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James T. Pegg
James T. Pegg
1QBit Information Technologies
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Title
Cited by
Cited by
Year
DFT+ U study of the structures and properties of the actinide dioxides
JT Pegg, X Aparicio-Angles, M Storr, NH de Leeuw
Journal of Nuclear Materials 492, 269-278, 2017
1052017
Hidden magnetic order in plutonium dioxide nuclear fuel
JT Pegg, AE Shields, MT Storr, AS Wills, DO Scanlon, NH de Leeuw
Physical Chemistry Chemical Physics 20 (32), 20943-20951, 2018
442018
Magnetic structure of UO 2 and NpO 2 by first-principle methods
JT Pegg, AE Shields, MT Storr, AS Wills, DO Scanlon, NH De Leeuw
Physical Chemistry Chemical Physics 21 (2), 760-771, 2019
372019
Noncollinear Relativistic DFT + U Calculations of Actinide Dioxide Surfaces
JT Pegg, AE Shields, MT Storr, DO Scanlon, NH De Leeuw
The Journal of Physical Chemistry C 123 (1), 356-366, 2018
182018
The defect chemistry of non-stoichiometric PuO 2±x
WD Neilson, JT Pegg, H Steele, ST Murphy
Physical Chemistry Chemical Physics 23 (8), 4544-4554, 2021
162021
Interaction of Hydrogen with Actinide Dioxide (011) Surfaces
JT Pegg, AE Shields, MT Storr, DO Scanlon, NH de Leeuw
The Journal of Chemical Physics 153 (1), 014705, 2020
102020
Interaction of hydrogen with actinide dioxide (111) surfaces
JT Pegg, AE Shields, MT Storr, DO Scanlon, NH De Leeuw
The Journal of chemical physics 150 (13), 2019
82019
Organic cage inclusion crystals exhibiting guest-enhanced multiphoton harvesting
GH Ning, P Cui, IV Sazanovich, JT Pegg, Q Zhu, Z Pang, RJ Wei, ...
Chem 7 (11), 3157-3170, 2021
72021
A noncollinear relativistic computational study of the actinide dioxides and their interaction with hydrogen
JT Pegg
UCL (University College London), 2018
52018
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