. https://doi.org/10.1103/PhysRevB.88.165416 [details]
- Jaeqx, S., Du, W., Meijer, E. J., Oomens, J., & Rijs, A. M. (2013). Conformational Study of Z-Glu-OH and Z-Arg-OH: Dispersion Interactions versus Conventional Hydrogen Bonding. The Journal of Physical Chemistry. A, 117(6), 1216-1227. https://doi.org/10.1021/jp3053339 [details]
- Liu, X., Lu, X., Sprik, M., Cheng, J., Meijer, E. J., & Wang, R. (2013). Acidity of edge surface sites of montmorillonite and kaolinite. Geochimica et Cosmochimica Acta, 117, 180-190. https://doi.org/10.1016/j.gca.2013.04.008 [details]
- Pavlova, A., Trinh, T. T., Santen, R. A., & Meijer, E. J. (2013). Clarifying the role of sodium in the silica oligomerization reaction. Physical Chemistry Chemical Physics, 15(4), 1123-1129. https://doi.org/10.1039/c2cp42436c [details]
2012
- Liu, X., Lu, X., Meijer, E. J., Wang, R., & Zhou, H. (2012). Atomic-scale structures of interfaces between phyllosilicate edges and water. Geochimica et Cosmochimica Acta, 81, 56-68. https://doi.org/10.1016/j.gca.2011.12.009 [details]
- Liu, X., Lu, X., Wang, R., Meijer, E. J., Zhou, H., & He, H. (2012). Atomic scale structures of interfaces between kaolinite edges and water. Geochimica et Cosmochimica Acta, 92, 233-242. https://doi.org/10.1016/j.gca.2012.06.008 [details]
- Liu, X., Meijer, E. J., Lu, X., & Wang, R. (2012). First-Principles Molecular Dynamics Insight Into Fe2+ Complexes Adsorbed On Edge Surfaces Of Clay Minerals. Clays and clay minerals, 60(4), 341-347. https://doi.org/10.1346/CCMN.2012.0600401 [details]
- Pavlova, A., & Meijer, E. J. (2012). Understanding the role of water in aqueous ruthenium-catalyzed transfer hydrogenation of ketones. ChemPhysChem, 13(15), 3492-3496. https://doi.org/10.1002/cphc.201200454 [details]
2011
- Colonna, F., Fasolino, A., & Meijer, E. J. (2011). High-pressure high-temperature equation of state of graphite from Monte Carlo simulations. Carbon, 49(2), 364-368. https://doi.org/10.1016/j.carbon.2010.09.029 [details]
- Colonna, F., Fasolino, A., & Meijer, E. J. (2011). Structure and thermodynamic stability of carbon clathrates: a Monte Carlo study. Solid State Communications, 152(3), 180-184. https://doi.org/10.1016/j.ssc.2011.11.011 [details]
- Liu, X., Lu, X., Wang, R., & Meijer, E. J. (2011). Understanding hydration of Zn(2+) in hydrothermal fluids with ab initio molecular dynamics. Physical Chemistry Chemical Physics, 13(29), 13305-13309. https://doi.org/10.1039/c0cp03005h [details]
- Liu, X., Lu, X., Wang, R., Meijer, E. J., & Zhou, H. (2011). Acidities of confined water in interlayer space of clay minerals. Geochimica et Cosmochimica Acta, 75(17), 4978-4986. https://doi.org/10.1016/j.gca.2011.06.011 [details]
2010
- Ghiringhelli, L. M., & Meijer, E. J. (2010). Liquid carbon: Freezing line and structure near freezing. In L. Colombo, & A. Fasolino (Eds.), Computer-based modeling of novel carbon systems and their properties: beyond nanotubes (pp. 1-36). (Carbon materials. Chemistry and physics; No. 3). Springer. https://doi.org/10.1007/978-1-4020-9718-8_1 [details]
- Liu, X., Lu, X., Meijer, E. J., & Wang, R. (2010). Hydration mechanisms of Cu2+: tetra-, penta- or hexa-coordinated? Physical Chemistry Chemical Physics, 12(36), 10801-10804. https://doi.org/10.1039/c001916j [details]
- Liu, X., Lu, X., Meijer, E. J., Wang, R., & Zhou, H. (2010). Acid dissociation mechanisms of Si(OH)(4) and Al(H2O)(6)(3+) in aqueous solution. Geochimica et Cosmochimica Acta, 74(2), 510-516. https://doi.org/10.1016/j.gca.2009.10.032 [details]
- Liu, X., Meijer, E. J., Lu, X., & Wang, R. (2010). Ab initio molecular dynamics study of Fe-containing smectites. Clays and clay minerals, 58(1), 89-96. https://doi.org/10.1346/CCMN.2010.0580109 [details]
2009
- Colonna, F., Los, J. H., Fasolino, A., & Meijer, E. J. (2009). Properties of graphite at melting from multilayer thermodynamic integration. Physical Review B, 80(13), 134103. https://doi.org/10.1103/PhysRevB.80.134103 [details]
- Liu, X., & Meijer, E. J. (2009). Mechanism of base-promoted dehydrochlorination of pentachloroethane: Concerted or stepwise? The Journal of Physical Chemistry. A, 113(15), 3542-3544. https://doi.org/10.1021/jp900944g [details]
- Trinh, T. T., Jansen, A. P. J., Santen, R. A., & Meijer, E. J. (2009). Role of water in silica oligomerization. The Journal of Physical Chemistry. C, 113(7), 2647-2652. https://doi.org/10.1021/jp076372c [details]
- Trinh, T. T., Jansen, A. P. J., Santen, R. A., & Meijer, E. J. (2009). The role of water in silicate oligomerization reaction. Physical Chemistry Chemical Physics, 11(25), 5092-5099. https://doi.org/10.1039/b819817a [details]
- Trinh, T. T., Jansen, A. P. J., Santen, R. A., VandeVondele, J., & Meijer, E. J. (2009). Effect of counter ions on the silica oligomerization reaction. ChemPhysChem, 10(11), 1775-1782. https://doi.org/10.1002/cphc.200900006 [details]
2008
- Ghiringhelli, L. M., Valeriani, C., Los, J. H., Meijer, E. J., Fasolino, A., & Frenkel, D. (2008). State-of-the-art models for the phase diagram of carbon and diamond nucleation. Molecular Physics, 106(16-18), 2011-2038. https://doi.org/10.1080/00268970802077884 [details]
- Leenders, E. J. M., Bolhuis, P. G., & Meijer, E. J. (2008). Microscopic picture of the aqueous solvation of glutamic acid. Journal of Chemical Theory and Computation, 4(6), 898-907. https://doi.org/10.1021/ct700344f [details]
2018
- Govindarajan, N., & Meijer, E. J. (2018). Modeling chemical reactions in protic solvents. Abstracts of papers of the American Chemical Society, 256.
Prijs / subsidie
- Bolhuis, P., Meijer, E., Ensing, B., Garcia, A. & Woutersen, S. (2024). Gravitation funding ANION. https://www.uva.nl/shared-content/subsites/van-t-hoff-institute-for-molecular-sciences/en/news/2024/03/hims-researchers-participate-in-advan…
Lidmaatschap / relevante positie
- Meijer, E. (2019-2022). Member, Lorentz-CECAM workshop panel.
- Meijer, E. (2019-2020). Member, Programme Committee NWO Chains.
- Meijer, E. (2017). Member, NWO panel TOP-ECHO.
- Meijer, E. (2017-2019). Member, CECAM Council.
Andere
- Meijer, E. (host) (20-9-2019). Rong-Zhen Liao (hosting a visitor).
- Meijer, E. (host) (18-1-2019). Ignacio Pagonabarraga (hosting a visitor).
- Meijer, E. J. (host) (12-6-2018). Xiandong Liu (hosting a visitor).
- Meijer, E. (organiser) (18-4-2018). Proefstuderen. Proefstuderen (organising a conference, workshop, ...).
2019
- Li, P., Reek, J. N. H., Koelewijn, M., Govindarajan, N., Yan, N., Meijer, E., Detz, R. & Hua, B. (2019). CCDC 1521805: Experimental Crystal Structure Determination. The Cambridge Structural Database. https://doi.org/10.5517/ccdc.csd.cc1n2khs
This list of publications is extracted from the UvA-Current Research Information System. Questions? Ask the library or the Pure staff of your faculty / institute. Log in to Pure to edit your publications. Log in to Personal Page Publication Selection tool to manage the visibility of your publications on this list. -
Nevenwerkzaamheden
- Geen nevenwerkzaamheden
Zhang, Y., Liu, X., van Duin, A. C. T., Lu, X., & Meijer, E. J. (2024). Development and validation of a general-purpose ReaxFF reactive force field for earth material modeling. Journal of Chemical Physics, 160(9), Article 094103.