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Tara Boland
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Atomic scale characterization of fluxional cation behavior on nanoparticle surfaces: probing oxygen vacancy creation/annihilation at surface sites
EL Lawrence, BDA Levin, T Boland, SLY Chang, PA Crozier
ACS nano 15 (2), 2624-2634, 2021
272021
GPAW: An open Python package for electronic structure calculations
JJ Mortensen, AH Larsen, M Kuisma, AV Ivanov, A Taghizadeh, ...
The Journal of Chemical Physics 160 (9), 2024
172024
Computational synthesis of 2D materials: A high-throughput approach to materials design
TM Boland, AK Singh
Computational Materials Science 207, 111238, 2022
112022
Atomic-resolution mapping of localized phonon modes at grain boundaries
B Haas, TM Boland, C Elsässer, AK Singh, K March, J Barthel, CT Koch, ...
Nano letters 23 (13), 5975-5980, 2023
102023
Impact of Aliovalent Alkaline-Earth metal solutes on Ceria Grain Boundaries: A density functional theory study
TM Boland, P Rez, PA Crozier, AK Singh
Acta Materialia 205, 116481, 2021
82021
Identification of rapid oxygen exchange through site-dependent cationic displacements on CeO2 nanoparticles
EL Lawrence, BDA Levin, TM Boland, SLY Chang, PA Crozier
Microscopy and Microanalysis 24 (S1), 54-55, 2018
72018
Anomalous phase transition behavior in hydrothermal grown layered tellurene
H Li, K Wu, S Yang, T Boland, B Chen, AK Singh, S Tongay
Nanoscale 11 (42), 20245-20251, 2019
52019
Localized Phonon Densities of States at Grain Boundaries in Silicon
P Rez, T Boland, C Elsässer, A Singh
Microscopy and Microanalysis 28 (3), 672-679, 2022
32022
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange
M Evans, J Bergsma, A Merkys, C Andersen, OB Andersson, D Beltrán, ...
Digital Discovery, 2024
22024
Interpreting Cation Displacements and Image Motifs Associated with the Oxygen Exchange Reaction on CeO2 Nanoparticles
T Boland, E Lawrence, BDA Levin, P Rez, PA Crozier
Microscopy and Microanalysis 24 (S1), 144-145, 2018
12018
GPAW: open Python package for electronic-structure calculations
J Jørgen Mortensen, A Hjorth Larsen, M Kuisma, AV Ivanov, ...
arXiv e-prints, arXiv: 2310.14776, 2023
2023
Reconstructing Lattice Vibrations of Crystals with Electron Ptychography
A Gladyshev, B Haas, TM Boland, P Rez, CT Koch
arXiv preprint arXiv:2309.12017, 2023
2023
Atomic Resolution Mapping of Localized Phonon Modes in Silicon Grain Boundaries
B Haas, TM Boland, C Elsässer, AK Singh, K March, J Barthel, CT Koch, ...
Microscopy and Microanalysis 29 (Supplement_1), 618-619, 2023
2023
Atomic Level Strain Induced by Static and Dynamic Oxygen Vacancies on Reducible Oxide Surfaces
P Haluai, TM Boland, EL Lawrence, PA Crozier
Available at SSRN 4464681, 2023
2023
High-throughput Identification of Stable 2D Janus-Bulk Material Heterostructures
A Singh, T Boland
Bulletin of the American Physical Society 67, 2022
2022
High-throughput Identification of Stable 2D Janus-Bulk Materials Heterostructures
T Boland, A Singh
APS March Meeting Abstracts 2022, G47. 003, 2022
2022
An Atomic Level Study of Localized Strain Fields on Multiple Low-Index Ceria (CeO2) Nanoparticle Surfaces
P Haluai, EL Lawrence, T Boland, P Crozier
Microscopy and Microanalysis 27 (S1), 2918-2920, 2021
2021
Assessment of Grain Boundary Compositional Effects in Concentrated Ceramic Oxides
T Boland, P Rez, P Crozier, A Singh
APS March Meeting Abstracts 2021, B61. 001, 2021
2021
Linking Nanoscale Grain Boundary Composition and Energetic Properties in Ceramic Oxides
T Boland, A Singh, P Rez, P Crozier
Bulletin of the American Physical Society 65, 2020
2020
Quantifying Structural Transformations from Redox Reactions in TiO2
B Shindel, P Haluai, Q Liu, BDA Levin, T Boland, PA Crozier
Microscopy and Microanalysis 25 (S2), 1476-1477, 2019
2019
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Articles 1–20