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D

David D. O’Regan

Trinity College Dublin

23H指数
95论文数
3.1K被引数
收录论文 45
发表时间
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Self-Assembled Moiré Superlattices of Ti3C2Tx MXene for Future Twistronic Applications (Adv. Sci. 45/2025)自组装Ti3C2Tx MXene莫尔超晶格用于未来扭旋电子学应用 (Adv. Sci. 45/2025)
errAdvanced Science
IF14.1
err2025-12-04
err0
errOAAI
errKuanysh Zhussupbekov; Andrea Cabero del Hierro; Samuel Berman; Dahnan Spurling; Ainur Zhussupbekova; Stefano Ippolito; David D. O'Regan; Igor Shvets; Yury Gogotsi; Valeria Nicolosi
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Failure of Hund's J in Contemporary DFT plus U plus J: Insights from Spin-Crossover Fe(II) Complexes
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-12-01
err0
PREAI
errMacEnulty, Lorien; de Mendonca, Joao Paulo Almeida; Poloni, Roberta; O'regan, David D.
err分享
err收藏
Icing a three-layer cake for predictive modelling of adsorption三层蛋糕式吸附预测建模
errNature Chemistry
IF20.2
err2025-10-03
err0
PREAI
errDavid D. O’Regan
err分享
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Low-Energy, Ultrafast Spin Reorientation at Competing Hybrid Interfaces with Tunable Operating Temperature低能量、超快自旋重取向在竞争性杂化界面及可调工作温度下实现
errAdvanced Materials
IF26.8
err2025-08-05
err0
errOAAI
errServet Ozdemir; Matthew Rogers; Jaka Strohsack; Hari Babu Vasili; Manuel Valvidares; Thahabh Haddadi; Parvathy Harikumar; David O'Regan; Gilberto Teobaldi; Timothy Moorsom; Mannan Ali; Gavin Burnell; B J Hickey; Tomaz Mertelj; Oscar Cespedes
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Self-Assembled Moiré Superlattices of Ti3C2Tx MXene for Future Twistronic Applications用于未来扭转型应用的Ti₃C₂Tx MXene自组装莫尔超晶格
errAdvanced Science
IF14.1
err2025-07-30
err0
errOAAI
errKuanysh Zhussupbekov; Andrea Cabero del Hierro; Samuel Berman; Dahnan Spurling; Ainur Zhussupbekova; Stefano Ippolito; David D. O'Regan; Igor Shvets; Yury Gogotsi; Valeria Nicolosi
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Flat plane based double-counting free and parameter free many-body DFT plus U
errPHYSICAL REVIEW B
IF3.7
err2024-11-26
err0
PREAI
errBurgess, Andrew C.; O'Regan, David D.
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Minimum Tracking Linear Response Hubbard and Hund Corrected Density Functional Theory in CP2K
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-10-03
err1
PREAI
errChai, Ziwei; Si, Rutong; Chen, Mingyang; Teobaldi, Gilberto; O'Regan, David D.; Liu, Li-Min
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High-throughput determination of Hubbard U and Hund J values for transition metal oxides via the linear response formalism通过线性响应形式高通量测定过渡金属氧化物的Hubbard U和Hund J值
errPHYSICAL REVIEW MATERIALS
IF3.4
err2024-01-29
err35
errOAAI
errMoore, Guy C.; Horton, Matthew K.; Linscott, Edward; Ganose, Alexander M.; Siron, Martin; O'Regan, David D.; Persson, Kristin A.
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Optimization strategies developed on NiO for Heisenberg exchange coupling calculations using projector augmented wave based first-principles DFT plus U plus J
errPHYSICAL REVIEW B
IF3.7
err2023-12-14
err3
PREAI
errMacenulty, Lorien; O'Regan, David D.
err分享
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The convexity condition of density-functional theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-12-01
err8
errOAAI
errBurgess, Andrew C.; Linscott, Edward; O'Regan, David D.
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Reconciling the theoretical and experimental electronic structure of NbO2
errPHYSICAL REVIEW B
IF3.7
err2023-10-24
err5
errOAAI
errBerman, Samuel; Zhussupbekova, Ainur; Boschker, Jos E.; Schwarzkopf, Jutta; O'Regan, David D.; Shvets, Igor, V; Zhussupbekov, Kuanysh
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Monolayer Capping Provides Close to Optimal Resistance to Laser Dewetting of Au Films
errACS APPLIED ELECTRONIC MATERIALS
IF4.7
err2023-08-04
err1
errOAAI
errMurray, Christopher P. P.; Mamyraimov, Daniyar; Ali, Mugahid; Downing, Clive; Povey, Ian M. M.; McCloskey, David; O'Regan, David D. D.; Donegan, John F. F.
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Theoretical perspective on the modification of the magnetocrystalline anisotropy at molecule-cobalt interfaces
errPHYSICAL REVIEW MATERIALS
IF3.4
err2023-06-28
err5
errOAAI
errHalder, Anita; Bhandary, Sumanta; O'Regan, David D.; Sanvito, Stefano; Droghetti, Andrea
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Unraveling the atomic and electronic structure of nanocrystals on superconducting Nb(110): Impact of the oxygen monolayer
errPHYSICAL REVIEW B
IF3.7
err2023-04-27
err4
errOAAI
errBerman, Samuel; Zhussupbekova, Ainur; Walls, Brian; Walshe, Killian; Bozhko, Sergei I.; Ionov, Andrei; O'Regan, David D.; Shvets, Igor, V; Zhussupbekov, Kuanysh
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DFT plus U-type functional derived to explicitly address the flat plane condition
errPHYSICAL REVIEW B
IF3.7
err2023-03-30
err13
errOAAI
errBurgess, Andrew C.; Linscott, Edward; O'Regan, David D.
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Dynamical Screening of Local Spin Moments at Metal-Molecule Interfaces
errACS NANO
IF16
err2023-03-07
err2
errOAAI
errBhandary, Sumanta; Poli, Emiliano; Teobaldi, Gilberto; O'Regan, David D.
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Use of DFT+U+J with linear response parameters to predict non-magnetic oxide band gaps with hybrid-functional accuracy
errPHYSICAL REVIEW RESEARCH
IF4.2
err2023-03-03
err17
errOAAI
errLambert, D. S.; O'Regan, D. D.
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Electric Field Tunability of Photoluminescence from a Hybrid Peptide-Plasmonic Metal Microfabricated Chip
errJACS AU
IF8.7
err2021-10-08
err4
errOAAI
errAlmohammed, Sawsan; Orhan, Okan K.; Daly, Sorcha; O'Regan, David D.; Rodriguez, Brian J.; Casey, Eoin; Rice, James H.
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Single Indium Atoms and Few-Atom Indium Clusters Anchored onto Graphene via Silicon Heteroatoms
errACS NANO
IF16
err2021-08-19
err24
errOAAI
errElibol, Kenan; Mangler, Clemens; O'Regan, David D.; Mustonen, Kimmo; Eder, Dominik; Meyer, Jannik C.; Kotakoski, Jani; Hobbs, Richard G.; Susi, Toma; Bayer, Bernhard C.
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Surface Modification and Subsequent Fermi Density Enhancement of Bi(111)
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2021-03-05
err9
errOAAI
errZhussupbekov, Kuanysh; Walshe, Killian; Walls, Brian; Ionov, Andrei; Bozhko, Sergei, I; Ksenz, Andrei; Mozhchil, Rais N.; Zhussupbekova, Ainur; Fleischer, Karsten; Berman, Samuel; Zhilyaev, Ivan; O'Regan, David D.; Shvets, Igor, V
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