Select Publications

Book Chapters

Oppong-Antwi L; Hart JN, 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

Rahimi K; Rawal A; Zhu YF; Hart JN; Lovell EC; Scott J, 2024, 'Defect engineering in SnO2 catalysts for the organic oxidation reaction', Applied Catalysis B: Environmental, 359, http://dx.doi.org/10.1016/j.apcatb.2024.124515

Oppong-Antwi L; Gunawan D; Toe CY; Yao Y; Valanoor N; Hart JN, 2024, 'CuxS films as photoelectrodes for visible-light water splitting', Materials Science in Semiconductor Processing, 184, http://dx.doi.org/10.1016/j.mssp.2024.108833

Shahmiri R; Standard OC; Hart JN; Gharagozlu N; Bahmanrokh G; Yin Y; Mofarah SS; Adabifiroozjaei E; Webster R; Sorrell CC, 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

Guan P; Min J; Zhang S; Lu Y; Liang T; Meng L; Yuan Y; Zhou Y; Chen F; Zhou L; Feng Z; Liu C; Hu Y; Li Z; Wan T; Liu Y; Hart JN; Chu D, 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

Al-Farsi M; Cutini M; Allan NL; Hart JN, 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

Liu Z; Ma H; Sorrell CC; Koshy P; Wang B; Hart JN, 2024, 'Enhancement of light absorption and oxygen vacancy formation in CeO2 by transition metal doping: A DFT study', Applied Catalysis A: General, 670, http://dx.doi.org/10.1016/j.apcata.2023.119544

Gunawan M; Zhou S; Gunawan D; Zhang Q; Hart JN; Amal R; Scott J; Valanoor N; Toe CY, 2024, 'Ferroelectric materials as photoelectrocatalysts: photoelectrode design rationale and strategies', Journal of Materials Chemistry A, http://dx.doi.org/10.1039/d4ta07812h

Guan P; Min J; Chen F; Zhang S; Zhu Y; Liu C; Hu Y; Wan T; Li M; Liu Y; Su D; Hart JN; Li Z; Chu D, 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

Oppong-Antwi L; Huang B; Hart JN, 2023, 'Electronic Properties of Transition and Alkaline Earth Metal Doped CuS: A DFT Study', ChemPhysChem, 24, http://dx.doi.org/10.1002/cphc.202300417

Guan P; Min J; Chen F; Zhang S; Hu L; Ma Z; Han Z; Zhou L; Jia H; Liu Y; Sharma N; Su D; Hart JN; Wan T; Chu D, 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

Shahmiri R; Standard OC; Hart JN; Bahmanrokh G; Yin Y; Samiee A; Gharagozlu N; Sorrell CC, 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

Kurnia F; Scott JA; Valanoor N; Hart JN, 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

Jiang J; Huang B; Daiyan R; Subhash B; Tsounis C; Ma Z; Han C; Zhao Y; Effendi LH; Gallington LC; Hart JN; Scott JA; Bedford NM, 2022, 'Defective Sn-Zn perovskites through bio-directed routes for modulating CO2RR', Nano Energy, 101, http://dx.doi.org/10.1016/j.nanoen.2022.107593

Østrøm I; Hossain MA; Burr PA; Hart JN; Hoex B, 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

Ma H; Liu Z; Koshy P; Sorrell CC; Hart JN, 2022, 'Density Functional Theory Investigation of the Biocatalytic Mechanisms of pH-Driven Biomimetic Behavior in CeO2', ACS Applied Materials and Interfaces, 14, pp. 11937 - 11949, http://dx.doi.org/10.1021/acsami.1c24686

Sun J; Yamaguchi D; Tang L; Periasamy S; Ma H; Hart JN; Chiang K, 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

Allan NL; Conejeros S; Hart JN; Mohn CE, 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

Musavigharavi P; Kurnia F; Xie L; Park CKY; Ng YH; He J; Hart JN; Valanoor N, 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

Dawkins RC; Wen D; Hart JN; Vepsäläinen M, 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

Lu X; Chen W; Yao Y; Wen X; Hart JN; Tsounis C; Ying Toe C; Scott J; Ng YH, 2021, 'Photogenerated charge dynamics of CdS nanorods with spatially distributed MoS2 for photocatalytic hydrogen generation', Chemical Engineering Journal, 420, http://dx.doi.org/10.1016/j.cej.2020.127709

Zhou S; Sun K; Huang J; Lu X; Xie B; Zhang D; Hart JN; Toe CY; Hao X; Amal R, 2021, 'Accelerating Electron-Transfer and Tuning Product Selectivity Through Surficial Vacancy Engineering on CZTS/CdS for Photoelectrochemical CO2 Reduction', Small, 17, http://dx.doi.org/10.1002/smll.202100496

Kurnia F; Seidel J; Hart JN; Valanoor N, 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

Conejeros S; Othman MZ; Croot A; Hart JN; O'Donnell KM; May PW; Allan NL, 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

Sun J; Lu X; Wu KH; Hou J; Fang R; Hart JN; Zhu S; Chen V; Amal R; Wang DW, 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

Liu M; Lu X; Nothling MD; Doherty CM; Zu L; Hart JN; Webley PA; Jin J; Fu Q; Qiao GG, 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

Daiyan R; Lovell EC; Huang B; Zubair M; Leverett J; Zhang Q; Lim S; Horlyck J; Tang J; Lu X; Kalantar-Zadeh K; Hart JN; Bedford NM; Amal R, 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

Lu X; Hart JN; Yao Y; Toe CY; Scott J; Ng YH, 2020, 'Cu2O photocatalyst: Activity enhancement driven by concave surface', Materials Today Energy, 16, http://dx.doi.org/10.1016/j.mtener.2020.100422

Liu Z; Menéndez C; Shenoy J; Hart JN; Sorrell CC; Cazorla C, 2020, 'Strain engineering of oxide thin films for photocatalytic applications', Nano Energy, 72, http://dx.doi.org/10.1016/j.nanoen.2020.104732

Dawkins RC; Vepsalainen M; Hart JN, 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

Wu H; Zheng Z; Toe CY; Wen X; Hart JN; Amal R; Ng YH, 2020, 'A pulse electrodeposited amorphous tunnel layer stabilises Cu2O for efficient photoelectrochemical water splitting under visible-light irradiation', Journal of Materials Chemistry A, 8, pp. 5638 - 5646, http://dx.doi.org/10.1039/d0ta00629g

Lu X; Toe CY; Ji F; Chen W; Wen X; Wong RJ; Seidel J; Scott J; Hart JN; Ng YH, 2020, 'Light-Induced Formation of MoO xS y Clusters on CdS Nanorods as Cocatalyst for Enhanced Hydrogen Evolution', ACS Applied Materials and Interfaces, 12, pp. 8324 - 8332, http://dx.doi.org/10.1021/acsami.9b21810

Ma H; Ren H; Koshy P; Sorrell CC; Hart JN, 2020, 'Enhancement of CeO2 Silanization by Spontaneous Breakage of Si-O Bonds through Facet Engineering', Journal of Physical Chemistry C, 124, pp. 2644 - 2655, http://dx.doi.org/10.1021/acs.jpcc.9b08406

Huang B; Hart JN, 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

Gharavi PSM; Xie L; Webster RF; Park CKY; Ng YH; He J; Hart JN; Valanoor N, 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

Saputera WH; Tahini HA; Sabsabi M; Tan TH; Bedford NM; Lovell E; Cui Y; Hart JN; Friedmann D; Smith SC; Amal R; Scott J, 2019, 'Light-Induced Synergistic Multidefect Sites on TiO2/SiO2 Composites for Catalytic Dehydrogenation', ACS Catalysis, 9, pp. 2674 - 2684, http://dx.doi.org/10.1021/acscatal.8b04891

Shenoy J; Hart JN; Grau-Crespo R; Allan NL; Cazorla C, 2019, 'Mixing Thermodynamics and Photocatalytic Properties of GaP–ZnS solid solutions', Advanced Theory and Simulations, 2, http://dx.doi.org/10.1002/adts.201800146

Ren H; Dittrich T; Ma H; Hart JN; Fengler S; Chen S; Li Y; Wang Y; Cao F; Schieda M; Ng YH; Xie Z; Bo X; Koshy P; Sheppard LR; Zhao C; Sorrell CC, 2019, 'Manipulation of Charge Transport by Metallic V 13 O 16 Decorated on Bismuth Vanadate Photoelectrochemical Catalyst', Advanced Materials, 31, http://dx.doi.org/10.1002/adma.201807204

Park CK; Gharavi PSM; Kurnia F; Zhang Q; Toe CY; Al-Farsi M; Allan NL; Yao Y; Xie L; He J; Ng YH; Valanoor N; Hart JN, 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

Allan NL; Thomas L; Hart JN; Freeman CL; Mohn CE, 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

Liu Z; Sorrell CC; Koshy P; Hart JN, 2019, 'DFT Study of Methanol Adsorption on Defect-Free CeO2 Low-Index Surfaces', ChemPhysChem, 20, pp. 2074 - 2081, http://dx.doi.org/10.1002/cphc.201900583

Conejeros S; Allan NL; Claeyssens F; Hart JN, 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

Chua S; Fang R; Sun Z; Wu M; Gu Z; Wang Y; Hart JN; Sharma N; Li F; Wang DW, 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

Chung HY; Chen W; Wen X; Hart JN; Wu H; Lai Y; Amal R; Ng YH, 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

Wu X; Hart JN; Wen X; Wang L; Du Y; Dou SX; Ng YH; Amal R; Scott J, 2018, 'Improving the Photo-Oxidative Performance of Bi2MoO6 by Harnessing the Synergy between Spatial Charge Separation and Rational Co-Catalyst Deposition', ACS Applied Materials and Interfaces, 10, pp. 9342 - 9352, http://dx.doi.org/10.1021/acsami.7b17856

Allan NL; Dale HJA; Hart JN; Claeyssens F, 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

Kwong WL; Koshy P; Hart JN; Xu W; Sorrell CC, 2018, 'Critical role of {002} preferred orientation on electronic band structure of electrodeposited monoclinic WO3 thin films', Sustainable Energy and Fuels, 2, pp. 2224 - 2236, http://dx.doi.org/10.1039/c8se00239h

Adabifiroozjaei E; Hart JN; Koshy P; Mitchell DRG; Sorrell CC, 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

Shahmiri R; Standard OC; Hart JN; Sorrell CC, 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

Liu Z; Li X; Mayyas M; Koshy P; Hart JN; Sorrell CC, 2018, 'Planar-dependent oxygen vacancy concentrations in photocatalytic CeO2 nanoparticles', CrystEngComm, 20, pp. 204 - 212, http://dx.doi.org/10.1039/c7ce01634d


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