Publications at the Department of Mathematics and Natural Sciences from 2019

Results: 897
Created on: Sun, 28 Apr 2024 16:37:13 +0200 in 0.0471 sec


Halle, Johannes; Néel, Nicolas; Kröger, Jörg
Monolayer and bilayer graphene on Ru(0001): layer-specific and moiré-site-dependent phonon excitations. - In: The journal of physical chemistry letters, ISSN 1948-7185, Bd. 12 (2021), 29, S. 6889-6894

Graphene phonons are excited by the local injection of electrons and holes from the tip of a scanning tunneling microscope. Despite the strong graphene-Ru(0001) hybridization, monolayer graphene unexpectedly exhibits pronounced phonon signatures in inelastic electron tunneling spectroscopy. Spatially resolved spectroscopy reveals that the strength of the phonon signal depends on the site of the moiré lattice with a substantial red-shift of phonon energies compared to those of free graphene. Bilayer graphene gives rise to more pronounced spectral signatures of vibrational quanta with energies nearly matching the free graphene phonon energies. Spectroscopy data of bilayer graphene indicate moreover the presence of a Dirac cone plasmon excitation.



https://doi.org/10.1021/acs.jpclett.1c01802
Grundel, Sara; Heyder, Stefan; Hotz, Thomas; Ritschel, Tobias K. S.; Sauerteig, Philipp; Worthmann, Karl
How to coordinate vaccination and social distancing to mitigate SARS-CoV-2 outbreaks. - In: SIAM journal on applied dynamical systems, ISSN 1536-0040, Bd. 20 (2021), 2, S. 1135-1157

Most countries have started vaccinating people against COVID-19. However, due to limited production capacities and logistical challenges it will take months/years until herd immunity is achieved. Therefore, vaccination and social distancing have to be coordinated. In this paper, we provide some insight on this topic using optimization-based control on an age-differentiated compartmental model. For real-life decision-making, we investigate the impact of the planning horizon on the optimal vaccination/social distancing strategy. We find that in order to reduce social distancing in the long run, without overburdening the health care system, it is essential to vaccinate the people with the highest contact rates first. That is also the case if the objective is to minimize fatalities provided that the social distancing measures are sufficiently strict. However, for short-term planning it is optimal to focus on the high-risk group.



https://doi.org/10.1137/20M1387687
Cao-Riehmer, Jialan; Chande, Charmi; Kalensee, Franziska; Schüler, Tim; Köhler, Michael
Microfluidically supported characterization of responses of Rhodococcus erythropolis strains isolated from different soils on Cu-, Ni-, and Co-stress. - In: Brazilian journal of microbiology, ISSN 1678-4405, Bd. 52 (2021), 3, S. 1405-1415

We present a new methodological approach for the assessment of the susceptibility of Rhodococcus erythropolis strains from specific sampling sites in response to increasing heavy metal concentration (Cu2+, Ni2+, and Co2+) using the droplet-based microfluid technique. All isolates belong to the species R. erythropolis identified by Sanger sequencing of the 16S rRNA. The tiny step-wise variation of metal concentrations from zero to the lower mM range in 500 nL droplets not only provided accurate data for critical metal ion concentrations but also resulted in a detailed visualization of the concentration-dependent response of bacterial growth and autofluorescence activity. As a result, some of the isolates showed similar characteristics in heavy metal tolerance against Cu2+, Ni2+, and Co2+. However, significantly different heavy metal tolerances were found for other strains. Surprisingly, samples from the surface soil of ancient copper mining areas supplied mostly strains with a moderate sensitivity to Cu2+, Ni2+, and Co2+, but in contrast, a soil sample from an excavation site of a medieval city that had been covered for about eight centuries showed an extremely high tolerance against cobalt ion (up to 36 mM). The differences among the strains not only may be regarded as results of adaptation to the different environmental conditions faced by the strains in nature but also seem to be related to ancient human activities and temporal partial decoupling of soil elements from the surface. This investigation confirmed that microfluidic screening offers empirical characterization of properties from same species which has been isolated from sites known to have different human activities in the past.



https://doi.org/10.1007/s42770-021-00495-2
Lauer, Kevin; Brokmann, Geert; Bähr, Mario; Ortlepp, Thomas
Determination of piezo-resistive coefficient π44 in p-type silicon by comparing simulation and measurement of pressure sensors. - In: AIP Advances, ISSN 2158-3226, Bd. 11 (2021), 8, 085005, insges. 6 S.

https://doi.org/10.1063/5.0060034
Strutynska, Nataliia; Malyshenko, Anna; Tverdokhleb, Nina; Evstigneev, Maxim; Vovchenko, Ludmila; Prylutskyy, Yuriy; Slobodyanik, Nikolai; Ritter, Uwe
Design, characterization and mechanical properties of new Na+, CO32--apatite/alginate/C60 fullerene hybrid biocomposites. - In: Journal of the Korean Ceramic Society, ISSN 2234-0491, Bd. 58 (2021), 4, S. 422-429
Im Titel sind "+" und "2-" hochgestellt, "3" und "60" tiefgestellt

Nanoparticles (20-50 nm) of Na+, CO32--containing calcium phosphate (Na: 1.49 wt% and C: 1.53 wt%) with apatite-type structure were prepared by precipitation method from aqueous solution. According to FTIR spectroscopy data, the partial substitution of phosphate by carbonate (B-type) realized in the apatite-type structure. Obtained Na+, CO32--hydroxyapatite (HAP) was used for the preparation of hybrid biocomposites with Alginate (Alg) with weight ratio HAP: Alg = 1:1 or 2:1 and C60 fullerene (C60; from 0.2 to 4 wt%) and their mechanical properties were determined. It was found, that sample with weight ratio HAP: Alg = 2:1 and containing 4.0 wt% of C60 has the highest Young's modulus 429 MPa comparing with other determined samples. The structure modeling of the investigated system showed that the formation of triple complexes Na+, CO32--HAP-Alg-C60 is stabilized by solvophobic and stacking interactions. The created biocomposites can be used as an effective implant material for bone restoration.



https://doi.org/10.1007/s43207-020-00107-z
Yao, Jie; Zhang, Chenglin; Yang, Guowei; Sha, Mo; Dong, Yulian; Fu, Qun; Wu, Yuhan; Zhao, Huaping; Wu, Minghong; Lei, Yong
Bismuth nanoparticles confined in carbonaceous nanospheres as anodes for high-performance potassium-ion batteries. - In: ACS applied materials & interfaces, ISSN 1944-8252, Bd. 13 (2021), 27, S. 31766-31774

Bismuth (Bi) has been considered as a promising alloying-type anode for potassium-ion batteries (PIBs), owing to its high theoretical capacity and suitable working voltage plateaus. However, Bi suffers from dramatic volume fluctuation and significant pulverization during the discharge/charge processes, resulting in fast capacity decay. Herein, we synthesize Bi nanoparticles confined in carbonaceous nanospheres (denoted as BiC) for PIBs by first utilizing BiOCl nanoflakes as a hard template and a Bi precursor. The construction of the loose structure buffers the mechanical stresses resulting from the volume expansion of Bi during the alloying reaction and avoids the fracture of the electrode structure, thus improving the cycling performance. Moreover, the carbonaceous layers increase the electronic conductivity and disperse the Bi nanoparticles, enhancing the charge transportation and ionic diffusion, which further promotes the rate capability of Bi@C. It exhibits a superior capacity (389 mAh g^-1 at 100 mA g^-1 after 100 cycles), excellent cycling stability (206 mAh g^-1 at 500 mA g^-1 over 1000 cycles), and an improved rate capability (182 mAh g^-1 at 2.0 A g^-1). This work provides a new structuring strategy in alloying materials for boosting reversible and stable potassium-ion storage.



https://doi.org/10.1021/acsami.1c09286
Kriesell, Matthias;
A note on uniquely 10-colorable graphs. - In: Journal of graph theory, ISSN 1097-0118, Bd. 98 (2021), 1, S. 24-26

Hadwiger conjectured that every graph of chromatic number k admits a clique minor of order k. Here we prove for k ≤ 10, that every graph of chromatic number k with a unique k-coloring (up to the color names) admits a clique minor of order k. The proof does not rely on the Four Color Theorem.



https://doi.org/10.1002/jgt.22679
Chernykh, Mariia; Zavalny, Dmytro; Sokolova, Viktoriya; Ponomarenko, Stanislav; Prylutska, Svitlana; Kuziv, Yuliia; Chumachenko, Vasyl; Marynin, Andrii; Kutsevol, Nataliya; Epple, Matthias; Ritter, Uwe; Piosik, Jacek; Prylutskyy, Yuriy
A new water-soluble thermosensitive star-like copolymer as a promising carrier of the chemotherapeutic drug doxorubicin. - In: Materials, ISSN 1996-1944, Bd. 14 (2021), 13, 3517, insges. 13 S.

A new water-soluble thermosensitive star-like copolymer, dextran-graft-poly-N-iso-propilacrylamide (D-g-PNIPAM), was created and characterized by various techniques (size-exclusion chromatography, differential scanning calorimetry, Fourier-transform infrared (FTIR) spectroscopy, and dynamic light scattering (DLS) spectroscopy). The viability of cancer cell lines (human transformed cervix epithelial cells, HeLa) as a model for cancer cells was studied using MTT and Live/Dead assays after incubation with a D-g-PNIPAM copolymer as a carrier for the drug doxorubicin (Dox) as well as a D-g-PNIPAM + Dox mixture as a function of the concentration. FTIR spectroscopy clearly indicated the complex formation of Dox with the D-g-PNIPAM copolymer. The size distribution of particles in Hank’s solution was determined by the DLS technique at different temperatures. The in vitro uptake of the studied D-g-PNIPAM + Dox nanoparticles into cancer cells was demonstrated by confocal laser scanning microscopy. It was found that D-g-PNIPAM + Dox nanoparticles in contrast to Dox alone showed higher toxicity toward cancer cells. All of the aforementioned facts indicate a possibility of further preclinical studies of the water-soluble D-g-PNIPAM particles’ behavior in animal tumor models in vivo as promising carriers of anticancer agents.



https://doi.org/10.3390/ma14133517
Romanyuk, Oleksandr; Paszuk, Agnieszka; Bartoš, Igor; Wilks, Regan George; Nandy, Manali; Bombsch, Jakob; Hartmann, Claudia; Félix, Roberto; Ueda, Shigenori; Gordeev, Ivan; Houdkova, Jana; Kleinschmidt, Peter; Machek, Pavel; Bär, Marcus; Jiříček, Petr; Hannappel, Thomas
Band bending at heterovalent interfaces: hard X-ray photoelectron spectroscopy of GaP/Si(0 0 1) heterostructures. - In: Applied surface science, Bd. 565 (2021), 150514

https://doi.org/10.1016/j.apsusc.2021.150514
Paszuk, Agnieszka; Supplie, Oliver; Brückner, Sebastian; Barrigón, Enrique; May, Matthias M.; Nandy, Manali; Gieß, Aaron; Dobrich, Anja; Kleinschmidt, Peter; Rey-Stolle, Ignacio; Hannappel, Thomas
Atomic surface control of Ge(100) in MOCVD reactors coated with (Ga)As residuals. - In: Applied surface science, Bd. 565 (2021), 150513

Heteroepitaxy of planar, low-defect III-V semiconductor layers on Ge(100) requires a single-domain substrate surface, where dimer rows are aligned in parallel on atomically well-ordered terraces, which are separated by steps of even numbered atomic height. The presence of Ga and As in the sample ambience crucially impacts the preparation of such Ge(100) surfaces. Ga and As are commonly omnipresent, when applying metalorganic chemical vapor deposition (MOCVD), either directly supplied by precursors, in the form of MOCVD reactor residuals, or both. We study the impact of the growth conditions on the Ge(100) surface formation in situ, in dependence on the reactor pre-conditioning, the type of As supply, and/or temperature, utilizing surface-sensitive reflection anisotropy spectroscopy. We benchmark the in situ spectra to in system X-ray photoelectron spectroscopy, low energy electron diffraction and scanning tunneling microscopy. We find that interaction of tertiarybutylarsine (TBAs) with a coating of the inner MOCVD reactor walls by GaAs residuals favors desorption of As from reactor parts resulting in As-dimers on the Ge(100) surface, which are rotated by 90˚ compared to preparation routes employing TBAs in Ga-free ambience. The optical in situ control enables precise adjustment and switching between distinct Ge(100) surface reconstructions for subsequent III-V heteroepitaxy.



https://doi.org/10.1016/j.apsusc.2021.150513