Article
Chemistry, Inorganic & Nuclear
S. Rouziere, V Baledent, E. Paineau, E. Elkaim, T. Bizien, L. Nataf, Y. Pan, P. Launois
Summary: We performed in situ pressure experiments on aluminogermanate nanotubes using X-ray scattering and absorption spectroscopy measurements. The effects of morphology, organization, and functionalization on the structural transformations under hydrostatic pressure below 10 GPa were investigated. It was found that isolated nanotubes exhibit radial deformations, while bundled nanotubes undergo ovalization and hexagonalization. Radial collapse was observed in single-walled nanotubes but not in double-walled nanotubes. The collapse onset pressure value was influenced by the transmitting pressure medium used. The axial Young's moduli of different types of nanotubes were determined.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Viviane V. Nascimento, Wellington Q. Neves, Rafael S. Alencar, Guanghui Li, Chengyin Fu, Robert C. Haddon, Elena Bekyarova, Juchen Guo, Simone S. Alexandre, Ricardo W. Nunes, Antonio G. Souza Filho, Cristiano Fantini
Summary: This study explains the mechanism behind the strong enhancement of Raman signals of sulfur chains encapsulated by single-wall carbon nanotubes, and demonstrates the influence of excited nanotube-chain-hybrid electronic states on the signal enhancement through experimental observations and theoretical calculations.
Article
Chemistry, Multidisciplinary
Siyuan Fang, Xiao Tong, Dario Stacchiola, Yun Hang Hu
Summary: In this study, we report the formation of solid-state crystals through assembly of the dense HB phosphorous-nitrogen isomers via P···H and P···N bonds and axial D···D interactions. This novel reaction provides a new approach for designing and constructing various molecular crystal materials.
CHEMICAL COMMUNICATIONS
(2023)
Article
Chemistry, Physical
W. Q. Neves, R. S. Ferreira, Y. A. Kim, M. Endo, G. B. Choi, H. Muramatsu, A. L. Aguiar, R. S. Alencar, A. G. Souza Filho
Summary: In this paper, high-pressure Raman experiments were conducted on linear carbon chains encapsulated by multi-walled and double-walled carbon nanotubes. The experiments revealed the softening and disappearance of carbon chain modes under high pressure, which were attributed to chain coalescence and tube-chain cross-linking. Computational simulations supported the experimental observations and suggested the possibility of obtaining special structures of carbon chains and composites under high pressure.
Article
Chemistry, Physical
Umedjon Khalilov, Erik C. Neyts
Summary: The study examines the confinement effects inside a carbon nanotube and the competition mechanism between catalyst and feedstock in nanostructure synthesis, focusing on the growth mechanism and structure morphology of encapsulated carbon nanostructures. It is found that the encapsulated nanostructures contain metal atoms and are less stable than their pure counterparts, leading to a study on the purification mechanism of these structures. Overall, this research provides a possible pathway for the controllable synthesis of tubular and planar carbon nanostructures for today's nanotechnology.
Article
Chemistry, Multidisciplinary
A. Tripathi, S. S. Pathak, L. S. Panchakarla, H. B. Singh
Summary: In this study, we present the synthesis and characterization of tubular molecular self-assembly of designed telluropeptide 1 under physiological pH conditions. The telluropeptide nano-/microtubes undergo a controlled oxidation of telluro-amino acid residues by hydrogen peroxide, resulting in the formation of solid/hollow spheres or vesicles and ring-like structures.
MATERIALS TODAY CHEMISTRY
(2023)
Article
Chemistry, Physical
Thiago A. Moura, Wellington Q. Neves, Rafael S. Alencar, Y. A. Kim, M. Endo, Thiago L. Vasconcelos, Deyse G. Costa, Graziani Candiotto, Rodrigo B. Capaz, Paulo T. Araujo, Antonio G. Souza Filho, Alexandre R. Paschoal
Summary: The unique electronic and vibrational properties of linear carbon chains (LCCs) have attracted attention recently. Raman spectroscopy has been widely used to identify LCC and study its properties. This study investigates the optical resonance window of LCCs encapsulated by multi-walled carbon nanotubes (MWCNTs) and a Raman signature assigned to the LCC's longitudinal acoustic phonon mode. First-principles calculations support the conclusions.
Article
Materials Science, Multidisciplinary
Dan Zhao, Rui Liu, Cheng Luo, Yang Guo, Chengyi Hou, Qinghong Zhang, Yaogang Li, Wei Jia, Hongzhi Wang
Summary: The study focuses on the in-situ assembly of carbon nanotubes (CNTs) using macroscopic dielectrophoresis, overcoming the limitation of small size in traditional manipulation methods. Through optimizing voltage and frequency, ordered CNTs chains can be obtained under the action of alternating current dielectrophoresis, which can restore immediately upon powering up after being damaged. Different conductive patterns on non-woven fabric can be achieved by controlling the position of the electrodes in a wet environment.
ADVANCED FIBER MATERIALS
(2021)
Review
Chemistry, Multidisciplinary
Aris Chatzichristos, Jamal Hassan
Summary: Confined water inside carbon nanotubes has unique properties and wide applications. This review provides an overview of the properties of water in carbon nanotubes, based on nuclear magnetic resonance and molecular dynamics studies. It explains contradictory results in the literature and identifies debatable issues, open problems, and future research directions.
Article
Physics, Multidisciplinary
F. Sadeghi, S. Ajori
Summary: This paper investigates the dynamic behavior of nano-oscillators made of lysozyme molecule inside titania nanotubes and analyzes the effects of electrostatic and van der Waals interactions on the oscillation frequency. The results show that the net charge of lysozyme and the size of nanotubes play important roles in the total interactions of the system.
EUROPEAN PHYSICAL JOURNAL PLUS
(2022)
Article
Polymer Science
Yi Yang, Xiaodong Li, Hao Jiang, Mengchen Ge, Xing Su, Meishuai Zou, Guoping Li
Summary: A novel strategy was demonstrated to construct functionalized carbon nanotubes (CNTs) with polyurethane (PU) chains by combining mussel-inspired dopamine chemistry and polycondensation reactions. The poly-dopamine (PDA) was first functionalized to the surface of CNTs, then acted as a bridge and covalently reacted with polyurethane chains to form a network structure called CNTs-PDA-PU, which enhanced the grafting ability of polyurethane chains onto CNTs. The functionalized carbon nanotubes significantly improved the mechanical and damping properties of nanocomposites.
Article
Chemistry, Physical
Fenfa Yao, Mingyue Xia, Qing Zhang, Qiuqin Wu, Osamu Terasaki, Junfeng Gao, Chuanhong Jin
Summary: The confinement effect induced conformational evolution of one-dimensional (1D) phosphorus atomic chains encapsulated inside carbon nanotubes (CNTs) has been studied. The study shows that as the inner diameter of CNTs increases, the phosphorus chains change from monoatomic linear chain to (P8P2)n chains. These encapsulated (P8P2)n chains exhibit excellent structural stability and can serve as potential building blocks for nano-electronic and molecular electronic devices.
Article
Chemistry, Physical
Gayatree Barik, Sourav Pal
Summary: Research on the investigation of new classes and new dimensionalities of materials in nanotechnology is of great importance. In this study, the structural, mechanical, and electronic properties of one-dimensional armchair and zigzag nitrogen nanotubes were investigated. It was found that the formation of armchair nanotubes is more energetically favorable and the electronic band gap is correlated with the tube size and axial strain.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Amit Srivastava, Jamal Hassan, Dirar Homouz
Summary: Water dynamics in nanochannels, especially in small carbon nanotubes, are influenced by confinement. Molecular dynamics simulations were performed to investigate the structure and dynamics of water in carbon nanotubes of various sizes and temperatures. The results showed that the radial density profile of water in small nanotubes had a single peak near the tube walls, while larger nanotubes exhibited coaxial tubular sheets of water molecules. Subdiffusive behavior was observed in ultra-narrow nanotubes, while Fickian diffusion was evident in larger nanotubes. The hydrogen bond correlation function of water in the nanotubes decayed slower than in bulk water, with the decay rate decreasing as the nanotube diameter increased.
Article
Chemistry, Physical
M. L. Pereira Junior, W. F. da Cunha, R. T. de Sousa Junior, G. D. Amvame Nze, D. S. Galva, L. A. Ribeiro Junior
Summary: This study investigates the dynamics and structural transformations of carbon nano-onions (CNO) under high-velocity impacts using molecular dynamics simulations. The results suggest a new synthesis route for converting onions to diamonds through mechanical impact.
Article
Physics, Atomic, Molecular & Chemical
A. Alfonsov, B. Buechner, V. Kataev
Summary: The study proposes the use of a cantilever-based setup to overcome challenges posed by small sample sizes, enabling detection of static magnetic response and ESR signal in novel magnetic materials samples.
APPLIED MAGNETIC RESONANCE
(2022)
Article
Chemistry, Physical
Morgan C. Allison, Sabine Wurmehl, Bernd Buechner, Joseph L. Vella, Tilo Soehnel, Sascha A. Braeuninger, Hans-Henning Klauss, Maxim Avdeev, Frederick P. Marlton, Siegbert Schmid, Chris D. Ling
Summary: FeMn3Ge2Sn7O16 is a fully ordered stoichiometric phase with an undistorted hexagonal kagome' lattice of Mn2+ cations. By replacing silicon with germanium and anisotropic high-spin Fe2+ with isotropic high-spin Mn2+, the perfection of the kagome lattice is improved, ruling out single-ion anisotropy as the driving force for the unique properties of the compounds.
CHEMISTRY OF MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Vitaliy Romaka, Ahmad Omar, Wolfgang Loeser, Bernd Buechner, Sabine Wurmehl
Summary: Investigations into the thermodynamic phase diagram of Co-based Heusler phases, focusing on the quaternary region of CoCrCoAl-CoFe, revealed critical points and immiscibility regions through DFT and thermodynamic calculations, offering valuable insights for materials design.
COMPUTATIONAL MATERIALS SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Olga Kataeva, Kamil Ivshin, Kirill Metlushka, Kristina Nikitina, Vera Khrizanforova, Yulia Budnikova, Robert R. Fayzullin, Shamil Latypov, Sandra Schiemenz, Michael Bretschneider, Alexey Popov, Stanislav Avdoshenko, Yulia Krupskaya, Bernd Buchner, Martin Knupfer
Summary: A series of new charge-transfer cocrystals of F(2)TCNQ with anthracene, tetracene, and chrysene were prepared and characterized. The study revealed that face-to-face pi-pi interactions are crucial for the formation of cocrystals, but lateral noncovalent interactions also play a significant role in the supramolecular arrangement and charge transfer. UV/vis spectroscopy and electronic structure quantum chemical calculations classified these cocrystals as small-gap semiconductors with energy gaps of 0.7-1.3 eV.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Nanoscience & Nanotechnology
Daniel Wolf, Sebastian Schneider, Ulrich K. Rossler, Andras Kovacs, Marcus Schmidt, Rafal E. Dunin-Borkowski, Bernd Buechner, Bernd Rellinghaus, Axel Lubk
Summary: Holographic vector-field electron tomography quantitatively reconstructed the three-dimensional magnetic texture of Bloch skyrmion tubes in FeGe with sub-10-nanometre resolution, revealing complex three-dimensional modulations and fundamental principles of skyrmion formation.
NATURE NANOTECHNOLOGY
(2022)
Article
Physics, Multidisciplinary
Rui Lou, Alexander Fedorov, Qiangwei Yin, Andrii Kuibarov, Zhijun Tu, Chunsheng Gong, Eike F. Schwier, Bernd Buechner, Hechang Lei, Sergey Borisenko
Summary: The entanglement of charge density wave (CDW), superconductivity, and topologically nontrivial electronic structure has been discovered in the kagome metal AV3Sb5 (A = K, Rb, Cs) family recently. Using high-resolution angle-resolved photoemission spectroscopy, the electronic properties of CDW and superconductivity in CsV3Sb5 are studied. The spectra around K over line exhibit a peak-dip-hump structure associated with two separate branches of dispersion, indicating the isotropic CDW gap opening below EF. The presence of a superconducting gap on both the electron band around Gamma over line and the flat band around K suggests multiband superconductivity. Our results shed light on the controversial origin of the CDW and provide insights into the relationship between CDW and superconductivity.
PHYSICAL REVIEW LETTERS
(2022)
Article
Chemistry, Physical
Lorenzo Francesco Madeo, Patrizia Sarogni, Giuseppe Cirillo, Orazio Vittorio, Valerio Voliani, Manuela Curcio, Tyler Shai-Hee, Bernd Buechner, Michael Mertig, Silke Hampel
Summary: A hybrid hydrogel was developed by loading curcumin onto graphene oxide nanosheets and blending them into an alginate hydrogel. The resulting system showed improved stability and exhibited strong anticancer effects.
Article
Materials Science, Multidisciplinary
T. Klaproth, E. Mueller, C. Habenicht, B. Buechner, M. Knupfer, M. Roslova, A. Isaeva, T. Doert, A. Koitzsch
Summary: Transition metal trichlorides exhibit peculiar and versatile magnetic properties. This study reveals that transition metal substitution can modify the optical properties of the host without compromising its electronic structure. The findings highlight the potential of material engineering in trichlorides.
PHYSICAL REVIEW MATERIALS
(2022)
Article
Chemistry, Physical
Felix Talnack, Sebastian Hutsch, Michael Bretschneider, Yulia Krupskaya, Bernd Buechner, Marc Malfois, Mike Hambsch, Frank Ortmann, Stefan C. B. Mannsfeld
Summary: Polymorphism refers to the ability of many organic molecules to adopt different crystal structures without changing their chemical structure. It has been found to have an impact on the solid-state properties of organic materials, such as charge transport in organic semiconductors. In this study, a new polymorphic crystal structure of the p-type small molecule semiconductor C10-DNTT is presented. The transition between different crystal structures was observed during heating, and the thin-film crystal structure of both polymorphs was refined using optical microscopy and X-ray scattering measurements. The thermal expansion and anisotropic molecular interactions were further analyzed using density-functional theory calculations.
MOLECULAR SYSTEMS DESIGN & ENGINEERING
(2022)
Article
Chemistry, Multidisciplinary
Felix Hansen, Rico Fucke, Titouan Charvin, Samuel Froeschke, Daniel Wolf, Romain Giraud, Joseph Dufouleur, Nico Graessler, Bernd Buechner, Peer Schmidt, Silke Hampel
Summary: This study proposes a method for the synthesis of mixed crystals of bismuth and antimony tellurides, which belong to the V2VI3 material family. The ideal synthesis conditions were determined through thermodynamic calculations and optimization experiments. The synthesized nanosheets exhibit high crystallinity and quality, with a significantly reduced carrier density compared to the binary compounds.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Chemistry, Multidisciplinary
Bertold Rasche, Julius Brunner, Tim Schramm, Madhav Prasad Ghimire, Ulrike Nitzsche, Bernd Buchner, Romain Giraud, Manuel Richter, Joseph Dufouleur
Summary: This paper presents a method using atomic force microscopy to measure the cleavage energy of van der Waals materials and quasi-two-dimensional materials. The method is validated through experiments and can be used as a tool for manipulating exfoliated flakes, offering a new route for the fabrication of nanostructures.
Article
Physics, Multidisciplinary
Seung-Ho Baek, Yeahan Sur, Kee Hoon Kim, Matthias Vojta, Bernd Buechner
Summary: Single crystals of pristine and 6% Pd-intercalated 2H-TaSe2 were studied using Se-77 nuclear magnetic resonance. The Se-77 spectrum showed line narrowing upon Pd intercalation, indicating the presence of correlated local lattice distortions above the charge density wave (CDW) transition temperature. The Knight shift data suggested a partial Fermi surface gap opening in the incommensurate CDW transition. The spin dynamics study revealed a pseudogap behavior dominating the low-energy spin excitations, which gets stronger along with superconductivity in the Pd-6% sample.
NEW JOURNAL OF PHYSICS
(2022)
Article
Multidisciplinary Sciences
Shu-Jen Wang, Michel Panhans, Ilia Lashkov, Hans Kleemann, Federico Caglieris, David Becker-Koch, Joern Vahland, Erjuan Guo, Shiyu Huang, Yulia Krupskaya, Yana Vaynzof, Bernd Buechner, Frank Ortmann, Karl Leo
Summary: The charge and thermoelectric transport in modulation-doped large-area rubrene thin-film crystals with different crystal phases were investigated. The results showed that modulation doping, together with high-mobility crystalline organic semiconductor films, is a previously unexplored strategy for achieving high-performance organic thermoelectrics. Theoretical studies provided insight into the energy landscape of the heterostructures and its influence on qualitative trends of the Seebeck coefficient.
Article
Materials Science, Multidisciplinary
A. S. Sukhanov, Y. V. Tymoshenko, A. A. Kulbakov, A. S. Cameron, V. Kocsis, H. C. Walker, A. Ivanov, J. T. Park, V. Pomjakushin, S. E. Nikitin, I. V. Morozov, I. O. Chernyavskii, S. Aswartham, A. U. B. Wolter, A. Yaresko, B. Buechner, D. S. Inosov
Summary: FeP is a special material with complex noncollinear spin order. By measuring the spin-excitation spectra, we found that the magnons in FeP have strong anisotropic dispersions. The dominant antiferromagnetic interactions between rigid ferromagnetic spin chains drive the magnetic frustration in FeP.
Article
Materials Science, Multidisciplinary
Vilmos Kocsis, David A. S. Kaib, Kira Riedl, Sebastian Gass, Paula Lampen-Kelley, David G. Mandrus, Stephen E. Nagler, Nicolas Perez, Kornelius Nielsch, Bernd Buechner, Anja U. B. Wolter, Roser Valenti
Summary: In this combined theoretical and experimental research, the anisotropic magnetic and magnetoelastic properties of the Kitaev material alpha-RuCl3 were investigated. Unusually large magnetostriction anisotropy and non-symmetric magnetic anisotropy were observed, and their origins were explained based on the relative orientation of the magnetization with respect to the crystal structure.
