Zobrazeno 1 - 10
of 282
pro vyhledávání: '"Antti J. Karttunen"'
Publikováno v:
APL Materials, Vol 10, Iss 9, Pp 091104-091104-8 (2022)
We demonstrate a p-type to n-type conductivity transition for thermoelectric CoSbS achieved by precisely controlling the sulfur vapor pressure during the sample synthesis. The p–n transition is experimentally confirmed by both the Seebeck coefficie
Externí odkaz:
https://doaj.org/article/395a704857584178a2715138685955d8
Autor:
Mikhail S. Kuklin, Antti J. Karttunen
Publikováno v:
Molecules, Vol 28, Iss 16, p 5986 (2023)
Binary zinc(II) oxide (ZnO) and copper(II) oxide (CuO) are used in a number of applications, including optoelectronic and semiconductor applications. However, no crystal structures have been reported for ternary Cu-Zn-O oxides. In that context, we in
Externí odkaz:
https://doaj.org/article/7d84294bc9d54b6fbc1d325cff537aea
Autor:
Nea B. Möttönen, Antti J. Karttunen
Publikováno v:
Molecules, Vol 28, Iss 3, p 1115 (2023)
The use of biocomposites is increasing due to their recyclability, biodegradability, and decreased CO2 emission levels compared to pure polyolefin plastics. Furthermore, suitably engineered biocomposites can provide, for example, superior mechanical
Externí odkaz:
https://doaj.org/article/74772599d06d49f8bdd0a3f373fda146
Publikováno v:
Molecules, Vol 27, Iss 19, p 6240 (2022)
The phonon properties and thermodynamics of four crystalline cellulose allomorphs, Iα, Iβ, II, and III1, have been investigated using dispersion-corrected density functional theory (DFT). In line with experimental findings, the free energy differen
Externí odkaz:
https://doaj.org/article/3ffad817ca614e2ab766b13755e9c991
Autor:
Vaibhav Modi, Antti J. Karttunen
Publikováno v:
Nanomaterials, Vol 12, Iss 19, p 3379 (2022)
Cellulose-reinforced polypropylene bionanocomposites can show improved elastic properties over their pure polypropylene counterparts. We have used equilibrium and non-equilibrium molecular dynamics (MD) simulations to study the elastic properties of
Externí odkaz:
https://doaj.org/article/b6dd82602c864218b06682988a0c8a5d
Autor:
Kim Eklund, Antti J. Karttunen
Publikováno v:
Nanomaterials, Vol 12, Iss 2, p 199 (2022)
Nitrogen-doped carbon nanotubes (N-CNTs) show promise in several applications related to catalysis and electrochemistry. In particular, N-CNTs with a single nitrogen dopant in the unit cell have been extensively studied computationally, but the struc
Externí odkaz:
https://doaj.org/article/1fc79ee9c2464104a9673d1f272713fb
Publikováno v:
Molecules, Vol 27, Iss 3, p 822 (2022)
Numerous studies on silicon allotropes with three-dimensional networks or as materials of lower dimensionality have been carried out in the past. Herein, allotropes of silicon, which are based on structures of experimentally accessible [Si9]4− clus
Externí odkaz:
https://doaj.org/article/f4dbe5a6f63145759e4cf528343244be
Autor:
Mikhail S. Kuklin, Kim Eklund, Jarno Linnera, Artturi Ropponen, Nikolas Tolvanen, Antti J. Karttunen
Publikováno v:
Molecules, Vol 27, Iss 3, p 874 (2022)
d-metal oxides play a crucial role in numerous technological applications and show a great variety of magnetic properties. We have systematically investigated the structural properties, magnetic ground states, and fundamental electronic properties of
Externí odkaz:
https://doaj.org/article/3a8dc59d4e874a259c4d9f110b580539
Publikováno v:
Applied Sciences, Vol 11, Iss 22, p 10767 (2021)
Virtual reality provides a powerful way to visualize the three-dimensional, atomic-level structures of molecules and materials. We present new virtual reality software for molecular modeling and for testing the use of virtual reality in organic chemi
Externí odkaz:
https://doaj.org/article/0aaa2c98c35f499b9b2f1fe2339e6dc8
Autor:
Sergei I. Ivlev, Antti J. Karttunen, Magnus R. Buchner, Matthias Conrad, Roman V. Ostvald, Florian Kraus
Publikováno v:
Crystals, Vol 8, Iss 1, p 11 (2017)
Two barium hexafluoridoosmates, Ba(OsF6)2 and BaOsF6, were synthesized and were characterized for the first time using X-ray powder and single crystal diffraction, IR spectroscopy, as well as NMR spectroscopy in anhydrous hydrogen fluoride. Ba(OsF6)2
Externí odkaz:
https://doaj.org/article/badd74d70b7c415b9a007a81f5b6821a