High-throughput screening of polycrystalline solar absorbers (Ext.)

Search results

• 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

• 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

• 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

• 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

• 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

• 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

• 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

• 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

• 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

• Evidence for self-healing benign grain boundaries and a highly defective Sb2Se3-CdS interfacial layer in Sb2Se3 thin-film photovoltaics

  McKenna, K. P. (Creator), University of York, 2020

  DOI: 10.15124/8267f7a0-c30c-49d2-8f96-6c80e492b770

  Dataset

• 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

• 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

• 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

• 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

• 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

• 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

• 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

• 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

• 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

• Crystal structure and anti-site boundary defect characterisation in Cu2ZnSnSe4

  McKenna, K. P. (Creator), University of York, 2017

  DOI: 10.15124/c0cd73d0-ec8e-4eda-abeb-4e9dd5cd3b3f

  Dataset

• Determination of the structure and properties of an edge dislocation in rutile TiO2

  McKenna, K. P. (Creator), University of York, 2018

  DOI: 10.15124/ee8404f9-9b3d-41ec-92cc-44baf9b9382e

  Dataset