Datasets
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Grain-Boundary Structural Relaxation in Sb2Se3 Thin-Film Photovoltaics
McKenna, K. P. (Creator), University of York, Feb 2024
DOI: 10.15124/e53d5eaa-169b-48da-a3d1-34697c964f8c
Dataset
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Post-Synthetic Silver Ion and Sulfurization Treatment for Enhanced Performance in Sb2Se3 Water Splitting Photocathodes
McKenna, K. P. (Creator), University of York, 7 Dec 2023
DOI: 10.15124/cff061d7-92fe-47db-b78c-22122bbff4af
Dataset
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Directional dependence of band gap modulation via uniaxial strain in MoS2 and TiS3
McKenna, K. P. (Supervisor), Wang, Y. (Supervisor) & Armstrong, A. J. (Creator), University of York, 2023
DOI: 10.15124/64336e27-8a4f-43d3-b71f-7574c4a0183e
Dataset
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Small-Polaron Mediated Recombination in Titanium Dioxide from First Principles
McKenna, K. P. (Supervisor) & Quirk, J. (Creator), University of York, 21 Mar 2023
DOI: 10.15124/79206dfb-5781-4cfd-b6da-7736b92478b7
Dataset
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Unveiling the Electronic Structure of Grain Boundaries in Anatase with Electron Microscopy and First-Principles Modelling
McKenna, K. P. (Supervisor) & Quirk, J. (Creator), University of York, 2021
DOI: 10.15124/af2d144a-8b00-4808-85a0-0cef636098cc
Dataset
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Structure and Electronic Properties of Domain Walls and Stacking Fault Defects in Prospective Photoferroic Materials Bournonite and Enargite
McKenna, K. P. (Creator) & Richards-Hlabangana, T. (Creator), University of York, 18 Oct 2022
DOI: 10.15124/ed070510-2d98-4720-9087-6b86454bc4f9
Dataset
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Heterogeneity of Grain Boundary Properties in Cu2ZnSnS4: A First-Principles Study
McKenna, K. P. (Supervisor) & Tong, C. (Creator), University of York, 17 Mar 2023
DOI: 10.15124/32bf9075-80ee-4f08-b93c-53f2398d7c84
Dataset
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Controlling the formation of conductive pathways in memristive devices
McKenna, K. P. (Creator), University of York, 2021
DOI: 10.15124/4e3a8812-6c31-4a46-96ca-3b70db96521e
Dataset
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Hole polaron migration in bulk phases of TiO2 using hybrid density functional theory
McKenna, K. P. (Creator) & Carey, J. J. (Creator), University of York, 2021
DOI: 10.15124/2aab01bf-bde7-4ec0-a410-1cfa092ca822
Dataset
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First-Principles Modelling of Oxygen-Deficient Anatase TiO2 Nanoparticles
Quirk, J. (Creator) & McKenna, K. P. (Supervisor), University of York, 2020
DOI: 10.15124/971aeb5a-44d6-408c-b091-a5040ff18286
Dataset
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Self-Healing of Broken Bonds and Deep Gap States in Sb2Se3 and Sb2S3
McKenna, K. P. (Creator), University of York, 10 Dec 2020
DOI: 10.15124/3232bc8b-416b-4494-96d5-4b2df882f605
Dataset
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Forming-Free Grain Boundary Engineered Hafnium Oxide Resistive Random Access Memory Devices
McKenna, K. P. (Creator), University of York, 2019
DOI: 10.15124/ddd777f1-0e57-41dc-b843-449d7268e617
Dataset
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Density Functional Theory and Experimental Determination of Band 2 Gaps and Lattice Parameters in Kesterite Cu2ZnSn(SxSe1−x)4
McKenna, K. P. (Supervisor) & Tong, C. (Creator), University of York, Nov 2020
DOI: 10.15124/2ff09fde-8c57-4ecf-8195-d8c1462f8cad
Dataset
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First principles investigation of the structure and properties of Au nanoparticles supported on ZnO
McKenna, K. P. (Supervisor) & Hung, S. (Creator), University of York, 2019
DOI: 10.15124/e4abc92f-2363-4b8e-b5ca-f77c0e9e5967
Dataset
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First principles investigation of Y2O3-doped HfO2
McKenna, K. P. (Supervisor) & Padilha, C. (Creator), University of York, 2019
DOI: 10.15124/6af02367-39f8-4577-bcd9-4bd7bd0f9e77
Dataset
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Electronic properties of {111} twin boundaries in a mixed-ion lead halide perovskite solar absorber
McKenna, K. P. (Creator), University of York, 2018
DOI: 10.15124/774b3572-7f18-48e2-ac90-6b95a261d016
Dataset
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Electronic Properties of {112} and {110} Twin Boundaries in Anatase TiO2
McKenna, K. P. (Supervisor) & Quirk, J. A. (Creator), University of York, 2019
DOI: 10.15124/dc471795-666c-4759-bd85-6b7ecce0925d
Dataset
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Screening Doping Strategies to Mitigate Electron Self-trapping at Anatase TiO2 Surfaces
McKenna, K. P. (Supervisor) & Carey, J. J. (Creator), University of York, 2019
DOI: 10.15124/9e4896c6-8198-46de-a40b-b3585912ceac
Dataset
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Passivating Grain Boundaries in Polycrystalline CdTe
McKenna, K. P. (Supervisor) & Tong, C. (Creator), University of York, 2019
DOI: 10.15124/be7b3fcb-b7d9-424e-9766-cbfc01430745
Dataset
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Rubbing Powders: Direct Spectroscopic Observation of Triboinduced Oxygen Radical Formation in MgO Nanocube Ensembles
McKenna, K. P. (Creator), University of York, 2021
DOI: 10.15124/27de324f-6b7c-46f7-bba2-ff3a4cd82131
Dataset
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Antiphase Boundaries in Truncated Octahedron-shaped Zn-doped Magnetite Nanocrystals
McKenna, K. P. (Creator), University of York, 2018
DOI: 10.15124/2e0bb3d7-df75-4712-bac0-1a8c52b5a698
Dataset
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First principles modelling of polaron formation in TiO2 polymorphs
McKenna, K. P. (Supervisor) & El-Maslmane, A. R. (Creator), University of York, 2018
DOI: 10.15124/d76beb18-028e-41e6-9215-4e1fbb881579
Dataset
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Stability of point defects near MgO grain boundaries in FeCoB/MgO/FeCoB magnetic tunnel junctions
McKenna, K. P. (Supervisor) & Bean, J. (Creator), University of Cambridge, 2018
DOI: 10.17863/CAM.33542
Dataset
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Does Polaronic Self-Trapping Occur at Anatase TiO2 Surfaces?
Carey, J. J. (Creator) & McKenna, K. P. (Supervisor), University of York, 2018
DOI: 10.15124/4792e0b0-1ce5-42bc-869e-94f55dca3d33
Dataset