Výsledky vyhledávání - "David D O’Regan"

Single Indium Atoms and Few-Atom Indium Clusters Anchored onto Graphene via Silicon Heteroatoms

Autor: David D. O'Regan, Richard G. Hobbs, Bernhard C. Bayer, Jannik C. Meyer, Jani Kotakoski, Clemens Mangler, Toma Susi, Kenan Elibol, Kimmo Mustonen, Dominik Eder

Publikováno v: ACS Nano

Single atoms and few-atom nanoclusters are of high interest in catalysis and plasmonics, but pathways for their fabrication and stable placement remain scarce. We report here the self-assembly of room-temperature-stable single indium (In) atoms and f

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b97c361319d17a816f19ae27ee1f0fd8
https://doi.org/10.1021/acsnano.1c03535

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Surface Modification and Subsequent Fermi Density Enhancement of Bi(111)

Autor: Sergei I. Bozhko, Killian Walshe, Brian Walls, David D. O'Regan, Andrei M. Ionov, Ainur Zhussupbekova, Igor V. Shvets, Andrei Ksenz, Ivan Zhilyaev, Rais N. Mozhchil, Kuanysh Zhussupbekov, Karsten Fleischer, Samuel Berman

Publikováno v: The Journal of Physical Chemistry. C, Nanomaterials and Interfaces

Defects introduced to the surface of Bi(111) break the translational symmetry and modify the surface states locally. We present a theoretical and experimental study of the 2D defects on the surface of Bi(111) and the states that they induce. Bi cryst

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d01a7ca2b2f52f1e2975d343ebff2fa9
https://doi.org/10.1021/acs.jpcc.0c07345

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Equipartition of Energy Defines the Size–Thickness Relationship in Liquid-Exfoliated Nanosheets

Autor: Beata M. Szydłowska, Farnia Rashvand, Jonathan N. Coleman, Aideen Griffin, David D. O'Regan, Kevin Synnatschke, Andrew Harvey, Claudia Backes, Nicola Marzari, Davide Campi, Zdenek Sofer, Ezgi Ojala

Publikováno v: ACS Nano

Liquid phase exfoliation is a commonly used method to produce 2D nanosheets from a range of layered crystals. However, such nanosheets display broad size and thickness distributions and correlations between area and thickness, issues that limit nanos

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b321fd2cddd8821e39d202c158aef7f9
https://doi.org/10.1021/acsnano.9b02234

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Enhanced Spin-Orbit Coupling in Heavy Metals via Molecular Coupling

Autor: Quentin M. Ramasse, Satam Alotibi, David D. O'Regan, Chiara Ciccarelli, Gavin Burnell, Mannan Ali, Gilberto Teobaldi, Joseph Barker, Mohammed Alyami, Oscar Cespedes, J. Patchett, B. J. Hickey, Emiliano Poli, Timothy Moorsom

Publikováno v: ACS APPLIED MATERIALS & INTERFACES

5d metals are used in electronics because of their high spin-orbit coupling (SOC) leading to efficient spin-electric conversion. When C60 is grown on a metal, the electronic structure is altered due to hybridization and charge transfer. In this work,

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::11ab780c68af2a83c444092347ce222e
https://pubmed.ncbi.nlm.nih.gov/33470108

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Adhesion of thin metallic layers on Au surfaces

Autor: Linda A Zotti, David D O’Regan

Publikováno v: Journal of Physics: Condensed Matter. 34:275001

We carried out first-principles density-functional theory calculations to study the work of separation for five different metal–metal interfaces, each of them comprising thin layers of selected metals (Cr, W, Ta, Al or Ti) lying on top of Au surfac

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e6b064d46b4dfe8cf7b7af32fe508797
https://doi.org/10.1088/1361-648x/ac6852

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First-principles Hubbard U and Hund's J corrected approximate density functional theory predicts an accurate fundamental gap in rutile and anatase TiO2

Autor: Okan K. Orhan, David D. O'Regan

Publikováno v: Physical Review B. 101

Titanium dioxide (${\mathrm{TiO}}_{2}$) presents a long-standing challenge for approximate Kohn-Sham density functional theory (KS-DFT), as well as to its Hubbard-corrected extension, $\text{DFT+}\mathit{\text{U}}$. We find that a previously proposed

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::9bfb67161e08fbb7f8ef6a1f0d4a8f9b
https://doi.org/10.1103/physrevb.101.245137

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