Items where authors include "McKenna, Keith P."

Article

Zhu, An-Yu, Ding, Rui-Xue, Xu, Hao-Ting et al. (2 more authors) (2024) Cu–Zn Cation Disorder in Kesterite Cu2ZnSn(SxSe1–x)4 Solar Cells. ACS Energy Letters. pp. 497-503. ISSN 2380-8195

Sarcan, Fahrettin, Armstrong, Alex J., Bostan, Yusuf K. et al. (4 more authors) (2023) Ultraviolet-Ozone Treatment : an Effective Method for Fine-Tuning Optical and Electrical Properties of Suspended and Substrate-Supported MoS2. Nanomaterials. 3034. ISSN 2079-4991

Rothmann, Mathias Uller, Lohmann, Kilian B., Borchert, Juliane et al. (4 more authors) (2023) Atomistic Understanding of the Coherent Interface Between Lead Iodide Perovskite and Lead Iodide. Advanced materials interfaces. ISSN 2196-7350

Quirk, James A. and McKenna, Keith P. orcid.org/0000-0003-0975-3626 (2023) Small-polaron mediated recombination in titanium dioxide from first principles. Physical Review Research. 023072. ISSN 2643-1564

Hao, Ning Jing, Ding, Rui Xue, Tong, Chuan Jia et al. (1 more author) (2023) Heterogeneity of grain boundary properties in Cu2ZnSnS4 : A first-principles study. Journal of Applied Physics. 145002. ISSN 1089-7550

Korolev, Vadim V., Bean, Jonathan J., Nevolin, Yurii M. et al. (3 more authors) (2022) Comparing Five and Lower-Dimensional Grain Boundary Character and Energy Distributions in Copper : Experiment and Molecular Statics Simulation. Metallurgical and Materials Transactions A: Physical Metallurgy and Materials Science. pp. 449-459. ISSN 1073-5623

Carey, John J., Quirk, James A. and McKenna, Keith P. orcid.org/0000-0003-0975-3626 (2021) Hole Polaron Migration in Bulk Phases of TiO2 Using Hybrid Density Functional Theory. Journal of Physical Chemistry C. pp. 12441-12450. ISSN 1932-7455

Quirk, James A., Lazarov, Vlado K. orcid.org/0000-0002-4314-6865 and McKenna, Keith P. orcid.org/0000-0003-0975-3626 (2019) Electronic Properties of {112} and {110} Twin Boundaries in Anatase TiO2. Advanced Theory and Simulations. ISSN 2513-0390

Tong, Chuanjia and McKenna, Keith P. orcid.org/0000-0003-0975-3626 (2019) Passivating Grain Boundaries in Polycrystalline CdTe. Journal of Physical Chemistry C. pp. 23882-23889. ISSN 1932-7455

Hung, Shih-Hsuan and McKenna, Keith P. orcid.org/0000-0003-0975-3626 (2019) First Principles Investigation of the Structure and Properties of Au Nanoparticles Supported on ZnO. Journal of Physical Chemistry C. ISSN 1932-7455

Maras, Emile, Saito, Mitsuhiro, Inoue, Kazutoshi et al. (3 more authors) (2019) Determination of the structure and properties of an edge dislocation in rutile TiO2. Acta Materialia. pp. 199-207. ISSN 1359-6454

McKenna, Keith P. orcid.org/0000-0003-0975-3626 (2018) Electronic Properties of {111} Twin Boundaries in a Mixed-Ion Lead Halide Perovskite Solar Absorber. ACS Energy Letters. pp. 2663-2668. ISSN 2380-8195

Carey, John J and McKenna, Keith P. orcid.org/0000-0003-0975-3626 (2018) Does Polaronic Self-Trapping Occur at Anatase TiO2 Surfaces? Journal of Physical Chemistry C. 27540–27553. ISSN 1932-7455

Gholhaki, Saeed, Hung, Shih-Hsuan, Cant, David J. H. et al. (5 more authors) (2018) Exposure of mass-selected bimetallic Pt–Ti nanoalloys to oxygen explored using scanning transmission electron microscopy and density functional theory. RSC Advances. pp. 27276-27282. ISSN 2046-2069

McKenna, Keith P. orcid.org/0000-0003-0975-3626 (2018) Structure, electronic properties, and oxygen incorporation/diffusion characteristics of the Σ 5 TiN(310)[001] tilt grain boundary. Journal of Applied Physics. p. 75301. ISSN 1089-7550

Hung, Shih-Hsuan and McKenna, Keith P. orcid.org/0000-0003-0975-3626 (2018) First-Principles Investigation of Titanium Nanoparticle Oxidation. Journal of Physical Chemistry C. pp. 3107-3114. ISSN 1932-7455

McKenna, Keith P. orcid.org/0000-0003-0975-3626 (2016) Effect of polaronic charge transfer on band alignment at the Cu/TiO2 interface. Physical Review B. 155147. pp. 1-5. ISSN 2469-9969

Bean, Jonathan J. and McKenna, Keith P. orcid.org/0000-0003-0975-3626 (2016) Origin of differences in the excess volume of copper and nickel grain boundaries. Acta Materialia. pp. 246-257. ISSN 1359-6454

McKenna, Keith P. orcid.org/0000-0003-0975-3626, Hofer, Florian, Gilks, Daniel et al. (4 more authors) (2014) Atomic-scale structure and properties of highly stable antiphase boundary defects in Fe3O4. Nature Communications. 5740. ISSN 2041-1723