Zobrazeno 1 - 10
of 5 206
pro vyhledávání: '"R M, Nieminen"'
Autor:
G. Seifert
Publikováno v:
Crystal Research and Technology. 26:708-708
Publikováno v:
Physical Review X, Vol 3, Iss 3, p 031002 (2013)
Progress in materials science depends on the ability to discover new materials and to obtain and understand their properties. This has recently become particularly apparent for compounds with reduced dimensionality, which often display unexpected phy
Externí odkaz:
https://doaj.org/article/6521781e8d4745cf9cc71b72b92eaae8
Publikováno v:
New Journal of Physics, Vol 14, Iss 11, p 113029 (2012)
We have studied the geometries, formation energies, migration barriers and diffusion of a copper interstitial with different charge states with and without an external electric field in the α -cristobalite crystalline form of SiO _2 using ab initio
Externí odkaz:
https://doaj.org/article/52006c8e858e4b1cb4bc5363506e4cfe
Autor:
Bhat, Harish S.1 (AUTHOR) hbhat@ucmerced.edu, Gupta, Prachi2 (AUTHOR), Isborn, Christine M.3 (AUTHOR)
Publikováno v:
APL Machine Learning. Dec2024, Vol. 2 Issue 4, p1-14. 14p.
Autor:
ČIŽEK, J.1 jakub.cizek@mff.cuni.cz, MELIKHOVA, O.1
Publikováno v:
Acta Physica Polonica: A. Nov2024, Vol. 146 Issue 5, p693-698. 6p.
Autor:
J. Frantti, Y. Fujioka, J. Zhang, S. Wang, S. C. Vogel, R. M. Nieminen, A. M. Asiri, Y. Zhao, A. Y. Obaid, I. A. Mkhalid
The present study was dedicated to the classical piezoelectric, lead-zirconate-titanate ceramic with composition Pb(Zr0.54Ti0.46)O3 at the Zr-rich side of the morphotropic phase boundary at which two phases co-exists. The pressure-induced changes in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3a7fb4afe4181a764b19a6766b3e25b9
https://aaltodoc.aalto.fi/handle/123456789/16528
https://aaltodoc.aalto.fi/handle/123456789/16528
Publikováno v:
Journal of nanoscience and nanotechnology. 9(7)
In this paper we propose several new C20 polymer structures, whose properties were studied using density-functional theory based calculations. New structures predicted in this work are shown to be energetically more favourable and stable than previou
Publikováno v:
The journal of physical chemistry. B. 109(10)
In this work, we use first principles simulations to provide features of the dynamic scanning force microscopy imaging of adsorbed organic layers on insulating surfaces. We consider monolayers of formic (HCOOH) and acetic (CH(3)COOH) acid and a mixed
Autor:
Ni Z; Department of Applied Physical Sciences, University of North Carolina, Chapel Hill, NC, 27599, USA., Zhao L; Department of Applied Physical Sciences, University of North Carolina, Chapel Hill, NC, 27599, USA., Shi Z; Department of Applied Physical Sciences, University of North Carolina, Chapel Hill, NC, 27599, USA., Singh A; Physics, SUPA, School of Science and Engineering, University of Dundee, Dundee, DD1 4HN, UK., Wiktor J; Department of Physics, Chalmers University of Technology, Gothenburg, SE-41296, Sweden., Liedke MO; Institute of Radiation Physics, Helmholtz-Zentrum Dresden-Rossendorf, Bautzner Landstraße 400, 01328, Dresden, Germany., Wagner A; Institute of Radiation Physics, Helmholtz-Zentrum Dresden-Rossendorf, Bautzner Landstraße 400, 01328, Dresden, Germany., Dong Y; Chemistry and Nanoscience Center, National Renewable Energy Laboratory, Golden, CO, 80401, USA., Beard MC; Chemistry and Nanoscience Center, National Renewable Energy Laboratory, Golden, CO, 80401, USA., Keeble DJ; Physics, SUPA, School of Science and Engineering, University of Dundee, Dundee, DD1 4HN, UK., Huang J; Department of Applied Physical Sciences, University of North Carolina, Chapel Hill, NC, 27599, USA.; Department of Chemistry, University of North Carolina, Chapel Hill, NC, 27599, United States.
Publikováno v:
Advanced materials (Deerfield Beach, Fla.) [Adv Mater] 2024 Aug; Vol. 36 (35), pp. e2406193. Date of Electronic Publication: 2024 Jul 14.
Publikováno v:
Physical review. E, Statistical, nonlinear, and soft matter physics. 64(2 Pt 1)
Density-functional theory (DFT) calculations utilizing the Becke 3LYP hybrid functional have been carried out for N-acetyl L-alanine N'-methylamide and examined with respect to the effect of water on the structure, the vibrational frequencies, vibrat