Select Publications
Journal articles
2024, 'Cation induced changes to the structure of cryptophane cages', Dalton Transactions, 53, pp. 18473 - 18483, http://dx.doi.org/10.1039/d4dt01824a
,2024, 'Enhancing enantioselectivity in chiral metal organic framework fluorescent sensors', Inorganic Chemistry Frontiers, 11, pp. 3877 - 3888, http://dx.doi.org/10.1039/d4qi00760c
,2023, 'Thermodynamic and Kinetic Insights into Hydrogen Adsorption and Dissociation on the Ru (0001) Surface under STM and Catalytic Conditions', Journal of Physical Chemistry C, 127, pp. 23645 - 23653, http://dx.doi.org/10.1021/acs.jpcc.3c05348
,2023, 'Formulation and mechanism of copper tartrate - a novel anode material for lithium-ion batteries', Physical Chemistry Chemical Physics, 25, pp. 21436 - 21447, http://dx.doi.org/10.1039/d3cp02030d
,2023, 'Computational insights into the interaction of water with the UiO-66 metal-organic framework and its functionalized derivatives', Journal of Materials Chemistry C, 11, pp. 10247 - 10258, http://dx.doi.org/10.1039/d3tc01313h
,2023, 'Understanding the Role of Synthetic Parameters in the Defect Engineering of UiO-66: A Review and Meta-analysis', Chemistry of Materials, 35, pp. 3057 - 3072, http://dx.doi.org/10.1021/acs.chemmater.3c00215
,2023, 'Adsorption of water and organic solvents on the calcite [101¯4] surface: Implications for marble conservation treatments', Applied Surface Science, 616, http://dx.doi.org/10.1016/j.apsusc.2023.156438
,2023, 'New insights on conservation of marble artworks from computational chemistry', Materials Today: Proceedings, http://dx.doi.org/10.1016/j.matpr.2023.06.467
,2022, 'Sugar-induced self-assembly of curcumin-based polydopamine nanocapsules with high loading capacity for dual drug delivery', Nanoscale, 14, pp. 9448 - 9458, http://dx.doi.org/10.1039/d2nr01795d
,2022, 'A highly stable 1.3 V organic cathode for aqueous zinc batteries designed in-situ by solid-state electrooxidation', Energy Storage Materials, 46, pp. 129 - 137, http://dx.doi.org/10.1016/j.ensm.2022.01.004
,2021, 'Phosphate functionalised titania for heavy metal removal from acidic sulfate solutions', Journal of Colloid and Interface Science, 600, pp. 719 - 728, http://dx.doi.org/10.1016/j.jcis.2021.05.047
,2021, 'Superatomic solid solutions', Nature Chemistry, 13, pp. 607 - 613, http://dx.doi.org/10.1038/s41557-021-00680-8
,2021, 'Computational Insights into As(V) Removal from Water by the UiO-66 Metal-Organic Framework', Journal of Physical Chemistry C, 125, pp. 3157 - 3168, http://dx.doi.org/10.1021/acs.jpcc.0c09465
,2021, 'Computational Investigation of Adsorptive Removal of Pb2+from Water by the UiO-66 Metal-Organic Framework: Comparison of Adsorption Sites on Defects and Functionalised Linkers', Australian Journal of Chemistry, 75, pp. 142 - 154, http://dx.doi.org/10.1071/CH21139
,2018, 'Hydride Shuttle Formation and Reaction with CO
2018, 'Kinetic and Mechanistic Effects of Bipyridine (bpy) Substituent, Labile Ligand, and Brønsted Acid on Electrocatalytic CO
2017, 'The Role of Surface-Bound Dihydropyridine Analogues in Pyridine-Catalyzed CO
2017, 'Hydride Transfer at the GaP(110)/Solution Interface: Mechanistic Implications for CO
2016, 'Interaction of Pyridine and Water with the Reconstructed Surfaces of GaP(111) and CdTe(111) Photoelectrodes: Implications for CO
2016, 'Is the Surface Playing a Role during Pyridine-Catalyzed CO
2016, 'Cobalt (II) oxide and nickel (II) oxide alloys as potential intermediate-band semiconductors: A theoretical study', Journal of Applied Physics, 119, http://dx.doi.org/10.1063/1.4939286
,2016, 'Stability of surface protons in pyridine-catalyzed CO
2015, 'Orbital-Resolved Imaging of the Adsorbed State of Pyridine on GaP(110) Identifies Sites Susceptible to Nucleophilic Attack', Journal of Physical Chemistry C, 119, pp. 28917 - 28924, http://dx.doi.org/10.1021/acs.jpcc.5b08659
,2015, 'What Is the Role of Pyridinium in Pyridine-Catalyzed CO
2015, 'Observation of Surface-Bound Negatively Charged Hydride and Hydroxide on GaP(110) in H
2015, 'Erratum: Surface Properties of ZnS Nanoparticles: A Combined DFT and Experimental Study (Journal of Physical Chemistry C (2014) 118:41 (23853-23862) DOI: 10.1021/jp507963y)', Journal of Physical Chemistry C, 119, pp. 17493, http://dx.doi.org/10.1021/acs.jpcc.5b06468
,2015, 'Cluster Models for Studying CO
2014, 'Surface properties of ZnS nanoparticles: A combined DFT and experimental study', Journal of Physical Chemistry C, 118, pp. 23853 - 23862, http://dx.doi.org/10.1021/jp507963y
,2013, 'Prediction of electronic (hyper)polarizabilities of titania nanotubes: A DFT periodic study', Computational Materials Science, 68, pp. 280 - 286, http://dx.doi.org/10.1016/j.commatsci.2012.11.002
,2010, 'On the stability of dititanate nanotubes: A density functional theory study', Journal of Physical Chemistry C, 114, pp. 21219 - 21225, http://dx.doi.org/10.1021/jp1079185
,Conference Papers
2018, 'First-principles investigation of adsorbed hydrogenated N-heterocycles as hydride shuttles for catalytic CO2 reduction on p-GaP photoelectrodes', in ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, AMER CHEMICAL SOC, LA, New Orleans, presented at 255th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nexus of Food, Energy, and Water, LA, New Orleans, 18 March 2018 - 22 March 2018, https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000435537702099&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=891bb5ab6ba270e68a29b250adbe88d1
,2016, 'First-principles investigation of the role of pyridinium and adsorbed dihydropyridine in pyridine-catalyzed CO2 reduction on p-GaP photoelectrodes', in ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, AMER CHEMICAL SOC, https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000431903805794&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=891bb5ab6ba270e68a29b250adbe88d1
,2015, 'Pyridine-catalyzed CO2 reduction on p-GaP photoelectrodes: First-principles investigation of possible reaction mechanisms', in ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, AMER CHEMICAL SOC, https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000411186504109&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=891bb5ab6ba270e68a29b250adbe88d1
,Preprints
2023, Computational Insights into the Interaction of Water with the UiO-66 Metal-Organic Framework and Its Functionalized Derivatives, http://dx.doi.org/10.26434/chemrxiv-2023-rk8xp
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