Select Publications
Book Chapters
2023, 'DFT Study of CuS-ZnS Heterostructures', in Minerals, Metals and Materials Series, pp. 39 - 50, http://dx.doi.org/10.1007/978-3-031-22638-0_4
,Journal articles
2024, 'Defect engineering in SnO
2024, 'Cu
2024, 'Role of 3Y-TZP grain boundaries in glazing and layering', Dental Materials, 40, pp. 2148 - 2156, http://dx.doi.org/10.1016/j.dental.2024.10.005
,2024, 'Stabilizing High-Voltage Performance of Nickel-Rich Cathodes via Facile Solvothermally Synthesized Niobium-Doped Strontium Titanate', ACS Applied Materials and Interfaces, 16, pp. 26167 - 26181, http://dx.doi.org/10.1021/acsami.4c02691
,2024, 'Indirect control of band gaps by manipulating local atomic environments using solid solutions and co-doping', JPhys Materials, 7, http://dx.doi.org/10.1088/2515-7639/ad3c92
,2024, 'Enhancement of light absorption and oxygen vacancy formation in CeO
2024, 'Ferroelectric materials as photoelectrocatalysts: photoelectrode design rationale and strategies', Journal of Materials Chemistry A, http://dx.doi.org/10.1039/d4ta07812h
,2023, 'Dual-modification of Ni-rich cathode materials through strontium titanate coating and thermal treatment', Journal of Colloid and Interface Science, 652, pp. 1184 - 1196, http://dx.doi.org/10.1016/j.jcis.2023.08.101
,2023, 'Electronic Properties of Transition and Alkaline Earth Metal Doped CuS: A DFT Study', ChemPhysChem, 24, http://dx.doi.org/10.1002/cphc.202300417
,2023, 'Enhancing the Electrochemical Properties of Nickel-Rich Cathode by Surface Coating with Defect-Rich Strontium Titanate', ACS Applied Materials and Interfaces, 15, pp. 29308 - 29320, http://dx.doi.org/10.1021/acsami.3c04344
,2023, 'Critical effects of thermal processing conditions on grain size and microstructure of dental Y-TZP during layering and glazing', Journal of Materials Science, 58, pp. 3854 - 3878, http://dx.doi.org/10.1007/s10853-023-08227-7
,2022, 'A review of non-oxide semiconductors for photoelectrochemical water splitting', Journal of Materials Chemistry C, 11, pp. 802 - 826, http://dx.doi.org/10.1039/d2tc02533g
,2022, 'Defective Sn-Zn perovskites through bio-directed routes for modulating CO
2022, 'Designing 3d metal oxides: selecting optimal density functionals for strongly correlated materials', Physical Chemistry Chemical Physics, 24, pp. 14119 - 14139, http://dx.doi.org/10.1039/d2cp01303g
,2022, 'Density Functional Theory Investigation of the Biocatalytic Mechanisms of pH-Driven Biomimetic Behavior in CeO
2022, 'Enhancement of oxygen exchanging capability by loading a small amount of ruthenium over ceria-zirconia on dry reforming of methane', Advanced Powder Technology, 33, http://dx.doi.org/10.1016/j.apt.2021.103407
,2021, 'Energy landscapes of perfect and defective solids: from structure prediction to ion conduction', Theoretical Chemistry Accounts, 140, http://dx.doi.org/10.1007/s00214-021-02834-w
,2021, 'ZnS-GaP Solid Solution Thin Films with Enhanced Visible-Light Photocurrent', ACS Applied Energy Materials, 4, pp. 10756 - 10761, http://dx.doi.org/10.1021/acsaem.1c01733
,2021, 'A screen-printed Ag/AgCl reference electrode with long-term stability for electroanalytical applications', Electrochimica Acta, 393, http://dx.doi.org/10.1016/j.electacta.2021.139043
,2021, 'Photogenerated charge dynamics of CdS nanorods with spatially distributed MoS
2021, 'Accelerating Electron-Transfer and Tuning Product Selectivity Through Surficial Vacancy Engineering on CZTS/CdS for Photoelectrochemical CO
2021, 'Optical Tuning of Resistance Switching in Polycrystalline Gallium Phosphide Thin Films', Journal of Physical Chemistry Letters, 12, pp. 2327 - 2333, http://dx.doi.org/10.1021/acs.jpclett.1c00163
,2021, 'Hunting the elusive shallow n-type donor – An ab initio study of Li and N co-doped diamond', Carbon, 171, pp. 857 - 868, http://dx.doi.org/10.1016/j.carbon.2020.09.065
,2020, 'Dynamic single-site polysulfide immobilization in long-range disorder Cu-MOFs', Chemical Communications, 56, pp. 10074 - 10077, http://dx.doi.org/10.1039/d0cc04001k
,2020, 'Physical Aging Investigations of a Spirobisindane-Locked Polymer of Intrinsic Microporosity', ACS Materials Letters, 2, pp. 993 - 998, http://dx.doi.org/10.1021/acsmaterialslett.0c00184
,2020, 'Uncovering Atomic-Scale Stability and Reactivity in Engineered Zinc Oxide Electrocatalysts for Controllable Syngas Production', Advanced Energy Materials, 10, http://dx.doi.org/10.1002/aenm.202001381
,2020, 'Cu
2020, 'Strain engineering of oxide thin films for photocatalytic applications', Nano Energy, 72, http://dx.doi.org/10.1016/j.nanoen.2020.104732
,2020, 'Composite Ag/AgCl/KCl Screen-Printed Reference Electrode', ECS Meeting Abstracts, MA2020-01, pp. 2568 - 2568, http://dx.doi.org/10.1149/ma2020-01452568mtgabs
,2020, 'A pulse electrodeposited amorphous tunnel layer stabilises Cu
2020, 'Light-Induced Formation of MoO
2020, 'Enhancement of CeO
2020, 'DFT study of various tungstates for photocatalytic water splitting', Physical Chemistry Chemical Physics, 22, pp. 1727 - 1737, http://dx.doi.org/10.1039/c9cp05944j
,2019, 'Interfacial origins of visible-light photocatalytic activity in ZnS–GaP multilayers', Acta Materialia, 181, pp. 139 - 147, http://dx.doi.org/10.1016/j.actamat.2019.09.041
,2019, 'Light-Induced Synergistic Multidefect Sites on TiO
2019, 'Mixing Thermodynamics and Photocatalytic Properties of GaP–ZnS solid solutions', Advanced Theory and Simulations, 2, http://dx.doi.org/10.1002/adts.201800146
,2019, 'Manipulation of Charge Transport by Metallic V
2019, 'GaP-ZnS Multilayer Films: Visible-Light Photoelectrodes by Interface Engineering', Journal of Physical Chemistry C, 123, pp. 3336 - 3342, http://dx.doi.org/10.1021/acs.jpcc.8b10797
,2019, 'Calcite–magnesite solid solutions: using genetic algorithms to understand non-ideality', Physics and Chemistry of Minerals, 46, pp. 193 - 202, http://dx.doi.org/10.1007/s00269-018-0997-3
,2019, 'DFT Study of Methanol Adsorption on Defect-Free CeO
2019, 'Graphene and novel graphitic ZnO and ZnS nanofilms: The energy landscape, non-stoichiometry and water dissociation', Nanoscale Advances, 1, pp. 1924 - 1935, http://dx.doi.org/10.1039/c8na00155c
,2018, 'Hybrid Solid Polymer Electrolytes with Two-Dimensional Inorganic Nanofillers', Chemistry - A European Journal, 24, pp. 18180 - 18203, http://dx.doi.org/10.1002/chem.201804781
,2018, 'Oxygen-deficient bismuth tungstate and bismuth oxide composite photoanode with improved photostability', Science Bulletin, 63, pp. 990 - 996, http://dx.doi.org/10.1016/j.scib.2018.06.012
,2018, 'Improving the Photo-Oxidative Performance of Bi
2018, 'Adventures in boron chemistry-the prediction of novel ultra-flexible boron oxide frameworks', Faraday Discussions, 211, pp. 569 - 591, http://dx.doi.org/10.1039/c8fd00052b
,2018, 'Critical role of {002} preferred orientation on electronic band structure of electrodeposited monoclinic WO
2018, 'Mullite-glass and mullite-mullite interfaces: Analysis by molecular dynamics (MD) simulation and high-resolution TEM', Journal of the American Ceramic Society, 101, pp. 428 - 439, http://dx.doi.org/10.1111/jace.15169
,2018, 'Optical properties of zirconia ceramics for esthetic dental restorations: A systematic review', Journal of Prosthetic Dentistry, 119, pp. 36 - 46, http://dx.doi.org/10.1016/j.prosdent.2017.07.009
,2018, 'Planar-dependent oxygen vacancy concentrations in photocatalytic CeO