Publications at the Department of Mathematics and Natural Sciences from 2019

Results: 907
Created on: Tue, 14 May 2024 23:06:39 +0200 in 0.0731 sec


Zhao, Junping; Wang, Yahui; Qian, Yudan; Jin, Huile; Tang, Xinyue; Huang, Zaimei; Lou, Jiayi; Zhang, Qingcheng; Lei, Yong; Wang, Shun
Hierarchical design of cross-linked NiCo2S4 nanowires bridged NiCo-hydrocarbonate polyhedrons for high-performance asymmetric supercapacitor. - In: Advanced functional materials, ISSN 1616-3028, Bd. 33 (2023), 4, 2210238, S. 1-14

Engineering core-shell materials with rationally designed architectures and components is an effective strategy to fulfill the high-performance requirements of supercapacitors. Herein, hierarchical candied-haws-like NiCo2S4NiCo(HCO3)2 core-shell heterostructure (NiCo2S4@HCs) is designed with NiCo(HCO3)2 polyhedrons being tightly strung by cross-linked NiCo2S4 nanowires. This rational design not only creates more electroactive sites but also suppresses the volume expansion during the charge-discharge processes. Meanwhile, density functional theory calculations ascertain that the formation of NiCo2S4@HCs heterostructure simultaneously facilitates OH− adsorption/desorption and accelerates electron transfer within the electrode, boosting fast and efficient redox reactions. Ex situ X-ray diffraction and Raman measurements reveal that gradual phase transformations from NiCo(HCO3)2 to NiCo(OH)2CO3 and then to highly-active NiCoOOH take place during the cycles. Therefore, NiCo2S4@HCs demonstrates an ultrahigh capacitance of 3178.2 F g−1 at 1 A g−1 and a remarkable rate capability of 2179.3 F g−1 at 30 A g−1. In addition, the asymmetric supercapacitor NiCo2S4@HCs//AC exhibits a high energy density of 69.6 W h kg−1 at the power density of 847 W kg−1 and excellent cycling stability with 90.2% retained capacitance after 10 000 cycles. Therefore, this novel structural design has effectively manipulated the interface charge states and guaranteed the structural integrity of electrode materials to achieve superior electrochemical performances.



https://doi.org/10.1002/adfm.202210238
Hähnlein, Bernd; Honig, Hauke; Schaaf, Peter; Krischok, Stefan; Tonisch, Katja
Effect of poly-crystallinity on the magnetoelectric behavior of TiN/AlN/Ni MEMS cantilevers investigated by finite element methods. - In: Physica status solidi, ISSN 1862-6319, Bd. 220 (2023), 16, 2200839, S. 1-6

Herein, magnetoelectric microelectromechanical system (MEMS) cantilevers are investigated on basis of a TiN/AlN/Ni laminate derived from experimental sensors using finite-element simulations. With the anisotropic ΔE effect as an implication of the magnetocrystalline anisotropy, the lateral sensitivity of the sensor is studied for different nickel layer thicknesses and boundary conditions. It is found that above 60% of the cantilever length, the nickel is effectively not contributing to the sensor sensitivity anymore which is supported by the investigation of sensors with partial nickel coverage. The boundary condition of the magnetostrictive layer is found to affect the sensitivity of thick layers while it is negligible for thinning layers. Further investigations on basis of polycrystalline untextured nickel with slightly preferred orientations reveal a stronger effect on thin layers than on thicker ones. It is found to arise from relatively large crystals in the high-sensitivity region near the clamping of the sensor. For thicker polycrystalline layers, the ΔE effect reproduces a characteristic based mainly on the (110) and (111) orientations while the (100) orientation appears to be underrepresented.



https://doi.org/10.1002/pssa.202200839
Ma, Mengmeng; Liu, Jun; Zhao, Huaping; Yue, Shizhong; Zhong, Li; Huang, Yanbin; Jia, Xiaohao; Liu, Kong; Li, Xiaobao; Wang, Zhijie; Qu, Shengchun; Lei, Yong
Broadened photocatalytic capability to near-infrared for CdS hybrids and positioning hydrogen evolution sites. - In: Applied catalysis, ISSN 1873-3883, Bd. 325 (2023), 122327

Wide-spectrum light harvesting is critical in determining practical photocatalysis water splitting. Hybridization presents a viable strategy to broaden photocatalytic capability, yet the direct conversion of near-infrared (NIR) light remains a matter of great concern. Herein, a state-of-art ternary Au nanorodsMoS2-CdS (AMC) hybrid is designed to address this challenge. AMC achieves a leap-forward apparent quantum yield (AQY) of 1.06% at 700 nm and an AQY of 35.7% at 450 nm, extending the hydrogen evolution reaction (HER) capability of CdS hybrids to the NIR region firstly. It is revealed that the energetic hot electrons supplied by Au nanorods (NRs) are responsible for this extension. Indispensable, MoS2 performs a platform to collect the hot electrons from Au NRs and the photoinduced electrons from CdS. The HER active sites are positioned as MoS2-CdS interfaces both from experimental and theoretical viewpoints. This work opens up a new horizon for the forward of the wide-spectrum photocatalysis design.



https://doi.org/10.1016/j.apcatb.2022.122327
Qi, Yaru; Qiu, Wenwen; Trunk, Carsten; Wilson, Mitsuru
Spectral inclusion property for a class of block operator matrices. - Ilmenau : Technische Universität Ilmenau, Institut für Mathematik, 2023. - 1 Online-Ressource (12 Seiten). - (Preprint ; M23,02)

The numerical range and the quadratic numerical range is used to study the spectrum of a class of block operator matrices. We show that the approximate point spectrum is contained in the closure of the quadratic numerical range. In particular, the spectral enclosures yield a spectral gap. It is shown that these spectral bounds are tighter than classical numerical range bounds.



https://nbn-resolving.org/urn:nbn:de:gbv:ilm1-2023200026
Behrndt, Jussi; Gesztesy, Fritz; Schmitz, Philipp; Trunk, Carsten
Lower bounds for self-adjoint Sturm-Liouville operators. - Ilmenau : Technische Universität Ilmenau, Institut für Mathematik, 2023. - 1 Online-Ressource (11 Seiten). - (Preprint ; M23,01)
https://nbn-resolving.org/urn:nbn:de:gbv:ilm1-2023200011
Hörsch, Florian;
Globally balancing spanning trees. - In: European journal of combinatorics, Bd. 109 (2023), 103644

https://doi.org/10.1016/j.ejc.2022.103644
Schuett, Timo; Anufriev, Ilya; Endres, Patrick; Stumpf, Steffi; Nischang, Ivo; Höppener, Stephanie; Bode, Stefan; Schubert, Ulrich Sigmar; Geitner, Robert
A user-guide for polymer purification using dialysis. - In: Polymer chemistry, ISSN 1759-9962, Bd. 14 (2023), 1, S. 92-101

Dialysis diffusion kinetics are investigated via in situ NMR spectroscopy for numerous different raw polymeric solutions to result in a general guideline for polymer purification using dialysis. In several approaches, a polymer was on purpose contaminated with its respective monomer, regenerated conducting conventional dialysis and monitored online utilizing in situ NMR spectroscopy. Consequently, polymer type and molar mass, monomer type, molar mass cut-off of the dialysis tubing and type of solvent were varied resulting in 29 different purification approaches and over 40 000 NMR-spectra. As a result, several major parameters were identified affecting the purification process significantly such as the chosen solvent, viscosity and alpha value. On the contrary, parameters such as dialysis tubing molar mass cut-off and molar mass of the polymer did not affect the purification in a significant manner. Furthermore, physical properties such as density, viscosity, alpha value, and dipole moment of the ingredients were combined in a principal component analysis in order to identify the most important parameters.



https://doi.org/10.1039/D2PY00972B
Xu, Changfan; Dong, Yulian; Shen, Yonglong; Zhao, Huaping; Li, Liqiang; Shao, Guosheng; Lei, Yong
Fundamental understanding of nonaqueous and hybrid Na-CO2 batteries: challenges and perspectives. - In: Small, ISSN 1613-6829, Bd. 19 (2023), 15, 2206445, S. 1-30

Alkali metal-CO2 batteries, which combine CO2 recycling with energy conversion and storage, are a promising way to address the energy crisis and global warming. Unfortunately, the limited cycle life, poor reversibility, and low energy efficiency of these batteries have hindered their commercialization. Li-CO2 battery systems have been intensively researched in these aspects over the past few years, however, the exploration of Na-CO2 batteries is still in its infancy. To improve the development of Na-CO2 batteries, one must have a full picture of the chemistry and electrochemistry controlling the operation of Na-CO2 batteries and a full understanding of the correlation between cell configurations and functionality therein. Here, recent advances in CO2 chemical and electrochemical mechanisms on nonaqueous Na-CO2 batteries and hybrid Na-CO2 batteries (including O2-involved Na-O2/CO2 batteries) are reviewed in-depth and comprehensively. Following this, the primary issues and challenges in various battery components are identified, and the design strategies for the interfacial structure of Na anodes, electrolyte properties, and cathode materials are explored, along with the correlations between cell configurations, functional materials, and comprehensive performances are established. Finally, the prospects and directions for rationally constructing Na-CO2 battery materials are foreseen.



https://doi.org/10.1002/smll.202206445
Espuny Díaz, Alberto; Girao, Antonio
Hamiltonicity of graphs perturbed by a random regular graph. - In: Random structures & algorithms, ISSN 1098-2418, Bd. 62 (2023), 4, S. 857-886

https://doi.org/10.1002/rsa.21122
Espuny Díaz, Alberto;
Hamiltonicity of graphs perturbed by a random geometric graph. - In: Journal of graph theory, ISSN 1097-0118, Bd. 103 (2023), 1, S. 12-22

We study Hamiltonicity in graphs obtained as the union of a deterministic n-vertex graph H with linear degrees and a d-dimensional random geometric graph G d (n, r) for any d ≥ 1. We obtain an asymptotically optimal bound on the minimum r for which a.a.s. H ∪ G d (n, r) is Hamiltonian. Our proof provides a linear time algorithm to find a Hamilton cycle in such graphs.



https://doi.org/10.1002/jgt.22901