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Marco Molinari

university of huddersfield

31H-index
155Paper Count
3.3KCitation Count
Published Papers 73
Publication Date
Infrared and Raman Signatures of Stoichiometric PuO2: A Density Functional Theory Study
err2026-05-08
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PREAI
errNatasha Lines; Robert M. Harker; Joseph M. Flitcroft; David J. Cooke; Lisa J. Gillie; Mark T. Storr; Jonathan M. Skelton; Marco Molinari
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The Catalytic Activity and Micro-Mechanisms of Reducible Metal Oxide Nanozymes in Relation to Their Antibacterial Efficacy
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IF12.1
err2026-05-07
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PREAI
errMelanie J. Coathup; Abinaya Sindu Pugazhendhi; Daniel Brown; Craig J. Neal; Khoa Minh Ta; Elayaraja Kolanthai; Bijay Dhungana; Jonathan D. Schwartzman; Marco Molinari; Sudipta Seal
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Persistent, broad-spectrum antimicrobial activity of multi-metal surface phase-modified ceria nanozymes
err2026-03-01
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errOAAI
errNeal, Craig J.; Pugazhendhi, Abinaya Sindu; Shiffer, Elisabeth M.; Fox, Candace R.; Kalyar, Muhammad Hassan Mehmood; Kolanthai, Elayaraja; Stan-Glowinska, Katarzyna; Brown, Daniel; Ta, Khao Minh; Wojewoda-Budka, Joanna; Sobczak, Natalia; Molinari, Marco; Parks, Griffith D.; Coathup, Melanie J.; Seal, Sudipta
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Impact of small-molecule adsorbates on the morphology of PuO2 nanoparticles from first-principles modelling
err2026-02-20
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PREAI
errMoxon, Samuel; Flitcroft, Joseph M.; Skelton, Jonathan M.; Gillie, Lisa J.; Cooke, David J.; Parker, Stephen C.; Molinari, Marco
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A New Family of Ternary Intermetallic Compounds with Dualistic Atomic Ordering – The ZIP Phases (Adv. Mater. 8/2026)
err2026-02-06
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errOAAI
errMatheus A. Tunes; Sean M. Drewry; Franziska Schmidt; James A. Valdez; Matthew M. Schneider; Caitlin A. Kohnert; Tarik A. Saleh; Saryu Fensin; Stuart A. Maloy; Cláudio G. Schön; Sylvain Dubois; Omri Tabo; Anna Eyal; Amit Keren; Asaf Pesach; Ganesh K. Nayak; Stavros-Richard G. Christopoulos; Marco Molinari; Marcus Hans; Nick Goossens; Shuigen Huang; Jochen M. Schneider; Per O. Å. Persson; Jozef Vleugels; Konstantina Lambrinou
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Voclosporin from Cyclosporine A: Process Optimization and Impurities Characterization
err2026-02-01
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PREAI
errRositano, Vincenzo; Arnoldi, Lolita; Molinari, Marco; Sala, Federico; Gambini, Andrea; Peterlongo, Federico; Allegrini, Pietro; Gargiulo, Ernesto; Chianese, Giuseppina; Taglialatela-Scafati, Orazio; Appendino, Giovanni; Senaldi, Luca
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Thermoelectric performance of oriented SrTiO3 nanofilms containing Σ3{111} grain boundary interfaces
err2025-10-24
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errOAAI
errNathan D. Wood; Stephen R. Yeandel; Joseph M. Flitcroft; Jonathan M. Skelton; David J. Cooke; Lisa J. Gillie; Stephen C. Parker; Marco Molinari
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Effect of strain on the adsorption of carboxylic acids on the surfaces of cerium oxide
err2025-10-10
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errOAAI
errSidra Munir; Craig J. Neal; Lisa J. Gillie; David J. Cooke; Sudipta Seal; Marco Molinari
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A New Family of Ternary Intermetallic Compounds with Dualistic Atomic Ordering – The ZIP Phases
err2025-09-10
err0
errOAAI
errMatheus A. Tunes; Sean M. Drewry; Franziska Schmidt; James A. Valdez; Matthew M. Schneider; Caitlin A. Kohnert; Tarik A. Saleh; Saryu Fensin; Stuart A. Maloy; Cláudio G. Schön; Sylvain Dubois; Omri Tabo; Anna Eyal; Amit Keren; Asaf Pesach; Ganesh K. Nayak; Stavros-Richard G. Christopoulos; Marco Molinari; Marcus Hans; Nick Goossens; Shuigen Huang; Jochen M. Schneider; Per O. Å. Persson; Jozef Vleugels; Konstantina Lambrinou
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Modelling Hydrogen Peroxide Adsorption on Cerium Dioxide: The Effect of Surface Strain
err2025-07-30
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errOAAI
errSidra Munir; Thomas Smith; Khoa Minh Ta; Lisa J Gillie; David J Cooke; Marco Molinari
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Towards modelling speciation and crystal morphology: The hydration of plutonium hydride surfaces
err2025-03-01
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errOAAI
errSmith, Thomas; Moxon, Samuel; Tse, Joshua S.; Cooke, David J.; Gillie, Lisa J.; Harker, Robert M.; Storr, Mark T.; da Silva, Estelina Lora; Molinari, Marco
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A computational high throughput search of symmetric tilt grain boundaries in cerium oxide
err2025-01-01
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errOAAI
errVigorito, Susanna; Statham, Joel M.; Tse, Joshua S.; Symington, Adam R.; Underwood, Tom L.; Watson, Graeme W.; Mobus, Guenter; Parker, Stephen C.; Gillie, Lisa J.; Cooke, David J.; Molinari, Marco
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The interaction of phosphate species with cerium oxide: The known, the ambiguous and the unexplained
err2025-01-01
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errOAAI
errTa, Khoa Minh; Neal, Craig J.; Coathup, Melanie J.; Seal, Sudipta; Phillips, Roger M.; Molinari, Marco
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Sorption of arsenate on cerium oxide: a simulated infrared and Raman spectroscopic identification
err2025-01-01
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errOAAI
errTa, Khoa Minh; Wisdom, Deyontae O.; Gillie, Lisa J.; Cooke, David J.; Zhu, Runliang; Goncalves, Mario A.; Parker, Stephen C.; Molinari, Marco
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Strain Effects on the Adsorption of Water on Cerium Dioxide Surfaces and Nanoparticles: A Modeling Outlook
err2024-10-17
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errOAAI
errMunir, Sidra; Ta, Khoa Minh; Smith, Thomas; Gillie, Lisa J.; Cooke, David J.; Parker, Stephen C.; Molinari, Marco
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Large-scale density functional theory simulations of defects and hydrogen incorporation in PuO 2
err2024-06-03
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PREAI
errAnwar, Nabeel; Harker, Robert M.; Storr, Mark T.; Molinari, Marco; Skylaris, Chris-Kriton
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A neoteric antibacterial ceria-silver nanozyme for abiotic surfaces
err2024-06-01
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errOAAI
errPugazhendhi, Abinaya Sindu; Neal, Craig J.; Ta, Khoa Minh; Molinari, Marco; Kumar, Udit; Wei, Fei; Kolanthai, Elayaraja; Ady, Andrew; Drake, Christina; Hughes, Megan; Yooseph, Shibu; Seal, Sudipta; Coathup, Melanie J.
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Grain-boundary-dependent segregation and phase separation in ceria-zirconia from atomistic simulation
err2024-06-01
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errOAAI
errUnderwood, Tom L.; Vigorito, Susanna; Molinari, Marco; Purton, John; Wilding, Nigel B.; Irvine, John T. S.; Parker, Stephen C.
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Composition-dependent morphologies of CeO2 nanoparticles in the presence of Co-adsorbed H2O and CO2: a density functional theory study
err2024-01-01
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errOAAI
errMoxon, Samuel; Symington, Adam R.; Tse, Joshua S.; Flitcroft, Joseph M.; Skelton, Jonathan M.; Gillie, Lisa J.; Cooke, David J.; Parker, Stephen C.; Molinari, Marco
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Effects of carbohydrates and sulfonates during CaO hydration on portlandite microstructure
err2024-01-01
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errOAAI
errPesce, Cecilia; Ball, Richard J.; Molinari, Marco; Reeksting, Shaun; Pesce, Giovanni Luca
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