Zobrazeno 1 - 6 of 6 pro vyhledávání: '"Paula Havu"'
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Akademický článek
Core level binding energies of functionalized and defective graphene
Autor: Toma Susi, Markus Kaukonen, Paula Havu, Mathias P. Ljungberg, Paola Ayala, Esko I. Kauppinen
Publikováno v: Beilstein Journal of Nanotechnology, Vol 5, Iss 1, Pp 121-132 (2014)
X-ray photoelectron spectroscopy (XPS) is a widely used tool for studying the chemical composition of materials and it is a standard technique in surface science and technology. XPS is particularly useful for characterizing nanostructures such as car
Externí odkaz: https://doaj.org/article/db82a59b3bed440ca26e700071e5ac8a
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2
Core level binding energies of functionalized and defective graphene
Autor: Paula Havu, Mathias P. Ljungberg, M. Kaukonen, Toma Susi, Paola Ayala, Esko I. Kauppinen
Publikováno v: Beilstein Journal of Nanotechnology
Beilstein Journal of Nanotechnology, Karlsruhe Institute of Technology., 2014, 5, pp.121-132. ⟨10.3762/bjnano.5.12⟩
Beilstein Journal of Nanotechnology, Vol 5, Iss 1, Pp 121-132 (2014)
International audience; X-ray photoelectron spectroscopy (XPS) is a widely used tool for studying the chemical composition of materials and it is a standard technique in surface science and technology. XPS is particularly useful for characterizing na
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3de142ed7bacdd76b07224a5cc376d9e
http://hdl.handle.net/20.500.12278/100044
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3
Large-scale surface reconstruction energetics of Pt(100) and Au(100) by all-electron density functional theory
Autor: Matthias Scheffler, Patrick Rinke, Ville Havu, Paula Havu, Volker Blum
Publikováno v: Physical Review B
The low-index surfaces of Au and Pt all tend to reconstruct, a fact that is of key importance in many nanostructure, catalytic, and electrochemical applications. Remarkably, some significant questions regarding their structural energies remain even t
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::59da457151e2caef317d9e89b21afcf9
https://aaltodoc.aalto.fi/handle/123456789/21912
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5
Interfacial oxide growth in silicon/high-k oxide interfaces: First principles modeling of the Si-HfO2 interface
Autor: Martti J. Puska, Paula Havu, Mikko Hakala, Adam S. Foster, Risto M. Nieminen, Jacob Gavartin
We have performed first principles calculations to investigate the structure and electronic properties of several different Si–HfOx interfaces. The atomic structure has been obtained by growing HfOx layer by layer on top of the Si(100) surface and
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d0e6d1462021df96a6845cfce3365121
https://aaltodoc.aalto.fi/handle/123456789/30903
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6
Ab initio molecular simulations with numeric atom-centered orbitals
Autor: Ralf Gehrke, Volker Blum, Paula Havu, Xinguo Ren, Felix Hanke, Matthias Scheffler, Ville Havu, Karsten Reuter
Publikováno v: Computer Physics Communications. (11):2175-2196
We describe a complete set of algorithms for ab initio molecular simulations based on numerically tabulated atom-centered orbitals (NAOs) to capture a wide range of molecular and materials properties from quantum-mechanical first principles. The full
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fe629e5a7dcc8a3a3e97bff838f54fbf
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