Martijn A. Zwijnenburg - Publications

Affiliations: 
University College London, London, United Kingdom 
Area:
Computational Chemistry, Photocatalysis, Porous Materials

72 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Sprick RS, Chen Z, Cowan AJ, Bai Y, Aitchison CM, Fang Y, Zwijnenburg MA, Cooper AI, Wang X. Water oxidation with cobalt-loaded linear conjugated polymer photocatalysts. Angewandte Chemie (International Ed. in English). PMID 32596879 DOI: 10.1002/Anie.202008000  0.355
2020 Yuan Q, Santana-Bonilla A, Zwijnenburg MA, Jelfs KE. Molecular generation targeting desired electronic properties via deep generative models. Nanoscale. PMID 32163074 DOI: 10.1039/C9Nr10687A  0.319
2020 Bai Y, Nakagawa K, Cowan AJ, Aitchison CM, Yamaguchi Y, Zwijnenburg MA, Kudo A, Sprick RS, Cooper AI. Photocatalyst Z-scheme system composed of a linear conjugated polymer and BiVO4 for overall water splitting under visible light Journal of Materials Chemistry. 8: 16283-16290. DOI: 10.1039/D0Ta04754F  0.347
2020 Bai Y, Woods DJ, Wilbraham L, Aitchison CM, Zwijnenburg MA, Sprick RS, Cooper AI. Hydrogen evolution from water using heteroatom substituted fluorene conjugated co-polymers Journal of Materials Chemistry A. 8: 8700-8705. DOI: 10.1039/D0Ta02599B  0.336
2020 Aitchison CM, Kane CM, McMahon DP, Spackman PR, Pulido A, Wang X, Wilbraham L, Chen L, Clowes R, Zwijnenburg MA, Sprick RS, Little MA, Day GM, Cooper AI. Photocatalytic proton reduction by a computationally identified, molecular hydrogen-bonded framework Journal of Materials Chemistry A. 8: 7158-7170. DOI: 10.1039/D0Ta00219D  0.306
2020 Aitchison CM, Sachs M, Little MA, Wilbraham L, Brownbill NJ, Kane CM, Blanc F, Zwijnenburg MA, Durrant JR, Sprick RS, Cooper AI. Structure–activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water Chemical Science. 11: 8744-8756. DOI: 10.1039/D0Sc02675A  0.335
2020 Woods DJ, Hillman SAJ, Pearce D, Wilbraham L, Flagg LQ, Duffy W, McCulloch I, Durrant JR, Guilbert AAY, Zwijnenburg MA, Sprick RS, Nelson J, Cooper AI. Side-chain tuning in conjugated polymer photocatalysts for improved hydrogen production from water Energy and Environmental Science. 13: 1843-1855. DOI: 10.1039/D0Ee01213K  0.359
2019 Meier CB, Clowes R, Berardo E, Jelfs KE, Zwijnenburg MA, Sprick RS, Cooper AI. Structurally Diverse Covalent Triazine-Based Framework Materials for Photocatalytic Hydrogen Evolution from Water. Chemistry of Materials : a Publication of the American Chemical Society. 31: 8830-8838. PMID 32063679 DOI: 10.1021/Acs.Chemmater.9B02825  0.745
2019 Draper ER, Wilbraham L, Adams DJ, Wallace M, Schweins R, Zwijnenburg MA. Insight into the self-assembly of water-soluble perylene bisimide derivatives through a combined computational and experimental approach. Nanoscale. PMID 31414112 DOI: 10.1039/C9Nr03898A  0.317
2019 Wilbraham L, Sprick RS, Jelfs KE, Zwijnenburg MA. Mapping binary copolymer property space with neural networks. Chemical Science. 10: 4973-4984. PMID 31183046 DOI: 10.1039/C8Sc05710A  0.322
2019 Bai Y, Wilbraham L, Slater BJ, Zwijnenburg MA, Sprick RS, Cooper AI. Accelerated discovery of organic polymer photocatalysts for hydrogen evolution from water through the integration of experiment and theory. Journal of the American Chemical Society. PMID 31074272 DOI: 10.1021/Jacs.9B03591  0.364
2019 Vogel A, Forster M, Wilbraham L, Smith CL, Cowan AJ, Zwijnenburg MA, Sprick RS, Cooper AI. Photocatalytically active ladder polymers. Faraday Discussions. PMID 30972395 DOI: 10.1039/C8Fd00197A  0.35
2019 Wang Y, Vogel A, Sachs M, Sprick RS, Wilbraham L, Moniz SJA, Godin R, Zwijnenburg MA, Durrant JR, Cooper AI, Tang J. Current understanding and challenges of solar-driven hydrogen generation using polymeric photocatalysts Nature Energy. 4: 746-760. DOI: 10.1038/S41560-019-0456-5  0.389
2018 Sachs M, Sprick RS, Pearce D, Hillman SAJ, Monti A, Guilbert AAY, Brownbill NJ, Dimitrov S, Shi X, Blanc F, Zwijnenburg MA, Nelson J, Durrant JR, Cooper AI. Understanding structure-activity relationships in linear polymer photocatalysts for hydrogen evolution. Nature Communications. 9: 4968. PMID 30470759 DOI: 10.1038/S41467-018-07420-6  0.389
2018 Wang X, Chen L, Chong SY, Little MA, Wu Y, Zhu WH, Clowes R, Yan Y, Zwijnenburg MA, Sprick RS, Cooper AI. Sulfone-containing covalent organic frameworks for photocatalytic hydrogen evolution from water. Nature Chemistry. PMID 30275507 DOI: 10.1038/S41557-018-0141-5  0.364
2018 Wilbraham L, Berardo E, Turcani L, Jelfs KE, Zwijnenburg MA. A high-throughput screening approach for the optoelectronic properties of conjugated polymers. Journal of Chemical Information and Modeling. PMID 29940733 DOI: 10.1021/Acs.Jcim.8B00256  0.732
2018 Sprick RS, Bonillo B, Clowes R, Guiglion P, Brownbill NJ, Slater BJ, Blanc F, Zwijnenburg MA, Adams DJ, Cooper AI. Corrigendum: Visible-Light-Driven Hydrogen Evolution Using Planarized Conjugated Polymer Photocatalysts. Angewandte Chemie (International Ed. in English). 57: 2520. PMID 29485756 DOI: 10.1002/Anie.201800571  0.307
2018 Sprick RS, Aitchison C, Berardo E, Turcani L, Wilbraham L, Alston BM, Jelfs KE, Zwijnenburg MA, Cooper AI. Maximising the hydrogen evolution activity in organic photocatalysts by co-polymerisation Journal of Materials Chemistry A. 6: 11994-12003. DOI: 10.1039/C8Ta04186E  0.723
2018 Sprick RS, Bai Y, Guilbert AAY, Zbiri M, Aitchison CM, Wilbraham L, Yan Y, Woods DJ, Zwijnenburg MA, Cooper AI. Photocatalytic Hydrogen Evolution from Water Using Fluorene and Dibenzothiophene Sulfone-Conjugated Microporous and Linear Polymers Chemistry of Materials. 31: 305-313. DOI: 10.1021/Acs.Chemmater.8B02833  0.355
2018 Sprick RS, Wilbraham L, Bai Y, Guiglion P, Monti A, Clowes R, Cooper AI, Zwijnenburg MA. Nitrogen Containing Linear Poly(phenylene) Derivatives for Photo-catalytic Hydrogen Evolution from Water Chemistry of Materials. 30: 5733-5742. DOI: 10.1021/Acs.Chemmater.8B02501  0.404
2017 Berardo E, Kaplan F, Bhaskaran-Nair K, Shelton WA, van Setten MJ, Kowalski K, Zwijnenburg MA. Benchmarking the Fundamental Electronic Properties of small TiO2 Nanoclusters by GW and Coupled Cluster Theory Calculations. Journal of Chemical Theory and Computation. PMID 28628314 DOI: 10.1021/Acs.Jctc.7B00538  0.729
2017 Muuronen M, Parker SM, Berardo E, Le A, Zwijnenburg MA, Furche F. Mechanism of photocatalytic water oxidation on small TiO2 nanoparticles. Chemical Science. 8: 2179-2183. PMID 28507672 DOI: 10.1039/C6Sc04378J  0.756
2017 Godin R, Wang Y, Zwijnenburg MA, Tang J, Durrant JR. Time-Resolved Spectroscopic Investigation of Charge Trapping in Carbon Nitrides Photocatalysts for Hydrogen Generation. Journal of the American Chemical Society. PMID 28319382 DOI: 10.1021/Jacs.7B01547  0.384
2017 Guiglion P, Monti A, Zwijnenburg MA. Validating a Density Functional Theory Approach for Predicting the Redox Potentials Associated with Charge Carriers and Excitons in Polymeric Photocatalysts The Journal of Physical Chemistry C. 121: 1498-1506. DOI: 10.1021/Acs.Jpcc.6B11133  0.401
2017 Meier CB, Sprick RS, Monti A, Guiglion P, Lee JM, Zwijnenburg MA, Cooper AI. Structure-property relationships for covalent triazine-based frameworks: The effect of spacer length on photocatalytic hydrogen evolution from water Polymer. 126: 283-290. DOI: 10.1016/J.Polymer.2017.04.017  0.398
2017 Escher SG, Lazauskas T, Zwijnenburg MA, Woodley SM. Structure prediction of (BaO) n nanoclusters forn⩽24using an evolutionary algorithm Computational and Theoretical Chemistry. 1107: 74-81. DOI: 10.1016/J.Comptc.2017.01.010  0.347
2016 Zwijnenburg MA, Berardo E, Peveler WJ, Jelfs KE. Amine Molecular Cages as Supramolecular Fluorescent Explosive Sensors; a Computational Perspective. The Journal of Physical Chemistry. B. PMID 27149567 DOI: 10.1021/Acs.Jpcb.6B03059  0.713
2016 Guiglion P, Berardo E, Butchosa C, Wobbe MC, Zwijnenburg MA. Modelling materials for solar fuel synthesis by artificial photosynthesis; predicting the optical, electronic and redox properties of photocatalysts. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 28: 074001. PMID 26808228 DOI: 10.1088/0953-8984/28/7/074001  0.749
2016 Walsh JJ, Lee JR, Draper ER, King SM, Jäckel F, Zwijnenburg MA, Adams DJ, Cowan AJ. Controlling Visible Light Driven Photoconductivity in Self-Assembled Perylene Bisimide Structures Journal of Physical Chemistry C. 120: 18479-18486. DOI: 10.1021/Acs.Jpcc.6B06222  0.341
2016 Guiglion P, Butchosa C, Zwijnenburg MA. Polymer photocatalysts for water splitting: Insights from computational modeling Macromolecular Chemistry and Physics. 217: 344-353. DOI: 10.1002/Macp.201500432  0.36
2015 Sprick RS, Bonillo B, Clowes R, Guiglion P, Brownbill NJ, Slater BJ, Blanc F, Zwijnenburg MA, Adams DJ, Cooper AI. Visible Light-Driven Hydrogen Evolution Using Planarized Conjugated Polymer Photocatalysts. Angewandte Chemie (International Ed. in English). PMID 26696450 DOI: 10.1002/Anie.201510542  0.317
2015 Wobbe MC, Zwijnenburg MA. Chemical trends in the optical properties of rocksalt nanoparticles. Physical Chemistry Chemical Physics : Pccp. 17: 28892-900. PMID 26456027 DOI: 10.1039/C5Cp04851F  0.398
2015 Guiglion P, Zwijnenburg MA. Contrasting the optical properties of the different isomers of oligophenylene. Physical Chemistry Chemical Physics : Pccp. 17: 17854-63. PMID 26089285 DOI: 10.1039/C5Cp01916H  0.386
2015 Sprick RS, Jiang JX, Bonillo B, Ren S, Ratvijitvech T, Guiglion P, Zwijnenburg MA, Adams DJ, Cooper AI. Tunable organic photocatalysts for visible-light-driven hydrogen evolution. Journal of the American Chemical Society. 137: 3265-70. PMID 25643993 DOI: 10.1021/Ja511552K  0.386
2015 Berardo E, Zwijnenburg MA. Modeling the water splitting activity of a TiO2 rutile nanoparticle Journal of Physical Chemistry C. 119: 13384-13393. DOI: 10.1021/Acs.Jpcc.5B01512  0.753
2014 Berardo E, Hu HS, van Dam HJ, Shevlin SA, Woodley SM, Kowalski K, Zwijnenburg MA. Describing Excited State Relaxation and Localization in TiO2 Nanoparticles Using TD-DFT. Journal of Chemical Theory and Computation. 10: 5538-48. PMID 26583237 DOI: 10.1021/Ct500787X  0.756
2014 Wobbe MC, Kerridge A, Zwijnenburg MA. Optical excitation of MgO nanoparticles; a computational perspective. Physical Chemistry Chemical Physics : Pccp. 16: 22052-61. PMID 25207882 DOI: 10.1039/C4Cp03442B  0.415
2014 Berardo E, Hu HS, Shevlin SA, Woodley SM, Kowalski K, Zwijnenburg MA. Modeling Excited States in TiO2 Nanoparticles: On the Accuracy of a TD-DFT Based Description. Journal of Chemical Theory and Computation. 10: 1189-1199. PMID 24795544 DOI: 10.1021/Ct4010273  0.769
2014 Guiglion P, Butchosa C, Zwijnenburg MA. Polymeric watersplitting photocatalysts; A computational perspective on the water oxidation conundrum Journal of Materials Chemistry A. 2: 11996-12004. DOI: 10.1039/C4Ta02044H  0.345
2014 Butchosa C, Guiglion P, Zwijnenburg MA. Carbon nitride photocatalysts for water splitting: A computational perspective Journal of Physical Chemistry C. 118: 24833-24842. DOI: 10.1021/Jp507372N  0.407
2014 Butchosa C, McDonald TO, Cooper AI, Adams DJ, Zwijnenburg MA. Shining a light on s-triazine-based polymers Journal of Physical Chemistry C. 118: 4314-4324. DOI: 10.1021/Jp411854F  0.397
2014 Berardo E, Hu HS, Van Dam HJJ, Shevlin SA, Woodley SM, Kowalski K, Zwijnenburg MA. Describing excited state relaxation and localization in TiO2 nanoparticles using TD-DFT Journal of Chemical Theory and Computation. 10: 5538-5548. DOI: 10.1021/ct500787x  0.728
2013 Zwijnenburg MA, Cheng G, McDonald TO, Jelfs KE, Jiang JX, Ren S, Hasell T, Blanc F, Cooper AI, Adams DJ. Shedding Light on Structure-Property Relationships for Conjugated Microporous Polymers: The Importance of Rings and Strain. Macromolecules. 46: 7696-7704. PMID 24159243 DOI: 10.1021/Ma401311S  0.39
2013 Berardo E, Hu HS, Kowalski K, Zwijnenburg MA. Coupled cluster calculations on TiO2 nanoclusters. The Journal of Chemical Physics. 139: 064313. PMID 23947861 DOI: 10.1063/1.4817536  0.747
2013 Zwijnenburg MA. Excited state localisation cascades in inorganic semiconductor nanoparticles. Physical Chemistry Chemical Physics : Pccp. 15: 11119-27. PMID 23722444 DOI: 10.1039/C3Cp50800E  0.378
2012 Zwijnenburg MA, Illas F, Bromley ST. Long range coupling between defect centres in inorganic nanostructures: valence alternation pairs in nanoscale silica. The Journal of Chemical Physics. 137: 154313. PMID 23083171 DOI: 10.1063/1.4758461  0.336
2012 Zwijnenburg MA. Photoluminescence in semiconductor nanoparticles: an atomistic view of excited state relaxation in nanosized ZnS. Nanoscale. 4: 3711-7. PMID 22595975 DOI: 10.1039/C2Nr30191A  0.422
2012 Zwijnenburg MA. Elucidating the microscopic origin of the unique optical properties of polypyrene Journal of Physical Chemistry C. 116: 20191-20198. DOI: 10.1021/Jp305146P  0.403
2011 Zwijnenburg MA. Optical excitations in stoichiometric uncapped ZnS nanostructures Nanoscale. 3: 3780-3787. PMID 21829808 DOI: 10.1039/C1Nr10486A  0.369
2011 Zwijnenburg MA, Illas F, Bromley ST. The fate of optical excitations in small hydrated ZnS clusters: a theoretical study into the effect of hydration on the excitation and localisation of electrons in Zn4S4 and Zn6S6. Physical Chemistry Chemical Physics : Pccp. 13: 9311-7. PMID 21472177 DOI: 10.1039/C1Cp20298G  0.415
2011 Zwijnenburg MA, Sousa C, Illas F, Bromley ST. The fate of optical excitations in small polyhedral ZnS clusters: a theoretical study of the excitation and localization of electrons in Zn4S4 and Zn6S6. The Journal of Chemical Physics. 134: 064511. PMID 21322709 DOI: 10.1063/1.3536501  0.39
2011 Zwijnenburg MA, Bromley ST. Structural richness of ionic binary materials: An exploration of the energy landscape of magnesium oxide Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.024104  0.322
2011 Zwijnenburg MA, Bromley ST. Structure direction in zinc oxide and related materials by cation substitution: An analogy with zeolites Journal of Materials Chemistry. 21: 15255-15261. DOI: 10.1039/C1Jm12383A  0.331
2010 Zwijnenburg MA, Jelfs KE, Bromley ST. An extensive theoretical survey of low-density allotropy in silicon. Physical Chemistry Chemical Physics : Pccp. 12: 8505-12. PMID 20567753 DOI: 10.1039/C004375C  0.327
2009 Zwijnenburg MA, Sokol AA, Sousa C, Bromley ST. The effect of local environment on photoluminescence: A time-dependent density functional theory study of silanone groups on the surface of silica nanostructures Journal of Chemical Physics. 131. PMID 19624219 DOI: 10.1063/1.3155083  0.398
2008 Zwijnenburg MA, Corà F, Bell RG. Isomorphism of anhydrous tetrahedral halides and silicon chalcogenides: energy landscape of crystalline BeF2, BeCl2, SiO2, and SiS2. Journal of the American Chemical Society. 130: 11082-7. PMID 18651739 DOI: 10.1021/Ja8026967  0.332
2008 Zwijnenburg MA, Sousa C, Sokol AA, Bromley ST. Optical excitations of defects in realistic nanoscale silica clusters: comparing the performance of density functional theory using hybrid functionals with correlated wavefunction methods. The Journal of Chemical Physics. 129: 014706. PMID 18624495 DOI: 10.1063/1.2943147  0.38
2008 Zwijnenburg MA, Bell RG. Absence of limitations on the framework density and pore size of high-silica zeolites Chemistry of Materials. 20: 3008-3014. DOI: 10.1021/Cm702175Q  0.32
2008 Zwijnenburg MA, Corà F, Bell RG. Going beyond SiO2 and AlPO4: Stabilisation of "strained" hypothetical frameworks in exotic compositions Studies in Surface Science and Catalysis. 174: 695-700. DOI: 10.1016/S0167-2991(08)80292-3  0.323
2008 Zwijnenburg MA, Bell RG, Corà F. Structure, bonding and physical properties of tetragonal and orthorhombic SiS2 from (hybrid) DFT calculations Journal of Solid State Chemistry. 181: 2480-2487. DOI: 10.1016/J.Jssc.2008.06.006  0.361
2007 Zwijnenburg MA, Corà F, Bell RG. Dramatic differences between the energy landscapes of SiO(2) and SiS(2) zeotype materials. Journal of the American Chemical Society. 129: 12588-9. PMID 17900111 DOI: 10.1021/Ja0727666  0.341
2007 Zwijnenburg MA, Corá F, Bell RG. On the performance of DFT and interatomic potentials in predicting the energetics of (three-membered ring-containing) siliceous materials. The Journal of Physical Chemistry. B. 111: 6156-60. PMID 17497770 DOI: 10.1021/Jp071060V  0.333
2006 Van Den Berg AWC, Zwijnenburg MA, Bromley ST, Flikkema E, Bell RG, Jansen JC, Schoonman J. Comparing the influence of framework type on H2 absorption in hypothetical and existing clathrasils: A grand canonical Monte Carlo study Journal of Materials Chemistry. 16: 3285-3290. DOI: 10.1039/B604377A  0.347
2006 Zwijnenburg MA, Huenerbein R, Bell RG, Corà F. A computational study into the (tetrahedral) distortion of TX2 α-quartz materials: The effect of changing the chemical composition away from SiO2 Journal of Solid State Chemistry. 179: 3429-3436. DOI: 10.1016/J.Jssc.2006.07.011  0.336
2005 Zwijnenburg MA, Simperler A, Wells SA, Bell RG. Tetrahedral distortion and energetic packing penalty in "zeolite" frameworks: linked phenomena? The Journal of Physical Chemistry. B. 109: 14783-5. PMID 16852869 DOI: 10.1021/Jp0531309  0.31
2004 Zwijnenburg MA, Bromley ST, Foster MD, Bell RG, Delgado-Friedrichs O, Jansen JC, Maschmeyer T. Toward understanding the thermodynamic viability of zeolites and related frameworks through a simple topological model Chemistry of Materials. 16: 3809-3820. DOI: 10.1021/Cm049256K  0.345
2004 Zwijnenburg MA, Bromley ST, Jansen JC, Maschmeyer T. Toward Understanding Extra-Large-Pore Zeolite Energetics and Topology: A Polyhedral Approach Chemistry of Materials. 16: 12-20. DOI: 10.1021/Cm034132D  0.313
2004 Zwijnenburg MA, Bromley ST, Jansen JC, Maschmeyer T. Towards understanding the energetics and topology of zeolites: A polyhedral approach Studies in Surface Science and Catalysis. 154: 301-307. DOI: 10.1016/S0167-2991(04)80816-4  0.317
2004 Zwijnenburg MA, Bromley ST, Jansen JC, Maschmeyer T. Computational insights into the role of Ge in stabilising double-four ring containing zeolites Microporous and Mesoporous Materials. 73: 171-174. DOI: 10.1016/J.Micromeso.2004.05.006  0.304
2004 Zwijnenburg MA, Bromley ST, Flikkema E, Maschmeyer T. Prospects for a synthetic route towards well-defined stoichiometric silica nanoclusters: From siloxane to silica Chemical Physics Letters. 385: 389-393. DOI: 10.1016/J.Cplett.2003.12.106  0.38
2003 Bromley ST, Zwijnenburg MA, Maschmeyer T. Two-ring vibrational modes on silica surfaces investigated via fully coordinated nanoclusters Surface Science. 539: L554-L559. DOI: 10.1016/S0039-6028(03)00813-6  0.326
2002 Zwijnenburg MA, Bromley ST, Van Alsenoy C, Maschmeyer T. Factors affecting ionicity in all-silica materials: A density functional cluster study Journal of Physical Chemistry A. 106: 12376-12385. DOI: 10.1021/Jp025696S  0.355
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