Search Results - "Rubel, O."

One-dimensional electron gas in strained lateral heterostructures of single layer materials by Rubel, O.

“…Confinement of the electron gas along one of the spatial directions opens an avenue for studying fundamentals of quantum transport along the side of numerous…”
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Thermodynamic origin of instability in hybrid halide perovskites by Tenuta, E., Zheng, C., Rubel, O.

“…Degradation of hybrid halide perovskites under the influence of environmental factors impairs future prospects of using these materials as absorbers in solar…”
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Recent developments in the ABINIT software package by Gonze, X., Jollet, F., Abreu Araujo, F., Adams, D., Amadon, B., Applencourt, T., Audouze, C., Beuken, J.-M., Bieder, J., Bokhanchuk, A., Bousquet, E., Bruneval, F., Caliste, D., Côté, M., Dahm, F., Da Pieve, F., Delaveau, M., Di Gennaro, M., Dorado, B., Espejo, C., Geneste, G., Genovese, L., Gerossier, A., Giantomassi, M., Gillet, Y., Hamann, D.R., He, L., Jomard, G., Laflamme Janssen, J., Le Roux, S., Levitt, A., Lherbier, A., Liu, F., Lukačević, I., Martin, A., Martins, C., Oliveira, M.J.T., Poncé, S., Pouillon, Y., Rangel, T., Rignanese, G.-M., Romero, A.H., Rousseau, B., Rubel, O., Shukri, A.A., Stankovski, M., Torrent, M., Van Setten, M.J., Van Troeye, B., Verstraete, M.J., Waroquiers, D., Wiktor, J., Xu, B., Zhou, A., Zwanziger, J.W.

“…ABINIT is a package whose main program allows one to find the total energy, charge density, electronic structure and many other properties of systems made of…”
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Favorable adsorption of capped amino acids on graphene substrate driven by desolvation effect by Dragneva, N, Floriano, W B, Stauffer, D, Mawhinney, R C, Fanchini, G, Rubel, O

“…The use of graphene-based nanomaterials is being explored in the context of various biomedical applications. Here, we performed a molecular dynamics simulation…”
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Exact solution for hopping dissociation of geminate electron-hole pairs in a disordered chain by Rubel, O, Baranovskii, S D, Stolz, W, Gebhard, F

“…A universal theoretical description of the dissociation problem for electron-hole pair on a one-dimensional chain in the hopping regime is proposed. Widely…”
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BerryPI: A software for studying polarization of crystalline solids with WIEN2k density functional all-electron package by Ahmed, S.J., Kivinen, J., Zaporzan, B., Curiel, L., Pichardo, S., Rubel, O.

“…We present a module that enables computation of polarization using density functional theory based on the full potential linearized augmented plane wave…”
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An atomic charge model for graphene oxide for exploring its bioadhesive properties in explicit water by Stauffer, D, Dragneva, N, Floriano, W B, Mawhinney, R C, Fanchini, G, French, S, Rubel, O

“…Graphene Oxide (GO) has been shown to exhibit properties that are useful in applications such as biomedical imaging, biological sensors, and drug delivery. The…”
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Unfolding the band structure of disordered solids: From bound states to high-mobility Kane fermions by Rubel, O., Bokhanchuk, A., Ahmed, S. J., Assmann, E.

“…Supercells are often used in ab initio calculations to model compound alloys, surfaces, and defects. One of the main challenges of supercell electronic…”
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Interaction of hot carriers with optical phonons in Selenium by Darbandi, A., Rubel, O.

“…An interaction of hot charge carriers with optical phonons in Selenium is studied theoretically from first principles. The results suggest that the…”
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Lead monoxide α-PbO: electronic properties and point defect formation by Berashevich, J, Semeniuk, O, Rubel, O, Rowlands, J A, Reznik, A

“…The electronic properties of polycrystalline lead oxide consisting of a network of single-crystalline α-PbO platelets and the formation of native point defects…”
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FUNDING MECHANISMS FOR IMPLEMENTATION OF MARINE STRATEGY FRAMEWORK DIRECTIVE: EU EXPERIENCE by Kniaz, S., Pavlenko, E., Rubel, O., Zavnerchik, O.

“…Over the past decade, there have been signs of improvement of the Black Sea. However, its unique water areas and coastline are still under serious threat. The…”
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Potential for renewable use of biomass from reedbeds on the lower Prut, Danube and Dniester floodplains of Ukraine and Moldova by P. Goriup, A. Haberl, O. Rubel, V. Ajder, I. Kulchytskyy, A. Smaliychuk, N. Goriup

“…The first phase of the ReedBASE project commenced in September 2016 and ended in March 2018. It assessed the use of reed biomass as a source of sustainable…”
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Avalanche multiplication in amorphous selenium and its utilization in imaging by Reznik, A., Baranovskii, S.D., Rubel, O., Jandieri, K., Kasap, S.O., Ohkawa, Y., Kubota, M., Tanioka, K., Rowlands, J.A.

“…Amorphous selenium (a-Se) is a well known photoconductor that is currently used in X-ray image detectors and HARP video tubes. Recent advances have made it…”
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Theoretical description of hopping transport in disordered materials by Baranovskii, S.D., Rubel, O., Thomas, P.

“…Incoherent hopping conduction has been revealed as the electronic transport mechanism in lightly doped microcrystalline semiconductors at low temperatures…”
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Columnar [001]-oriented nitrogen order in Ga(NAs) and (GaIn)(NAs) alloys by Rubel, O., Volz, K., Torunski, T., Baranovskii, S. D., Grosse, F., Stolz, W.

“…By calculations in the framework of the valence force field method, we show that nitrogen atoms in diluted GaAs1−xNx tend to align along the [001] direction…”
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Software implementation for calculating Chern and Z 2 topological invariants of crystalline solids with WIEN2k all-electron density functional package by Gomez-Bastidas, A.F., Rubel, O.

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On the concentration and field dependences of the hopping mobility in disordered organic solids by Baranovskii, S.D., Rubel, O., Thomas, P.

“…Theoretical approaches to hopping transport of charge carriers in random organic solids are considered. Concepts well approved in the field of inorganic…”
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Lucky-drift model for impact ionization in amorphous semiconductors by Jandieri, K., Rubel, O., Baranovskii, S. D., Reznik, A., Rowlands, J. A., Kasap, S. O.

“…A lucky-drift model for impact ionization has been recently successfully used to account for avalanche phenomenon in amorphous selenium (a-Se). We extend the…”
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Nanoanalytical quantification of the nitrogen content in Ga(NAs)∕GaAs by using transmission electron microscopy in combination with refined structure factor calculation by Volz, K., Rubel, O., Torunski, T., Baranovskii, S. D., Stolz, W.

“…We have studied systematically the nitrogen content in Ga(NAs)∕GaAs quantum wells by (002) dark-field transmission electron microscopy (TEM). The nitrogen…”
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Reversible vs irreversible photodarkening in a-Se: the kinetics study by Reznik, A., Baranovskii, S. D., Klebanov, M., Lyubin, V., Rubel, O., Rowlands, J. A.

“…The kinetics of photodarkening (PD) in amorphous selenium has been studied experimentally at different intensities of optical excitation. Comparison between…”
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