Search Results - "Foster, A.S"

Bending the rules: Contrasting vacancy energetics and migration in graphite and carbon nanotubes by Krasheninnikov, A.V., Lehtinen, P.O., Foster, A.S., Nieminen, R.M.

“…The traditional picture of a carbon nanotube as a rolled graphene sheet implies that the mechanisms of intra-layer atomic processes in the two systems should…”
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Adsorption and migration of carbon adatoms on zigzag carbon nanotubes by Krasheninnikov, A.V., Nordlund, K., Lehtinen, P.O., Foster, A.S., Ayuela, A., Nieminen, R.M.

“…Using density-functional tight-binding and ab initio methods we study the adsorption and migration of carbon adatoms on surfaces of single-walled zigzag carbon…”
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Electronic conductivity of solid and liquid (Mg, Fe)O computed from first principles by Holmström, E., Stixrude, L., Scipioni, R., Foster, A.S.

“…Ferropericlase (Mg, Fe)O is an abundant mineral of Earth's lower mantle and the liquid phase of the material was an important component of the early magma…”
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Recent Trends in Surface Characterization and Chemistry with High-Resolution Scanning Force Methods by Barth, Clemens, Foster, Adam S., Henry, Claude R., Shluger, Alexander L.

“…The current status and future prospects of non‐contact atomic force microscopy (nc‐AFM) and Kelvin probe force microscopy (KPFM) for studying insulating…”
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Role of image forces in non-contact scanning force microscope images of ionic surfaces by Kantorovich, L.N., Foster, A.S., Shluger, A.L., Stoneham, A.M.

“…We consider the effect of the image interaction on the force acting between tip and surface in non-contact scanning force microscope experiments. This…”
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Dependence of the tip–surface interaction on the surface electronic structure by Foster, A.S., Gal, A.Y., Lee, Y.J., Shluger, A.L., Nieminen, R.M.

“…We compare the results of ab initio calculations of the interaction of Si tips with the surfaces of CaCO 3, MgO, and CaF 2. The calculations were performed…”
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An object oriented Python interface for atomistic simulations by Hynninen, T., Himanen, L., Parkkinen, V., Musso, T., Corander, J., Foster, A.S.

“…Programmable simulation environments allow one to monitor and control calculations efficiently and automatically before, during, and after runtime…”
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Stability of carbon nanotubes under electron irradiation : Role of tube diameter and chirality by KRASHENINNIKOV, A. V, BANHART, F, LI, J. X, FOSTER, A. S, NIEMINEN, R. M

“…As recent experiments demonstrate, the inner shells of multiwalled carbon nanotubes are more sensitive to electron irradiation than the outer shells. To…”
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Defect mediated manipulation of nanoclusters on an insulator by Hynninen, Teemu, Cabailh, Gregory, Foster, Adam S., Barth, Clemens

“…With modern scanning probe microscopes, it is possible to manipulate surface structures even at the atomic level. However, manipulation of nanoscale objects…”
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AFM tip characterization by Kelvin probe force microscopy by Barth, C, Hynninen, T, Bieletzki, M, Henry, C R, Foster, A S, Esch, F, Heiz, U

“…Reliable determination of the surface potential with spatial resolution is key for understanding complex interfaces that range from nanostructured surfaces to…”
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Chemical identification of ions in doped NaCl by scanning force microscopy by Foster, Adam S, Barth, Clemens, Henry, Claude R

“…A quantitative comparison between experiment and theory is presented, which shows that all ions of the Suzuki structure on (001) surfaces of Mg2+ or Cd2+ doped…”
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Two-Dimensional Nanostructured Growth of Nanoclusters and Molecules on Insulating Surfaces by Barth, Clemens, Gingras, Marc, Foster, Adam S., Gulans, Andris, Félix, Guy, Hynninen, Teemu, Peresutti, Romain, Henry, Claude R.

“…Noncontact atomic force microscopy (nc‐AFM), Kelvin probe force microscopy (KPFM) and first principle calculations show that the nanostructured (001) Suzuki…”
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A molecular dynamics implementation of the 3D Mercedes-Benz water model by Hynninen, T., Dias, C.L., Mkrtchyan, A., Heinonen, V., Karttunen, M., Foster, A.S., Ala-Nissila, T.

“…The three-dimensional Mercedes-Benz model was recently introduced to account for the structural and thermodynamic properties of water. It treats water…”
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Adsorption dynamics of O2 on Cu(100) by ALATALO, M, PUISTO, A, PITKÄNEN, H, FOSTER, A. S, LAASONEN, K

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Adsorption dynamics of O 2 on Cu(1 0 0) by Alatalo, M., Puisto, A., Pitkänen, H., Foster, A.S., Laasonen, K.

“…We have studied the adsorption of O 2 on the Cu(1 0 0) surface using both static potential energy surface (PES) calculations and ab initio molecular dynamics…”
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Polarized Tips or Surfaces: Consequences in Kelvin Probe Force Microscopy by Hynninen, T., Foster, A. S., Barth, C.

“…In this work, we present non-contact atomic force microscopy (nc-AFM) and Kelvin probe force microscopy (KPFM) simulations of the (001) surface of silver and…”
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Adsorption of atomic and molecular oxygen on Cu(1 0 0) by Puisto, A., Pitkänen, H., Alatalo, M., Jaatinen, S., Salo, P., Foster, A.S., Kangas, T., Laasonen, K.

“…We have studied the initial stages of the oxidation of the Cu(1 0 0) surface using ab initio calculations. Both atomic and molecular oxygen are addressed. We…”
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Atomistic simulations of surface coverage effects in anisotropic wet chemical etching of crystalline silicon by Gosálvez, M.A, Foster, A.S, Nieminen, R.M

“…Atomistic simulations of anisotropic wet chemical etching of crystalline silicon have been performed in order to determine the dependence of the etch rates of…”
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Measuring Site-Specific Cluster−Surface Bond Formation by Hoffmann, Regina, Barth, Clemens, Foster, Adam S, Shluger, Alexander L, Hug, Hans J, Güntherodt, Hans-Joachim, Nieminen, Risto M, Reichling, Michael

“…Recent advances in dynamic force microscopy show that it is possible to measure the forces between atomically sharp tips and particular atomic positions on…”
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Modelling of point defects in monoclinic zirconia by Foster, A.S., Sulimov, V.B., Lopez Gejo, F., Shluger, A.L., Nieminen, R.M.

“…We present the results of plane wave density functional theory calculations of oxygen vacancies and interstitial oxygen atoms in monoclinic zirconia. After…”
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