Find below a list of published articles, book chapters and books published, which is regularly updated. Alternatively, see Martijn's Google Scholar profile and Martijn's list of publication on the UCL website.
Articles:
113 Madden, E., Zwijnenburg, M.A. "The Effect of Particle Size on the Optical and Electronic Properties of Hydrogenated Silicon Nanoparticles" Phys. Chem. Chem. Phys. 2024 (DOI: 10.1039/D4CP00119B).
112 Yueng, A., Zwijnenburg, M.A., Orton, G.R.F., Robertson, J.R., Barendt, T.A. "Investigating the diastereoselective synthesis of a macrocycle under Curtin–Hammett control" Chem. Sci. 2024 (DOI: 10.1039/D3SC05715A).
111 Lyons, R.J., Yang, Y., McQueen, E., Luo, L., Cooper, A.I., Zwijnenburg, M.A., Sprick, R.S. "Polymer Photocatalysts with Side Chain Induced Planarity for Increased Activity for Sacrificial Hydrogen Production from Water" Adv. Energy Mater. 2024, 14, 2303680 (DOI: 10.1002/aenm.202303680).
110 Penty, S.E. Orton, G.R.F., Black, D.J. Pal, R., Zwijnenburg, M.A., Barendt, T.A. "A Chirally Locked Bis-perylene Diimide Macrocycle: Consequences for Chiral Self-Assembly and Circularly Polarized Luminescence" J. Am. Chem. Soc. 2024, 146, 8, 5470 (DOI: 10.1021/jacs.3c13191).
109 Liu, Z., Haque, M.A., Savory, C.N., Liu, T., Matsuishi S., Fenwick, O., Scanlon, D.O, Zwijnenburg, M.A., Baran, D., B.C., Schroeder "Controlling the thermoelectric properties of organo-metallic coordination polymers through backbone geometry" Faraday Discuss. 2024, 250, 377 (DOI: 10.1039/D3FD00139C).
108 Wang, A., Tan, R., Breakwell, C., Wei, X., Fan, Z., Ye, C., Malpass-Evans, R., Liu, T., Zwijnenburg, M.A., Jelfs, K.E., McKeown, N.B., Chen, J., Song, Q. "Solution-processable redox-active polymers of intrinsic microporosity for electrochemical energy storage" J. Am. Chem. Soc. 2022, 144, 17198 (DOI: 10.1021/jacs.2c07575).
107 Liu, L., Kochman, M., Zhao, W., Zwijnenburg, M.A., Sprick, R.S. "Linear conjugated polymer photocatalysts with various linker units for photocatalytic hydrogen evolution from water" Chem. Commun. 2022, 58,10639 (DOI: 10.1039/D2CC03810B).
106. Zwijnenburg, M.A. "The Effect of Particle Size and Composition on the Optical and Electronic Properties of CdO and CdS Rocksalt Nanoparticles" Phys. Chem. Chem. Phys. 2022, 24, 21954 (DOI:
105. Prentice, A.W., Zwijnenburg, M.A., "Exploration of the photocatalytic cycle for sacrificial hydrogen evolution by conjugated polymers containing heteroatoms" Sustain. Energy Fuels 2022, 6, 3756 (DOI: 10.1039/D1SE02032C).
104. Penty, S.E., Zwijnenburg, M.A., Orton, G.R.F., Stachelek, P., Pal, R., Xie, Y. Griffin, S.L. Barendt, T.A. "The Pink Box: Exclusive Homochiral Aromatic Stacking in a Bis-perylene Diimide Macrocycle" J. Am. Chem. Soc. 2022, 144, 27, 12290 (DOI: 10.1021/jacs.2c03531).
103. Bai, Y., Li., C., Liu, L., Yamaguchi, Y., Mounib, B., Yang, H., Gardner, A., Zwijnenburg, M.A., Browning, N., Cowan, A., Kudo, A., Cooper, A., Sprick, R.S., "Photocatalytic overall water splitting under visible light enabled by a particulate conjugated polymer loaded with iridium" Angew. Chem. Int. Ed. 2022, 61, e202201299(DOI: 10.1002/anie.202201299).
102. Saunders, B., Wilbraham, L., Prentice, A.W., Sprick, R.S., Zwijnenburg, M.A., "The potential scarcity, or not, of polymeric overall water splitting photocatalysts" Sustain. Energy Fuels 2022, 6, 2233 (DOI: 10.1039/D2SE00027J).
101. Piercy, V.L., Saeed, KH., Prentice, A.W., Neri, G., Li, C., Gardner, M., Bai, Y., Sprick, R.S., Sazanovich, I.V., Cooper, A.I., Rosseinsky, M.J., Zwijnenburg, M.A., Cowan, A.J., Time-resolved Raman spectroscopy of polaron formation in a polymer photocatalyst, J. Phys. Chem . Lett. 2021, 12, 10899 (DOI:10.1021/acs.jpclett.1c03073).
100. Zwijnenburg, M.A. "The effect of particle size on the optical and electronic properties of magnesium oxide nanoparticles" Phys. Chem. Chem. Phys. 2021, 23, 21579 (DOI: 10.1039/d1cp02683f).
99. Liu, L., Kochman, M., Xu, Y., Zwijnenburg, M.A., Cooper, A.I., Sprick, R.S. "Acetylene-linked conjugated polymers for sacrificial photocatalytic hydrogen evolution from water" J. Mater. Chem. A 2021, 9, 17242. (DOI: 10.1039/D1TA04288B).
98. Bai, Y., Wilbraham, L., Gao, H., Clowes, R., Yang, H., Zwijnenburg, M.A., Cooper, A.I., Sprick, R.S. "Photocatalytic polymers of intrinsic microporosity for hydrogen production from water" J. Mater. Chem. A. 2021, 9, 19958 (DOI: 10.1039/D1TA03098A).
97. Prentice, A.W., Zwijnenburg, M.A. "The Role of Computational Chemistry in Discovering and Understanding Organic Photocatalysts for Renewable Fuel Synthesis" Adv. Energy Mater. 2021, 11, 2100709 (DOI: 10.1002/aenm.202100709).
96. Prentice, A.W., Zwijnenburg, M.A. "Hydrogen Evolution by Polymer Photocatalysts; a Possible Photocatalytic Cycle" Sustain. Energy Fuels 2021 , 5, 2622 (DOI: 10.1039/D1SE00059D).
95. Fu, Z., Vogel, A., Zwijnenburg, M.A., Cooper, A.I., Sprick, R.S. "Photocatalytic syngas production using conjugated organic polymers" J. Mater. Chem. A. 2021, 9, 4291-4296(DOI: 10.1039/D0TA09613J).
94. Heath-Apostolopoulos, I., Vargas-Ortiz, D., Wilbraham, L., Jelfs, K.E., Zwijnenburg, M.A. "Using high-throughput virtual screening to explore the optoelectronic property space of organic dyes; finding diketopyrrolopyrrole dyes for dye-sensitized water splitting and solar cells" Sustain. Energy Fuels 2021 , 5, 704-719 (DOI: 10.1039/D0SE00985G).
93. Hall, C.L., Guo, R., Potticary, J., Cremeens, M.E., Warre, S.D., Andrusenko, I., Gemmi, M., Zwijnenburg, M.A., Sparkes, H.A., Pridmore, N.E., Price, S.L., Hall, S.R. "Color Differences Highlight Concomitant Polymorphism of Chalcones" Cryst, Growth. Des. 2020, 20, 6346–6355 (DOI: 10.1021/acs.cgd.0c00285).
92. Aitchison, C.M., Sachs, M., Little, M.A., Wilbraham, L., Brownbill, N.J., Kane, C.M., Blanc, F., Zwijnenburg, M.A., Durrant, J.R., Sprick, R.S., Cooper, A.I. "Structure–activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water" Chem. Sci. 2020, 11, 8744 (DOI: 10.1039/D0SC02675A).
91. Sprick, R.S., Chen, Z., Cowan, A.J., Bai, Y., Aitchison, C.M., Fang, Y., Zwijnenburg, M.A., Cooper, A.I., Wang, X. "Water oxidation with cobalt‐loaded linear conjugated polymer photocatalysts" Angew. Chem. Int. Ed. 2020, 59, 18695-18700 (DOI: 10.1002/anie.202008000).
90. Liu, Z., Liu, T., Savory. C.N., Jurado, J.P., Reparaz, J.S., Li, J., Pan, L., Faul, C.F., Parkin, I.P., Sankar, G., Matsuishi, S., Campoy‐Quiles, M., Scanlon, D.O., Zwijnenburg, M.A., Fenwick, O., Schroeder, B.C. "Controlling the Thermoelectric Properties of Organometallic Coordination Polymers via Ligand Design" Adv. Funct. Mater. 2020, 30, 2003106 (DOI: 10.1002/adfm.202003106).
89. Woods, D.J., Hillman, S., Pearce, D., Wilbraham, L., Flagg, L., Duffy, W., Mcculloch, I., Durrant, J., Guilbert, A., Zwijnenburg, M., Sprick, R.S, Nelson, J., Cooper, A.I. "Side-chain tuning in conjugated polymer photocatalysts for improved hydrogen production from water" Energy Envron. Sci. 2020, 13, 1843-1855 (DOI: 10.1039/D0EE01213K).
88. Bai, Y., Woods, D.J., Wilbraham, L., Aitchison, C.M., Zwijnenburg, M.A., Sprick, R.S., Cooper, A.I. "Hydrogen evolution from water using heteroatom substituted fluorene conjugated co-polymers" J. Mater. Chem. A 2020, 8, 8700 (DOI: 10.1039/D0TA02599B).
87. Aitchison, C.M., Kane, C., McMahon, D.P., Spackman, P.R., Pulido, A., Wang, X., Wilbraham, L., Chen, L.J., Clowes, R., Zwijnenburg, M.A., Sprick, R.S., Little, M.A., Day, G.M., Cooper, A.I. "Photocatalytic Proton Reduction by a Computationally Identified, Molecular Hydrogen-Bonded Framework" J. Mater. Chem. A 2020, 8, 7158 (DOI: 10.1039/D0TA00219D).
86. Yuan, Q., Santana-Bonilla, A., Zwijnenburg, M.A., Jelfs, K.E. "Molecular Generation Targeting Desired Electronic Properties via Deep Generative Models" Nanoscale 2020, 12, 6744 (DOI: 10.1039/C9NR10687A).
85. Wilbraham, L., Smalji, D., Heath-Apostolopoulos, I., Zwijnenburg, M.A., "Mapping the optoelectronic property space of small aromatic molecules" Comm. Chem. 2020, 3, 14 (DOI: 10.1038/s42004-020-0256-7)
84. Meier, C.B., Clowes, R., Berardo, E., Jelfs. K.E., Zwijnenburg, M.A., Sprick, R.S., Cooper, A.I. "Structurally Diverse Covalent Triazine-based Framework Materials for Photocatalytic Hydrogen Evolution from Water" Chem. Mater. 2019 , 31, 8830 (DOI: 10.1021/acs.chemmater.9b02825)
83. Wang, Y., Vogel, A., Sachs, M., Sprick, R.S., Wilbraham, L., Moniz, S.J.A., Godin, R., Zwijnenburg, M.A., Durrant, J.R., Cooper, A.I., Tang, J. "Current understanding and challenges of solar-driven hydrogen generation using polymeric photocatalysts" Nat. Energy 2019 , 4, 746 (DOI: 10.1038/s41560-019-0456-5).
82. Draper, E.A., Wilbraham, L., Adams, D.J. Wallace, M., Zwijnenburg, M.A. "Insight into the Self-Assembly of Water-Soluble Perylene Bisimide Derivatives Through a Combined Computational and Experimental Approach" Nanoscale 2019, 11, 15917 (DOI: 10.1039/C9NR03898A).
81. Abe, R. et al. "Demonstrator devices for artificial photosynthesis: general discussion" Faraday Discuss., 2019, 215, 345 (DOI: 10.1039/C9FD90023C).
80. Aitchison, C.M. et al. "Synthetic approaches to artificial photosynthesis: general discussion" Faraday Discuss., 2019, 215, 242 (DOI: 10.1039/C9FD90024A).
79. Bai, Y., Wilbraham, L., Slater, B.J., Zwijnenburg, M.A., Sprick, R.S., Cooper, A.I., "Accelerated discovery of organic polymer photocatalysts for hydrogen evolution from water through the integration of experiment and theory" J. Am. Chem. Soc. 2019, 141, 9063 (DOI: 10.1021/jacs.9b03591).
78. Wilbraham, L., Sprick, R.S., Jelfs, K.E., Zwijnenburg, M.A., "Mapping Binary Copolymer Property Space with Neural Networks" Chem. Sci. 2019, 10, 4973 (DOI: 10.1039/C8SC05710A).
77. Vogel, A., Forster, M., Wilbraham, L., Smith, C., Cowan, A., Zwijnenburg, M.A., Sprick, R.S., Cooper, A.I., "Photocatalytically Active Ladder Polymers" Faraday Discuss., 2019, 215, 84 (DOI: 10.1039/C8FD00197A).
76. Heath-Apostolopoulos, I., Wilbraham, L., Zwijnenburg, M.A. "Computational High-throughput Screening of Polymeric Photocatalysts: Exploring the Effect of Composition, Sequence Isomerism and Conformational Degrees of Freedom" Faraday Discuss., 2019, 215, 98 (DOI: 10.1039/C8FD00171E).
75. Sprick, R.S., Bai, Y., Guilbert, A.A.Y., Zbiri, M., Aitchison, C.M., Wilbraham, L., Yan, Y., Woods, D.J., Zwijnenburg, M.A., Cooper, A.I., "Photocatalytic Hydrogen Evolution from Water Using Fluorene and Dibenzothiophene Sulfone-Conjugated Microporous and Linear Polymers" Chem. Mater. 2019, 31, 305 (DOI: 10.1021/acs.chemmater.8b02833).
74. Sachs, M. Sprick, R.S., Pearce, D., Hillman, S.A.J., Monti, A., Guilbert, A.A.Y., Brownbill, N.J. Dimitrov, S., Shi, X. Blanc,, F. Zwijnenburg, M.A., Nelson J., Durrant J.R., Cooper, A.I. "Understanding structure-activity relationships in linear polymer photocatalysts for hydrogen evolution" Nat. Commun. 2018, 9, 4968 (DOI: 10.1038/s41467-018-07420-6).
73. Wang, X., Chen, L., Chong, S.Y., Little, M.A., Wu, Y., Zhu, W.H.; Clowes, R.; Yan, Y., Zwijnenburg, M.A., Sprick, R.S., Cooper, A.I, "Sulfone containing covalent organic frameworks for photocatalytic hydrogen evolution from water" Nat. Chem. 2018, 10, 1180 (DOI: 10.1038/s41557-018-0141-5).
72. Sprick, R.S., Wilbraham, L., Bai, Y., Guiglion, P., Monti, A., Clowes, R., Cooper, A.I., Zwijnenburg, M.A., "Nitrogen containing linear poly(phenylene) derivatives for photo-catalytic hydrogen evolution from water" Chem. Mater. 2018, 30, 5733 (DOI: 10.1021/acs.chemmater.8b02501).
71. Wilbraham, L., Berardo, E., Turcani, L., Jelfs. K., Zwijnenburg, M.A., "A High-Throughput Screening Approach for the Optoelectronic Properties of Conjugated Polymers" J. Chem. Inf. Model. 2018 , 58, 2450 (DOI: 10.1021/acs.jcim.8b00256).
70. Sprick, R.S., Aitchison, C.M., Berardo, E., Turcani, L., Wilbraham, L., Alston, B.M., Jelfs, K.E., Zwijnenburg, M.A., Cooper, A.I, "Maximising the hydrogen evolution activity in organic photocatalysts by co-polymerisation" J. Mater. Chem. A 2018, 6, 11994 (DOI: 10.1039/C8TA04186E)
69. Sprick, R.S., Bonillo, B., Clowes, R., Guiglion, P., Brownbill, N.J., Slater, B.J. Blanc, F., Zwijnenburg, M.A., Adams, D.J., Cooper, A.I. “Corrigendum: Visible-Light-Driven Hydrogen Evolution Using Planarized Conjugated Polymer Photocatalysts” Angew. Chem. Int. Ed. 2018, 57, 2520 (DOI: 10.1002/anie.201800571).
68. Escher, S. G. E. T., Lazauskas, T., Zwijnenburg, M. A., Woodley, S. M., “Synthesis Target Structures for Alkaline Earth Oxide Clusters” Inorganics, 2018, 6, 29 (DOI: 10.3390/inorganics6010029).
67. Draper, E. R., Archibald, L.J.., Nolan, M.C., Zwijnenburg, M. A., Sproules, S., Adams, D. J., “Controlling Photoconductivity in PBI Films by Supramolecular Assembly” Chem. Eur. J., 2018, 24, 4006 (DOI: 10.1002/chem.201800201).
66. Berardo, E., Kaplan, F., Bhaskaran-Nair, K., Shelton, W. A., van Setten, M. J., Kowalski, K., Zwijnenburg, M. A., “Benchmarking the Fundamental Electronic Properties of small TiO2 Nanoclusters by GW and Coupled Cluster Theory Calculations” J. Chem. Theo. Comput. 2017, 13, 3814 (DOI:10.1021/acs.jctc.7b00538).
65. Meier, C. B., Sprick, R. S., Monti, A., Guiglion, P., Lee, J. S. M., Zwijnenburg, M. A., Cooper, A. I., “Structure-property relationships for covalent triazine-based frameworks: The effect of spacer length on photocatalytic hydrogen evolution from water” Polymer 2017, 126, 283 (DOI: 10.1016/j.polymer.2017.04.017).
64. Escher, S. G. E. T., Lazauskas, T., Zwijnenburg, M. A., Woodley, S. M., “Structure prediction of (BaO)n nanoclusters for n⩽24 using an evolutionary algorithm” Comp. Theor. Chem., 2017, 1107, 74 (DOI: 10.1016/j.comptc.2017.01.010).
63. Draper, E. R., Greeves, B. J., Barrow, M., Schweins, R., Zwijnenburg, M. A., Adams, D. J., “pH-Directed Aggregation to Control Photoconductivity in Self-Assembled Perylene Bisimides” Chem, 2017, 2, 716 (DOI: 10.1016/j.chempr.2017.03.022).
62. Godin, R., Wang, Y., Zwijnenburg, M. A., Tang, J., Durrant, J. R., “Time-Resolved Spectroscopic Investigation of Charge Trapping in Carbon Nitrides Photocatalysts for Hydrogen Generation” J. Am. Chem. Soc., 2017, 139, 5216 (DOI: 10.1021/jacs.7b01547).
61. Guiglion, P., Monti, A., Zwijnenburg, M. A., “Validating a Density Functional Theory Approach for Predicting the Redox Potentials Associated with Charge Carriers and Excitons in Polymeric Photocatalysts” J. Phys. Chem. C, 2017, 121, 1498 (DOI: 10.1021/acs.jpcc.6b11133).
60. Muuronen, M., Parker, S.M., Berardo, E., Le, A., Zwijnenburg, M.A., Furche, F. “Mechanism of photocatalytic water oxidation on small TiO2 nanoparticles” Chem. Sci. 2017 8, 2179 (DOI: 10.1039/c6sc04378j).
59. Draper, E.R., Schweins, R., Akhtar, R., Groves, P., Chechik, V., Zwijnenburg, M.A., Adams, D.J. “Reversible Photoreduction as a Trigger for Photoresponsive Gels” Chem. Mater. 2016, 28, 6336 (DOI: 10.1021/acs.chemmater.6b02677).
58. Walsh, J.J., Lee, J.R., Draper, E.R., King, S.M., Jäckel, F., Zwijnenburg, M.A., Adams, D.J., Cowan, A.J. “Controlling Visible Light Driven Photoconductivity in Self-Assembled Perylene Bisimide Structures” J. Phys. Chem. C 2016, 120, 18479 (DOI: 10.1021/acs.jpcc.6b06222).
57. Zwijnenburg, M.A., Berardo, E., Peveler, W.J., Jelfs, K.E. “Amine Molecular Cages as Supramolecular Fluorescent Explosive Sensors: A Computational Perspective” J. Phys. Chem. B 2016, 120, 5063 (DOI: 10.1021/acs.jpcb.6b03059).
56. Guiglion, P., Berardo, E., Butchosa, C., Wobbe, M.C.C., Zwijnenburg, M.A. “Modelling materials for solar fuel synthesis by artificial photosynthesis; predicting the optical, electronic and redox properties of photocatalysts” J. Phys. Condens. Matter. 2016, 28, 074001 (DOI: 10.1088/0953-8984/28/7/074001).
55. Guiglion, P., Butchosa C., Zwijnenburg, M.A. “Polymer Photocatalysts for Water Splitting: Insights from Computational Modeling” Macromol. Chem. Phys. 2016, 217, 344 (DOI: 10.1002/macp.201500432).
54. Sprick, R.S., Bonillo, B., Clowes, R., Guiglion, P., Brownbill, N.J., Slater, B.J. Blanc, F., Zwijnenburg, M.A., Adams, D.J., Cooper, A.I. “Visible-Light-Driven Hydrogen Evolution Using Planarized Conjugated Polymer Photocatalysts” Angew. Chem. Int. Ed. 2016, 55, 1824 (DOI: 10.1002/anie.201510542).
53. Sprick, R.S., Jiang, J.X., Bonillo, B., Ren, S.J., Ratvijitvech, T. Guiglion, P., Zwijnenburg, M.A., Adams, D.J., Cooper, A.I. “Tunable Organic Photocatalysts for Visible-Light-Driven Hydrogen Evolution” J. Am. Chem. Soc. 2015, 137, 3265 (DOI: 10.1021/ja511552k).
52. Wobbe, M.C.C., Zwijnenburg, M.A. “Chemical trends in the optical properties of rocksalt nanoparticles” Phys. Chem. Chem. Phys. 2015, 17, 28892 (DOI: 10.1039/c5cp04851f).
51. Guiglion, P., Zwijnenburg, M.A. “Contrasting the optical properties of the different isomers of oligophenylene” Phys. Chem. Chem. Phys. 2015, 17, 17854 (DOI: 10.1039/c5cp01916h).
50. Berardo, E., Zwijnenburg, M.A. “Modeling the Water Splitting Activity of a TiO2 Rutile Nanoparticle” J. Phys. Chem. C 2015, 119, 13384 (DOI: 10.1021/acs.jpcc.5b01512).
49. Berardo E., Hu H.S., van Dam H.J.J., Shevlin S., Woodley S.M., Kowalski K., Zwijnenburg, M.A. “Describing excited state relaxation and localisation in TiO2 nanoparticles using TD-DFT” J. Chem. Theory Comput. 2014, 10, 5538 (doi: 10.1021/ct500787x).
48. Butchosa C., Guiglion P., Zwijnenburg M.A. “Carbon Nitride Photocatalysts for Watersplitting; a Computational Perspective” J. Phys. Chem. C 2014, 118, 24833 (DOI: 10.1021/jp507372n).
47. Wobbe M.C.C., Kerridge A.K., Zwijnenburg M.A. “Optical excitation of MgO nanoparticles; a computational perspective” Phys. Chem. Chem. Phys. 2014, 16, 22052 (DOI: 10.1039/c4cp03442b).
46. Guiglion P., Butchosa C., Zwijnenburg M.A. “Polymeric watersplitting photocatalysts; a computational perspective on the water oxidation conundrum” J. Mater. Chem A. 2014, 2, 11996 (DOI: 10.1039/c4ta02044h).
45. Draper E.R., Walsh J.J., McDonald, T.O., Zwijnenburg, M.A., Cameron, P.J., Cowan, A.J., Adams, D.J. “Air-stable photoconductive films formed from perylene bisimide gelators” J. Mater. Chem. C 2014, 2, 5570 (DOI: 10.1039/c4tc00744a).
44. Berardo E., Hu H.S., Shevlin S., Woodley S.M., Kowalski K., Zwijnenburg, M.A. “Modeling Excited States in TiO2 Nanoparticles: On the Accuracy of a TD-DFT Based Description” J. Chem. Theory Comput. 2014, 10, 1189 (DOI: 10.1021/ct4010273).
43. Butchosa C. McDonald T.O., Cooper A.I., Adams D.J., Zwijnenburg M.A. “Shining a Light on s-Triazine-Based Polymers” J. Phys. Chem. C 2014, 118, 4314 DOI: 10.1021/jp411854f).
42. Zwijnenburg M. A., Cheng G., McDonald T. O., Jelfs K. E., Jiang J.X., Ren S., Hasell T., Blanc F., Cooper A.I., Adams, D.J. “Shedding Light on Structure-Property Relationships for Conjugated Microporous Polymers: The Importance of Rings and Strain” Marcomolecules 2013, 46, 7696-7704 (DOI: 10.1021/ma401311s).
41. Zwijnenburg, M.A. “Excited state localisation cascades in inorganic semiconductor nanoparticles” Phys. Chem. Chem. Phys. 2013, 15, 11119 (DOI: 10.1039/c3cp50800e).
40. Berardo E., Hu H.S., Kowalski K., Zwijnenburg, M.A. “Coupled cluster calculations on TiO2 nanoclusters” J. Chem. Phys. 2013, 139, 064313 (DOI: 10.1063/1.4817536).
39. Zwijnenburg M.A., F. Illas, Bromley S.T. “Long range coupling between defect centres in inorganic nanostructures: valence alternation pairs in nanoscale silica” J. Chem. Phys., 2012, 137, 154313 (DOI: 10.1063/1.4758461).
38. Zwijnenburg M.A. “Elucidating the microscopic origin of the unique optical properties of polypyrene” J. Phys. Chem. C, 2012, 116, 20191 (DOI: 10.1021/jp305146p).
37. Zwijnenburg M.A. “Photoluminescence in semiconductor nanoparticles: an atomistic view of excited state relaxation in nanosized ZnS” Nanoscale, 2012, 4, 3711 (DOI: 10.1039/c2nr30191a).
36. Zwijnenburg M.A., Bromley S.T. “Structure direction in zinc oxide and related materials by cation substitution: an analogy with zeolites” J. Mater. Chem. 2011, 21, 15255 (DOI: 10.1039/c1jm12383a).
35. Zwijnenburg M.A. “Optical excitations in stoichiometric uncapped ZnS nanostructures” Nanoscale, 2011, 9, 3780 (DOI: 10.1039/c1nr10486a).
34. Zwijnenburg M.A., Illas F., Bromley S.T. “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” Phys. Chem. Chem. Phys. 2011, 13, 9311 (DOI: 10.1039/c1cp20298g).
33. Zwijnenburg M.A., Bromley S.T. “Structural richness of ionic binary materials: An exploration of the energy landscape of magnesium oxide” Phys. Rev. B 2011, 83, 024104 (DOI: 10.1103/PhysRevB.83.024104).
32. Zwijnenburg M.A., Sousa C, Illas F., Bromley S.T. “The fate of optical excitations in small polyhedral ZnS clusters: A theoretical study of the excitation and localization of electrons in Zn4S4 and Zn6S6” J. Chem. Phys. 2011, 134, 064511 (DOI: 10.1063/1.3536501).
31. Zwijnenburg M.A., Bromley S.T. “Zeolite synthesis: an energetic perspective” Phys. Chem. Chem. Phys. 2010, 12, 14579 (DOI: 10.1039/c0cp01045f).
30. Zwijnenburg M.A., Jelfs K.E., Bromley S.T. “An extensive theoretical survey of low-density allotropy in silicon” Phys. Chem. Chem. Phys. 2010, 12, 8505 (DOI: 10.1039/c004375c).
29. Tribello G.A., Slater B., Zwijnenburg M.A., Bell R.G. “Isomorphism between ice and silica” Phys. Chem. Chem. Phys. 2010, 12, 8597 (DOI: 10.1039/b916367k).
28. Zwijnenburg M.A., Illas F., Bromley S.T. “Apparent Scarcity of Low-Density Polymorphs of Inorganic Solids” Phys. Rev. Lett. 2010, 104, 175503 (DOI: 10.1103/PhysRevLett.104.175503).
27. Zwijnenburg M.A., Sokol A.A., Sousa C., Bromley S.T. “The Effect of Local Environment on Photoluminescence: a TD-DFT study of Silanone Groups on the Surface of Silica Nanostructures” J. Chem. Phys. 2009, 131, 034705.
26. Zwijnenburg M.A., Bell R.G., Corà F. “Structure, bonding and physical properties of tetragonal and orthorhombic SiS2 from (hybrid) DFT calculations” J. Solid State Chem. 2008, 118, 2480.
25. Zwijnenburg M.A., Corà F., Bell R.G. “Isomorphism of Anhydrous Tetrahedral Halides and Silicon Chalcogenides: Energy Landscape of Crystalline BeF2, BeCl2, SiO2, and SiS2” J. Am. Chem. Soc. 2008, 130, 11082.
24. Zwijnenburg M.A., Sousa C., Sokol A.A., Bromley S.T. “Optical excitations of defects in realistic nanoscale silica clusters: Comparing the performance of density functional theory using hybrid functionals with correlated wavefunction methods” J. Chem. Phys. 2008, 129, 014706.
23. Zwijnenburg M.A., Bell R.G. “Absence of limitations on the framework density and pore size of high-silica zeolites” Chem. Mater. 2008, 20, 3008.
22. Zwijnenburg M.A., Sokol A.A., Sousa, C.A., Bromley S.T. T. “Modelling excitations in nanosized silica” in “Science and supercomputing in Europe; report 2007” Albeigo, P., Erbacci E, Garafalo F., Monfardini S. (Eds.), p319-322, CINECA Conzorzio Interuniversitario, Bolagna, Italy, 2008 (ISBN 978-88-86037-21-1).
21. Zwijnenburg M.A., Corà F., Bell R.G. “Going beyond SiO2 and AlPO4: Stabilisation of “strained” hypothetical frameworks in exotic compositions” Stud. Surf. Sci. Catal. 2008, 174, 695.
20. Zwijnenburg M.A., Corà F., Bell R.G. “Dramatic differences between the energy landscapes of SiO2 and SiS2 zeotype materials” J. Am. Chem. Soc. 2007, 129, 12588.
19. Zwijnenburg M.A., Corà F., R.G. Bell “On the performance of DFT and interatomic potentials in predicting the energetics of (3-membered ring containing) siliceous materials” J. Phys. Chem. B 2007, 111, 6156.
18. Massüger L., Baerlocher C., McCusker L.B., Zwijnenburg M.A. “Synthesis and structure analysis of the layered silicate DLM-2” Microporous Mesoporous Mater. 2007, 105, 75.
17. Zwijnenburg M.A., Bell R.G. “Observation of the effect of chemical composition on framework-type preference” Stud. Surf. Sci. Catal. 2007, 170, 1705.
16. Zwijnenburg M.A., Huenerbein R., Bell R.G., Corà F. “A computational study into the (tetrahedral) distortion of TX2 a-quartz materials: The effect of changing the chemical composition away from SiO2” J. Solid State Chem. 2006, 179, 3429.
15. van den Berg AWC, Zwijnenburg M.A., Bromley S.T., Flikkema E., Bell R.G., Jansen J.C., Schoonman J. “Comparing the influence of framework type on H2 adsorption in hypothetical and existing clathrasils: a grand canonical Monte Carlo study” J. Mater. Chem. 2006, 16, 3285.
14. Wojdel J.C., Zwijnenburg M.A., Bromley S.T. “Magic silica clusters as nanoscale building blocks for super-(tris)tetrahedral materials” Chem. Mater. 2006, 18, 1464.
13. Zwijnenburg M.A., Simperler A., Wells S.A., Bell R.G. “Tetrahedral distortion and energetic packing penalty in “zeolite” frameworks: linked phenomena?” J. Phys. Chem. B 2005, 109, 14783.
12. Zwijnenburg M.A., Bromley S.T., Jansen J.C., Maschmeyer T. “Towards understanding the energetics of zeolitic materials” Advances in Science and Technology 2005, 43, 103.
11. Bromley S.T., Flikkema E., Zwijnenburg M.A. “Fully coordinated silica nanoclusters: building blocks for novel materials” Advances in Science and Technology 2005, 44, 277.
10. Zwijnenburg M.A., Bromley S.T., Foster M.D., Bell R.G., Delgado-Friedrichs O., Jansen J.C., Maschmeyer T. “Towards understanding the thermodynamic viability of Zeolites and related frameworks through a simple topological model” Chem. Mater. 2004, 16, 3809.
9. van de Water L.G.A., Zwijnenburg M.A., van der Waal J.C., Sloof W.G., Jansen J.C., Maschmeyer T. “The effect of Ge incorporation on the framework acidity of ZSM‑5” Chem. Phys. Chem. 2004, 5, 1328.
8. Zwijnenburg M.A., Bromley S.T., Jansen J.C., Maschmeyer T. “Computational insights into the role of Ge in stabilising double-four ring containing zeolites” Microporous Mesoporous Mater. 2004, 73, 171.
7. Zwijnenburg M.A., Bromley S.T., Flikkema E., Maschmeyer T. “Prospects for a synthetic route towards well-defined silica nanoclusters: from siloxane to silica” Chem. Phys. Lett. 2004, 385, 389.
6. Bromley S.T., Zwijnenburg M.A., Flikkema E., Maschmeyer T. “Reply: Fully coordinated SiO2 nanoclusters as materials building blocks: the importance of stability and reactivity” Phys. Rev. Lett. 2004, 92, 039602.
5. Zwijnenburg M.A., Bromley S.T., Jansen J.C., Maschmeyer T. “Towards understanding Zeolite Energetics and Topology: a Polyhedral Approach” Chem. Mater. 2004, 16, 12.
4. Zwijnenburg M.A., Bromley S.T., Jansen J.C., Maschmeyer T. “Towards understanding the energetics and topology of zeolites, a polyhedral approach” Stud. Surf. Sci. Catal. 2004, 154, 301.
3. Bromley S.T., Zwijnenburg M.A., Maschmeyer T. “Two-ring vibrational modes on silica surfaces investigated via fully coordinated nanoclusters” Surf. Sci. 2003, 539, L544.
2. Bromley S.T., Zwijnenburg M.A., Maschmeyer T. “Fully coordinated silica nanoclusters: (SiO2)N molecular rings” Phys. Rev. Lett. 2003, 90, 035502.
1. Zwijnenburg M.A, Bromley S.T., Van Alsenoy C., Maschmeyer T. “Factors affecting the ionicity in all-silica materials: a density functional cluster study” J. Phys. Chem. A 2003, 106, 12376.
Book chapters:
Berardo E., Zwijnenburg M.A. “Electronic and Optical Properties” in “Computational Modeling of Inorganic Nanomaterials” Zwijnenburg M.A., Bromley S.T. (Eds.), CRC Press, Boca Raton, US, 2016 (ISBN 978-14-66576-41-4).
Bennett, S., Tarzia, A., Zwijnenburg, M.A., Jelfs, K.E. "Artificial Intelligence Applied to the Prediction of Organic Materials" in "Machine Learning in Chemistry: The Impact of Artificial Intelligence" Cartwright, H., Royal Society of Chemistry, UK, 2020 (ISBN 978-1-78801-789-3).
Books edited:
“Computational Modeling of Inorganic Nanomaterials” Zwijnenburg M.A., Bromley S.T. (Eds.), CRC Press, Boca Raton, US, 2016 (ISBN 978-14-66576-41-4).