Article
Chemistry, Physical
Tong Yang, Ke Yang, Tao Zhu, Ting Ting Song, Tian Bao, Jun Zhou, Shi Jie Wang, Yunjiang Jin, Martin Callsen, Ming Yang
Summary: The structural reconstruction-modulated electronic, polaronic, and excitonic properties of a non-layered oxide at the monolayer limit are uncovered in this study. The stable titanium dioxide (TiO2) monolayer is shown to have distinct surface Kagome sublattices with a topologically nontrivial flat band at the valence band edge. The monolayer TiO2 exhibits strong electron-lattice coupling, which results in the formation of small electron polarons and a reduced band gap energy into the visible light range.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Pablo F. Ibanez-Ibanez, F. Javier Montes Ruiz-Cabello, Miguel A. Cabrerizo-Vilchez, Miguel A. Rodriguez-Valverde
Summary: The study found that surface deformability is more important in reducing ice adhesion for ice phobic materials, while hydrophobicity is more crucial in tensile mode. Additionally, oil infusion can further decrease ice adhesion, leading to the identification of surfaces with super-low ice adhesion.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2022)
Article
Chemistry, Physical
Florent Goujon, Aziz Ghoufi, Patrice Malfreyt
Summary: The study reveals the presence of a two-dimensional hydrogen bond network in the layer closest to graphene, and quantifies the strengthening of intermolecular interactions in liquids by calculating interface tension with a graphene monolayer.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Jinhua Wang, Gyaneshwar P. Srivastava
Summary: The study examined the structural stability and electronic properties of lateral monolayer transition metal chalcogenide superlattice nanoribbons, focusing on the effects of varying width, periodicity, cationic and anionic elements, biaxial strain, and edge passivation on the band gap. Various combinations of elements for passivation were found to affect the energy band gap, with differences in band gap states observed between edge and inside vacancies. The electronic orbitals around Mo vacancies were found to play a crucial role in determining band gap properties.
Article
Multidisciplinary Sciences
Xin Wu, Patrick Wang, William Lewis, Yun-Bao Jiang, Philip A. Gale
Summary: This study investigates the quantification of anion binding within lipid bilayers using a fluorescent macrocycle with strong sulfate affinity. The authors discover that the determinants of anion binding in lipid bilayers differ from those in solution. These findings provide insights into the principles of anion binding within lipid bilayers and have implications for the design of functional molecular systems at biomembrane interfaces.
NATURE COMMUNICATIONS
(2022)
Article
Materials Science, Multidisciplinary
Xiaolei Chen, Remi Dingreville, Thiebaud Richeton, Stephane Berbenni
Summary: This study presents a combination of machine-learned models to predict the surface elastic properties of free surfaces in face-centered cubic metals. The models were built using a semi-analytical method and artificial neural network or boosted regression tree method, and accurately predicted the surface elastic properties of seven pure FCC metals. The correlations between bulk and surface properties were also investigated, and a method for fast predictions of surface energy was proposed.
JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS
(2022)
Article
Chemistry, Physical
Huan Lou, Udo Schwingenschlogl, Guochun Yang
Summary: In this study, a two-dimensional catalyst FeC6N monolayer based on earth-abundant elements was designed. This catalyst showed high structural stability and inherent metallicity. It exhibited comparable catalytic activity to platinum in hydrogen evolution for water splitting, making it an ideal catalyst for alternative energy source.
APPLIED SURFACE SCIENCE
(2023)
Article
Multidisciplinary Sciences
Ruishi Qi, Ruochen Shi, Yuehui Li, Yuanwei Sun, Mei Wu, Ning Li, Jinlong Du, Kaihui Liu, Chunlin Chen, Ji Chen, Feng Wang, Dapeng Yu, En-Ge Wang, Peng Gao
Summary: Four-dimensional electron energy-loss spectroscopy measurements reveal localized modes at heterointerfaces that impact thermal conductance and electron mobility. Experimental challenges stem from the need to achieve combined spatial, momentum, and spectral resolutions to probe these modes effectively.
Article
Mechanics
Xiaokun Huang, Shukun Duan, Qiang Liu, Jianguo Nie, Weitao Han
Summary: This study investigates the buckling behavior of laminated glass columns with elastic lateral restraint under axial compression through experimental and analytical methods, analyzing the influences of adhesive and glass column size on their buckling resistance. Practical engineering design methods for laminated glass columns carrying axial loads are proposed and validated for their reliability through comparison with test results.
COMPOSITE STRUCTURES
(2022)
Article
Physics, Applied
Yipeng Zhao, Shilin Tan, Gang Ouyang
Summary: The study reveals that the interface band alignment of the WS2/WSe2 lateral heterojunction transitions from type II to type I at 7.8% tensile strain, with an optimized power conversion efficiency of up to approximately 4.41%. This method provides crucial guidance for designing high-quality solar cell devices composed of lateral two-dimensional heterostructures.
JOURNAL OF PHYSICS D-APPLIED PHYSICS
(2021)
Article
Physics, Applied
Xiaoyu Huang, Chun-Yao Niu, Jinping Zhang, Aihua Wang, Yuling Song, Yu Jia
Summary: The CaAs3 monolayer is identified as an excellent auxetic material with large negative Poisson's ratio value and extraordinary flexibility, moderate electrical conductance, and tunability of optical absorption. Its unique crystal structure gives rise to anisotropy in basic mechanical parameters, making it suitable for designing electromechanical and photoelectric devices.
APPLIED PHYSICS LETTERS
(2021)
Article
Materials Science, Multidisciplinary
Hui Zhang, Zi-Hao Yue, Fan-Shun Meng
Summary: A novel two-dimensional monolayer B2P6 allotrope with stable structure, anisotropic properties, high carrier mobility, and effective optical absorption has been proposed. It shows potential applications in nano-electronic devices and thin-film solar cells, including electrocatalytic hydrogen production.
Article
Materials Science, Multidisciplinary
Abdulla Sarhan, Jawad Alsaei
Summary: A unique and novel SnO2 monolayer structure was introduced and studied using first-principles calculations based on density functional theory (DFT). It was found that no lateral stress was resulted on bonds by the applied longitudinal strain, and a higher area stiffness was found for biaxially placed strains due to bending of the Sn-O-Sn bonds imposing a direct strain on the Sn-O bonds. Additionally, the band gap varied from semiconductor energy at equilibrium atomic geometry to narrower gap with the application of biaxial strain.
COMPUTATIONAL MATERIALS SCIENCE
(2021)
Article
Engineering, Geological
Chuan-Gen Gong, Wei Wang, Jian-Fu Shao, Ru-Bin Wang, Xiao-Wei Feng
Summary: The study investigates the effects of chemical corrosion on mechanical properties of pre-fissured red sandstone samples. Cylinder samples with single fissures are immersed in different chemical solutions and filled with gypsum. Uniaxial compression tests are conducted to analyze the changes in elastic properties and compression strength, as well as cracking patterns during the tests.
Article
Polymer Science
Ahmed Abd El-Fattah, Heba Youssef, Mohamed Abdel Hady Gepreel, Rafik Abbas, Sherif Kandil
Summary: The research found that adding 10 wt% of nano-silica improved the elastic modulus, flexural strength, and microhardness of PEEK nanocomposites. However, adding nano-silica fillers in a higher weight percentage, over 10%, significantly damages the mechanical characteristics of the nanocomposite.
Article
Materials Science, Multidisciplinary
Arvind Kumar Chauhan, Deepak Kumar, Kuldeep Mishra, Amarjeet Singh
Summary: This study reports the enhanced electrochemical performance of a porous gel polymer electrolyte with active fillers, significantly improving ionic conductivity, Na+ ion transference number, and electrochemical stability window. The optimized electrolyte composition with high liquid retention, conductivity, and transport properties can be utilized for upcoming sodium batteries operating at room temperature.
MATERIALS TODAY COMMUNICATIONS
(2021)
Article
Chemistry, Multidisciplinary
Vladimir M. Kaganer, Oleg Konovalov, Sergio Fernandez-Garrido
Summary: Small-angle X-ray scattering from GaN nanowires grown on Si(111) was measured and modeled using Monte Carlo simulation, indicating that scattering intensity at large wavevectors depends on the orientation of side facets and is reduced by surface roughness.
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES
(2021)
Article
Engineering, Chemical
D. Petukhov, A. S. Kan, A. P. Chumakov, O. Konovalov, R. G. Valeev, A. A. Eliseev
Summary: The specific properties of O- and OH-terminated Ti3C2Tx nanosheets contribute to the permeance and sorption type selectivity of MXene membranes. These membranes demonstrate high separation factors and permeances for ammonia and water vapors, with strong sorption capacities and labyrinthine transport. The diffusion coefficient of strongly absorbed gases increases with pressure, and the interlayer distance expands, reducing activation barriers for hopping diffusion. Demonstrated characteristics make Ti3C2Tx nanosheets a promising candidate for developing ammonia selective membranes.
JOURNAL OF MEMBRANE SCIENCE
(2021)
Article
Polymer Science
Roberta Ruffino, Luca Fichera, Andrea Valenti, Maciej Jankowski, Oleg Konovalov, Grazia M. L. Messina, Antonino Licciardello, Nunzio Tuccitto, Giovanni Li-Destri, Giovanni Marletta
Summary: The study investigated the effect of substrates with uniform nanocurvature on the structure of deposited thin films of high molecular weight regio-regular poly(3-hexylthiophene) (P3HT). It was found that substrate curvature influences both the lamellar persistence length and the 3D orientation, leading to changes in dark conductivity measurements. The results suggest a strong correlation between the dark conductivity increase and curvature-induced lamellar features in regio-regular P3HT thin films.
Article
Chemistry, Multidisciplinary
Prince Ravat, Hikaru Uchida, Ryosuke Sekine, Ko Kamei, Akihisa Yamamoto, Oleg Konovalov, Motomu Tanaka, Teppei Yamada, Koji Harano, Eiichi Nakamura
Summary: This article reports the de novo synthesis of a 3-nm-thick nanofilm intercalating a hydrogen-bonded network between two layers of fullerene molecules, leading to high proton conductivity. The film can be uniformly formed at an air/water interface and transferred to various substrates, showing reversible bending under electron beam irradiation.
ADVANCED MATERIALS
(2022)
Article
Chemistry, Physical
Oscar Telschow, Miguel Albaladejo-Siguan, Lena Merten, Alexander D. Taylor, Katelyn P. Goetz, Tim Schramm, Oleg Konovalov, Maciej Jankowski, Alexander Hinderhofer, Fabian Paulus, Frank Schreiber, Yana Vaynzof
Summary: Applying antisolvent via carrier-gas free spraying helps to better preserve the stoichiometry of lead halide perovskite layers. The photovoltaic performance of triple cation photovoltaic devices fabricated in an inverted architecture is enhanced using sprayed antisolvent, resulting in power conversion efficiencies as high as 21% and improved stability compared to devices fabricated by pipetting the antisolvent.
JOURNAL OF MATERIALS CHEMISTRY A
(2022)
Article
Chemistry, Multidisciplinary
Roman Volkov, Nikolai Borgardt, Oleg Konovalov, Sergio Fernandez-Garrido, Oliver Brandt, Vladimir M. Kaganer
Summary: The study of GaN nanowires by transmission electron microscopy and X-ray scattering reveals that the cross-sectional shape of the nanowires evolves differently along the length, with {1100} side facets at the top and roundish shapes at the bottom. This is attributed to the different growth environments at the top and bottom of the nanowires, where axial growth and annealing processes occur, respectively. Grazing incidence small-angle X-ray scattering independently confirms these trends in the shape evolution of the sidewall facets.
NANOSCALE ADVANCES
(2022)
Article
Instruments & Instrumentation
Oleg Konovalov, Valentina Belova, Francesco La Porta, Mehdi Saedi, Irene M. N. Groot, Gilles Renaud, Irina Snigireva, Anatoly Snigirev, Maria Voevodina, Chen Shen, Andrea Sartori, Bridget M. Murphy, Maciej Jankowski
Summary: This paper presents a method for X-ray reflectivity measurement on highly curved liquid surfaces. With the use of a synchrotron diffractometer equipped with a double crystal beam deflector, the curved surfaces of liquid metals can be measured, providing electron-density profiles with atomic resolution accuracy. The proposed method is successfully applied to study the bare surface of molten copper and molten copper covered by a graphene layer.
JOURNAL OF SYNCHROTRON RADIATION
(2022)
Article
Biochemistry & Molecular Biology
Bob-Dan Lechner, Paul Smith, Beth McGill, Skye Marshall, Jemma L. Trick, Andrei P. Chumakov, Charles Peter Winlove, Oleg Konovalov, Christian D. Lorenz, Peter G. Petrov
Summary: This study provides evidence that oxidation of cholesterol has significant effects on the mechanical properties, molecular and mesoscopic organisation, and lipid-sterol interactions in lipid membranes.
Article
Chemistry, Multidisciplinary
Hao Gao, Valentina Belova, Francesco La Porta, Juan Santiago Cingolani, Mie Andersen, Mehdi Saedi, Oleg Konovalov, Maciej Jankowski, Hendrik H. Heenen, Irene M. N. Groot, Gilles Renaud, Karsten Reuter
Summary: This research employs innovative in situ and in silico techniques to achieve an atomic-level characterization of graphene adsorption height above liquid copper, with quantitative agreement within 0.1 angstrom between experiment and theory.
Article
Instruments & Instrumentation
Maciej Jankowski, Valentina Belova, Yuriy Chushkin, Federico Zontone, Matteo Levantino, Theyencheri Narayanan, Oleg Konovalov, Annalisa Pastore
Summary: The Complex System and Biomedical Sciences (CBS) group at the European Synchrotron Radiation Facility (ESRF) in Grenoble specializes in studying various materials and systems, including soft and hard condensed matter, nanomaterials, and biological materials. They use scattering techniques such as X-ray diffraction and reflectivity to explore the structure and dynamics of different systems. With the recent upgrade of the ESRF storage ring, the facility has become the world's first high-energy synchrotron of the 4th generation, offering new experimental opportunities for nanoscale research. This contribution discusses the impact of the upgrade on selected beamlines in the CBS group and presents recent scientific activities after the facility reopening.
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS
(2023)
Article
Chemistry, Multidisciplinary
Valentina Belova, Maciej Jankowski, Mehdi Saedi, Irene M. N. Groot, Gilles Renaud, Oleg V. Konovalov
Summary: This study demonstrates the possibility of using X-ray reflectivity to visualize the surface with a heterogeneous electron density due to a partial coverage by another nanometrically thin material with μm spatial resolution. The sample needs to be convexly bent to reflect the collimated incident beam onto a magnified image recorded by a position-sensitive detector. By utilizing small, intense, and parallel beams, spatially resolved X-ray reflectivity can be recorded with a frame rate of 0.1-1 kHz. The application of this method for in situ characterization of single-layer graphene domains during their chemical vapor deposition on a naturally curved surface of a liquid copper drop is also demonstrated.
ADVANCED MATERIALS INTERFACES
(2023)
Article
Chemistry, Multidisciplinary
Vladimir M. Kaganer, Oleg Konovalov, Gabriele Calabrese, David van Treeck, Albert Kwasniewski, Carsten Richter, Sergio Fernandez-Garrido, Oliver Brandt
Summary: GaN nanowires grown on Ti films sputtered on Al2O3 were studied using X-ray diffraction and grazing-incidence small-angle X-ray scattering. Different crystallites, including Ti, TiN, Ti3O, Ti3Al, and Ga2O3, were observed in the Ti film. The GaN nanowires exhibited a high degree of epitaxial orientation with the substrate due to the topotaxial crystallites in the Ti film. The size distributions and relative fractions of different side facets of the nanowires were determined using the Monte Carlo method and GISAXS.
JOURNAL OF APPLIED CRYSTALLOGRAPHY
(2023)
Article
Instruments & Instrumentation
Linus Pithan, Vladimir Starostin, David Marecek, Lukas Petersdorf, Constantin Voelter, Valentin Munteanu, Maciej Jankowski, Oleg Konovalov, Alexander Gerlach, Alexander Hinderhofer, Bridget Murphy, Stefan Kowarik, Frank Schreiber
Summary: Recently, there has been a growing interest in applying machine-learning techniques to automated analysis of X-ray scattering experiments. This study describes the incorporation of a combined one-dimensional convolutional neural network and multilayer perceptron for extracting physical thin-film parameters and taking prior knowledge into account. Experimental results demonstrate the accuracy and stability of this method.
JOURNAL OF SYNCHROTRON RADIATION
(2023)
Article
Polymer Science
Roberta Ruffino, Maciej Jankowski, Oleg Konovalov, Francesco Punzo, Nunzio Tuccitto, Giovanni Li-Destri
Summary: We investigated the effect of nanoscale curvature on the structure of thermally equilibrated P3HT ultrathin films using GIXRD and AFM. The results demonstrate that nanoscale curvature reduces the polymer crystalline fraction and the crystal length, and the crystal anisotropy shows a marked dependence on the substrate curvature.
Article
Chemistry, Physical
Yiping Yin, Zhe Wang, Hua Zou
Summary: This study presents a novel method for preparing dimpled polymer-silica nanocomposite particles using interfacial swelling-based seeded polymerization. The optimized conditions allow for a relatively high percentage of dimpled particles to be achieved.
Article
Chemistry, Physical
Brenden D. Hoehn, Elizabeth A. Kellstedt, Marc A. Hillmyer
Summary: Porous materials with nanometer-scale pores have important applications as nanoporous membranes. In this study, ABA triblock copolymers were used as precursors to produce nanoporous polymeric membranes (NPMs) in thin film form by degrading the end blocks. Polycyclooctene (PCOE) NPMs with tunable pore sizes were successfully prepared using solvent casting technique. Oxygen plasma etching was employed to improve the surface porosity and hydrophilicity of the membranes. This study provides a straightforward method to produce tough NPMs with high porosity and hydrophilic surface properties.
Article
Chemistry, Physical
Vladislav S. Petrovskii, Stepan I. Zholudev, Igor I. Potemkin
Summary: This article investigates the behavior of linear and ring polypeptide chains in aqueous solution and explores the properties of the complexes formed by these chains with oppositely charged surfactants. The results demonstrate that the complexes of linear supercharged unfolded polypeptides and the corresponding surfactants exhibit impressive adhesive properties.
Article
Chemistry, Physical
Merve Cevik, Serkan Dikici
Summary: Cardiovascular diseases are a leading cause of death globally, and vascular grafts are a promising treatment option. This study focuses on tissue-engineered vascular grafts (TEVGs) using decellularized parsley stems as a potential biomaterial. The decellularized parsley stems showed suitable properties for TEVGs, providing a suitable environment for human endothelial cells to form a pseudo endothelium. This study showcases the potential of using parsley stems for TEVGs.
Article
Chemistry, Physical
Gustavo A. Vasquez-Montoya, Tadej Emersic, Noe Atzin, Antonio Tavera-Vazquez, Ali Mozaffari, Rui Zhang, Orlando Guzman, Alexey Snezhko, Paul F. Nealey, Juan J. de Pablo
Summary: The optical properties of liquid crystals are typically controlled by electric fields. In this study, we investigate the effects of microfluidic flows and acoustic fields on the molecular orientation and optical response of nematic liquid crystals. We identify several previously unknown structures and explain them through calculations and simulations. These findings hold promise for the development of new systems combining sound, flow, and confinement.
Article
Chemistry, Physical
Xinjun Wu, Xin Guan, Shushu Chen, Jiangpeng Jia, Chongyi Chen, Jiawei Zhang, Chuanzhuang Zhao
Summary: This research presents a novel shape memory hydrogel with a remodelable permanent shape and programmable cold-induced shape recovery behavior. The hydrogel is prepared using specific treatment methods to achieve shape fixation by heating and shape recovery by cooling. Additionally, deformable devices can be obtained by assembling hydrogel blocks with different concentrations.
Article
Chemistry, Physical
Rebecca Hengsbach, Gerhard Fink, Ulrich Simon
Summary: This study examines the properties of DNA functionalized pNipmam microgels and pure pNipmam microgels at different concentrations of sodium chloride and in PBS solutions using temperature dependent H-1-NMR measurements. The results show that DNA modification affects the volume phase transition temperature and the addition of salt and PBS further enhances this effect.
Article
Chemistry, Physical
Ningyi Li, Junhong Li, Lijingting Qing, Shicheng Ma, Yao Li, Baohui Li
Summary: This paper investigates the self-assembly behavior of colloids with competing interactions under spherical confinement and finds that different ordered structures can be formed under different sized spherical confinements. Moreover, more perforated structures are formed in smaller spheres.