Search

High Performance Space Lubrication of MoS2 with Tantalum (Adv. Funct. Keywords: lubricant; molybdenum disulfide; space; tantalum; ultra-high vacuum EN lubricant molybdenum disulfide space tantalum ultra-high vacuum 1 1 1 05/17/22 20220513 NES 220513 B Space Lubricants b In article number 2110429, Aurélien Saulot, Tobin Filleter, Guillaume Colas, and co-workers engineer a high-performance space lubricant for the extreme environments faced by spacecrafts. Lubricant, molybdenum disulfide, space, tantalum, ultra-high vacuum. [Extracted from the article]

The production of carbon nanotube (CNT) yarns possessing high strength and toughness remains a major challenge due to the intrinsically weak interactions between 'bare' CNTs. To this end, nanomechanical shear experiments between functionalized bundles of CNTs are combined with multiscale simulations to reveal the mechanistic and quantitative role of nanotube surface functionalization on CNT-CNT interactions. Notably, the in situ chemical vapor deposition (CVD) functionalization of CNT bundles by poly(methyl methacrylate) (PMMA)-like oligomers is found to enhance the shear strength of bundle junctions by about an order of magnitude compared with 'bare' van der Waals interactions between pristine CNTs. Through multiscale simulations, the enhancement of the shear strength can be attributed to an interlocking mechanism of polymer chains in the bundles, dominated by van der Waals interactions, and stretching and alignment of chains during shearing. Unlike covalent bonds, such synergistic weak interactions can re-form upon failure, resulting in strong, yet robust fibers. This work establishes the significance of engineered weak interactions with appropriate structural distribution to design CNT yarns with high strength and toughness, similar to the design paradigm found in many biological materials. [ABSTRACT FROM AUTHOR]

In this work, the tribological behavior of ultrathin MoS2 is investigated to understand the independent roles of water and oxidation. Water adsorption is identified as the primary interfacial mechanism for both SiO2/pristine‐MoS2 and SiO2/graphene interfaces, however, tribological behavior of pristine‐MoS2 is observed to be more sensitive to presence of water due to stronger MoS2–water interaction. Comparison of pristine‐MoS2 and oxidized‐MoS2 reveals that the oxidation of MoS2 significantly increases its friction and sensitivity to water by playing a more detrimental role. The specific effect of oxygen on friction via chemical interactions is studied in isolation through density functional theory simulations of a tip sliding on MoS2 basal planes and over edges before and after oxidation. The maximum change in energy, or energy barrier correlating with friction, as the tip moves across the surface, increases after oxidation by up to 66% for the basal plane and by 25% at the edge. Charge density analysis suggests that the more localized and nonuniform interfacial charge distribution on oxygen‐rich surfaces, as compared to pristine surfaces, leads to higher resistance to sliding. This confirms that oxygen presence alone increases friction and when coupled with the presence of water, both effects are additive in increasing friction. [ABSTRACT FROM AUTHOR]

The article discusses the study of the Graphene fatigue through van der Waals interactions. Topics discussed unclude Graphene is often in contact with other materials through weak van der Waals (vdW) interactions; and the graphene-polymer interface, which is constantly subjected to dynamic loading in applications, including flexible electronics and multifunctional coatings.

The article presents a study on nonlinear fracture toughness measurement and crack propagation resistance of functionalized graphene multilayers. It mentions that molecular dynamics simulations revealed that the interactions among functionalized atoms in constituent layers and distinct fracture pathways in individual layers restrict the growth of a preexisting crack.

Inverted perovskite solar cells (PSCs) promise enhanced operating stability compared to their normal-structure counterparts 1-3 . To improve efficiency further, it is crucial to combine effective light management with low interfacial losses 4,5 . Here we develop a conformal self-assembled monolayer (SAM) as the hole-selective contact on light-managing textured substrates. Molecular dynamics simulations indicate that cluster formation during phosphonic acid adsorption leads to incomplete SAM coverage. We devise a co-adsorbent strategy that disassembles high-order clusters, thus homogenizing the distribution of phosphonic acid molecules, and thereby minimizing interfacial recombination and improving electronic structures. We report a laboratory-measured power conversion efficiency (PCE) of 25.3% and a certified quasi-steady-state PCE of 24.8% for inverted PSCs, with a photocurrent approaching 95% of the Shockley-Queisser maximum. An encapsulated device having a PCE of 24.6% at room temperature retains 95% of its peak performance when stressed at 65 °C and 50% relative humidity following more than 1,000 h of maximum power point tracking under 1 sun illumination. This represents one of the most stable PSCs subjected to accelerated ageing: achieved with a PCE surpassing 24%. The engineering of phosphonic acid adsorption on textured substrates offers a promising avenue for efficient and stable PSCs. It is also anticipated to benefit other optoelectronic devices that require light management., (© 2023. The Author(s), under exclusive licence to Springer Nature Limited.)

The interface between two-dimensional (2D) materials and soft, stretchable polymeric substrates is a governing criterion in proposed 2D materials-based flexible devices. This interface is dominated by weak van der Waals forces and there is a large mismatch in elastic constants between the contact materials. Under dynamic loading, slippage, and decoupling of the 2D material is observed, which then leads to extensive damage propagation in the 2D lattice. Herein, graphene is functionalized through mild and controlled defect engineering for a fivefold increase in adhesion at the graphene-polymer interface. Adhesion is characterized experimentally using buckling-based metrology, while molecular dynamics simulations reveal the role of individual defects in the context of adhesion. Under in situ cyclic loading, the increased adhesion inhibits damage initiation and interfacial fatigue propagation within graphene. This work offers insight into achieving dynamically reliable and robust 2D material-polymer contacts, which can facilitate the development of 2D materials-based flexible devices., (© 2023 The Authors. Small published by Wiley-VCH GmbH.)

We used a novel Peltier anticontamination device (PAC) to reduce carbon contamination upon electron beam irradiation in scanning electron microscopy through a reduction of hydrocarbon molecules in the specimen chamber. Unlike liquid-nitrogen based cold traps, the PAC operates free of user maintenance and is suitable for lengthy imaging sessions without degradation of the anticontamination performance. Its performance as an alternative cold trap method provides considerable reduction of electron beam-assisted carbon build-up. We compared the thickness of carbon contamination deposited upon prolonged electron beam scans with the PAC system on and off. Topographical structures of the carbon build-up were characterized using atomic force microscopy. We report that under identical beam parameters, thickness of the carbon contamination was reduced by over 79 % for area scans (1.2 × 1.2 µm 2 ), and by two orders of magnitude for stationary point scans when the PAC cooling mode is engaged., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2023 Elsevier Ltd. All rights reserved.)

Droplet friction is common and significant in any field where liquids interact with solid surfaces. This study explores the molecular capping of surface-tethered, liquid-like polydimethylsiloxane (PDMS) brushes and its substantial effect on droplet friction and liquid repellency. By exchanging polymer chain terminal silanol groups for methyls using a single-step vapor phase reaction, the contact line relaxation time is decreased by three orders of magnitude-from seconds to milliseconds. This leads to a substantial reduction in the static and kinetic friction of both high- and low-surface tension fluids. Vertical droplet oscillatory imaging confirms the ultra-fast contact line dynamics of capped PDMS brushes, which is corroborated by live contact angle monitoring during fluid flow. This study proposes that truly omniphobic surfaces should not only have very small contact angle hysteresis, but their contact line relaxation time should be significantly shorter than the timescale of their useful application, i.e., a Deborah number less than unity. Capped PDMS brushes that meet these criteria demonstrate complete suppression of the coffee ring effect, excellent anti-fouling behavior, directional droplet transport, increased water harvesting performance, and transparency retention following the evaporation of non-Newtonian fluids., (© 2023 The Authors. Small published by Wiley-VCH GmbH.)

Metal anodes are considered the holy grail for next-generation batteries because of their high gravimetric/volumetric specific capacity and low electrochemical potential. However, several unsolved challenges have impeded their practical applications, such as dendrite growth, interfacial side reactions, dead layer formation, and volume change. An electrochemically, chemically, and mechanically stable artificial solid electrolyte interphase is key to addressing the aforementioned issue with metal anodes. This study demonstrates a new concept of organic and inorganic hybrid interfaces for both Li- and Na-metal anodes. Through tailoring the compositions of the hybrid interfaces, a nanoalloy structure to nano-laminated structure is realized. As a result, the nanoalloy interface (1Al 2 O 3 -1alucone or 2Al 2 O 3 -2alucone) presents the most stable electrochemical performances for both Li-and Na-metal anodes. The optimized thicknesses required for the nanoalloy interfaces for Li- and Na-metal anodes are different. A cohesive zone model is applied to interpret the underlying mechanism. Furthermore, the influence of the mechanical stabilities of the different interfaces on the electrochemical performances is investigated experimentally and theoretically. This approach provides a fundamental understanding and establishes the bridge between mechanical properties and electrochemical performance for alkali-metal anodes., (© 2023 Wiley-VCH GmbH.)

Piezoelectric materials convert between mechanical and electrical energy and are a basis for self-powered electronics. Current piezoelectrics exhibit either large charge (d 33 ) or voltage (g 33 ) coefficients but not both simultaneously, and yet the maximum energy density for energy harvesting is determined by the transduction coefficient: d 33 *g 33 . In prior piezoelectrics, an increase in polarization usually accompanies a dramatic rise in the dielectric constant, resulting in trade off between d 33 and g 33 . This recognition led us to a design concept: increase polarization through Jahn-Teller lattice distortion and reduce the dielectric constant using a highly confined 0D molecular architecture. With this in mind, we sought to insert a quasi-spherical cation into a Jahn-Teller distorted lattice, increasing the mechanical response for a large piezoelectric coefficient. We implemented this concept by developing EDABCO-CuCl 4 (EDABCO = N-ethyl-1,4-diazoniabicyclo[2.2.2]octonium), a molecular piezoelectric with a d 33 of 165 pm/V and g 33 of ~2110 × 10 -3  V m N -1 , one that achieved thusly a combined transduction coefficient of 348 × 10 -12  m 3  J -1 . This enables piezoelectric energy harvesting in EDABCO-CuCl 4 @PVDF (polyvinylidene fluoride) composite film with a peak power density of 43 µW/cm 2 (at 50 kPa), the highest value reported for mechanical energy harvesters based on heavy-metal-free molecular piezoelectric., (© 2023. The Author(s).)

The open-circuit voltage (V OC ) deficit in perovskite solar cells is greater in wide-bandgap (over 1.7 eV) cells than in perovskites of roughly 1.5 eV (refs.  1,2 ). Quasi-Fermi-level-splitting measurements show V OC -limiting recombination at the electron-transport-layer contact 3-5 . This, we find, stems from inhomogeneous surface potential and poor perovskite-electron transport layer energetic alignment. Common monoammonium surface treatments fail to address this; as an alternative, we introduce diammonium molecules to modify perovskite surface states and achieve a more uniform spatial distribution of surface potential. Using 1,3-propane diammonium, quasi-Fermi-level splitting increases by 90 meV, enabling 1.79 eV perovskite solar cells with a certified 1.33 V V OC and over 19% power conversion efficiency (PCE). Incorporating this layer into a monolithic all-perovskite tandem, we report a record V OC of 2.19 V (89% of the detailed balance V OC limit) and over 27% PCE (26.3% certified quasi-steady state). These tandems retained more than 86% of their initial PCE after 500 h of operation., (© 2022. The Author(s), under exclusive licence to Springer Nature Limited.)

InP-based quantum dot (QD) light-emitting diodes (QLEDs) provide a heavy-metal-free route to size-tuned LEDs having high efficiency. The stability of QLEDs may be enhanced by replacing organic hole-injection layers (HILs) with inorganic layers. However, inorganic HILs reported to date suffer from inefficient hole injection, the result of their shallow work functions. Here, we investigate the tuning of the work function of nickel oxide (NiO x ) HILs using self-assembled molecules (SAMs). Density functional theory simulations and near-edge X-ray absorption fine structure put a particular focus onto the molecular orientation of the SAMs in tuning the work function of the NiO x HIL. We find that orientation plays an even stronger role than does the underlying molecular dipole itself: SAMs having the strongest electron-withdrawing nitro group (NO 2 ), despite having a high intrinsic dipole, show limited work function tuning, something we assign to their orientation parallel to the NiO x surface. We further find that the NO 2 group─which delocalizes electrons over the molecule by resonance─induces a deep lowest unoccupied molecular orbital level that accepts electrons from QDs, producing luminescence quenching. In contrast, SAMs containing a trifluoromethyl group exhibit an angled orientation relative to the NiO x surface, better activating hole injection into the active layer without inducing luminescence quenching. We report an external quantum efficiency (EQE) of 18.8%─the highest EQE among inorganic HIL-based QLEDs (including Cd-based QDs)─in InP QLEDs employing inorganic HILs.

Heart beating is triggered by the generation and propagation of action potentials through the myocardium, resulting in the synchronous contraction of cardiomyocytes. This process highlights the importance of electrical and mechanical coordination in organ function. Investigating the pathogenesis of heart diseases and potential therapeutic actions in vitro requires biosensing technologies which allow for long-term and simultaneous measurement of the contractility and electrophysiology of cardiomyocytes. However, the adoption of current biosensing approaches for functional measurement of in vitro cardiac models is hampered by low sensitivity, difficulties in achieving multifunctional detection, and costly manufacturing processes. Leveraging carbon-based nanomaterials, we developed a biosensing platform that is capable of performing on-chip and simultaneous measurement of contractility and electrophysiology of human induced pluripotent stem-cell-derived cardiomyocyte (iPSC-CM) monolayers. This platform integrates with a flexible thin-film cantilever embedded with a carbon black (CB)-PDMS strain sensor for high-sensitivity contraction measurement and four pure carbon nanotube (CNT) electrodes for the detection of extracellular field potentials with low electrode impedance. Cardiac functional properties including contractile stress, beating rate, beating rhythm, and extracellular field potential were evaluated to quantify iPSC-CM responses to common cardiotropic agents. In addition, an in vitro model of drug-induced cardiac arrhythmia was established to further validate the platform for disease modeling and drug testing.

In the present study, a relatively novel non-destructive testing (NDT) method called the coplanar capacitive sensing technique was applied in order to detect different sizes of rebars in a reinforced concrete (RC) structure. This technique effectively detects changes in the dielectric properties during scanning in various sections of concrete with and without rebars. Numerical simulations were carried out by three-dimensional (3D) finite element modelling (FEM) in COMSOL Multiphysics software to analyse the impact of the presence of rebars on the electric field generated by the coplanar capacitive probe. In addition, the effect of the presence of a surface defect on the rebar embedded in the concrete slab was demonstrated by the same software for the first time. Experiments were performed on a concrete slab containing rebars, and were compared with FEM results. The results showed that there is a good qualitative agreement between the numerical simulations and experimental results.

2D materials are well-known for their low-friction behavior by modifying the interfacial forces at atomic surfaces. Of the wide range of 2D materials, MXenes represent an emerging material class but their lubricating behavior has been scarcely investigated. Herein, the friction mechanisms of 2D Ti 3 C 2 T x MXenes are demonstrated which are attributed to their surface terminations. We find that Ti 3 C 2 T x MXenes do not exhibit the well-known frictional layer dependence of other 2D materials. Instead, the nanoscale lubricity of 2D MXenes is governed by the termination species resulting from synthesis. Annealing the MXenes demonstrate a 7% reduction in OH termination which translates to a 16-57% reduction of friction in agreement with DFT calculations. Finally, the stability of MXene flakes is demonstrated upon isolation from their aqueous environment. This work indicates that MXenes can provide sustainable lubricity at any thickness which makes them uniquely positioned among 2D material lubricants.

Many of the best-performing perovskite photovoltaic devices make use of 2D/3D interfaces, which improve efficiency and stability - but it remains unclear how the conversion of 3D-to-2D perovskite occurs and how these interfaces are assembled. Here, we use in situ Grazing-Incidence Wide-Angle X-Ray Scattering to resolve 2D/3D interface formation during spin-coating. We observe progressive dimensional reduction from 3D to n = 3 → 2 → 1 when we expose (MAPbBr 3 ) 0.05 (FAPbI 3 ) 0.95 perovskites to vinylbenzylammonium ligand cations. Density functional theory simulations suggest ligands incorporate sequentially into the 3D lattice, driven by phenyl ring stacking, progressively bisecting the 3D perovskite into lower-dimensional fragments to form stable interfaces. Slowing the 2D/3D transformation with higher concentrations of antisolvent yields thinner 2D layers formed conformally onto 3D grains, improving carrier extraction and device efficiency (20% 3D-only, 22% 2D/3D). Controlling this progressive dimensional reduction has potential to further improve the performance of 2D/3D perovskite photovoltaics.

Al 2 O 3 -graphene nanolayers are widely used within integrated micro/nanoelectronic systems; however, their lifetimes are largely limited by fracture both statically and dynamically. Here, we present a static and fatigue study of thin (1-11 nm) free-standing Al 2 O 3 -graphene nanolayers. A remarkable fatigue life of greater than one billion cycles was obtained for films <2.2 nm thick under large mean stress levels, which was up to 3 orders of magnitude longer than that of its thicker (11 nm) counterpart. A similar thickness dependency was also identified for the elastic and static fracture behavior, where the enhancement effect of graphene is prominent only within a thickness of ∼3.3 nm. Moreover, plastic deformation, manifested by viscous creep, was observed and appeared to be more substantial for thicker films. This study provides mechanistic insights on both the static and dynamic reliability of Al 2 O 3 -graphene nanolayers and can potentially guide the design of graphene-based devices.

Materials can suffer mechanical fatigue when subjected to cyclic loading at stress levels much lower than the ultimate tensile strength, and understanding this behaviour is critical to evaluating long-term dynamic reliability. The fatigue life and damage mechanisms of two-dimensional (2D) materials, of interest for mechanical and electronic applications, are currently unknown. Here, we present a fatigue study of freestanding 2D materials, specifically graphene and graphene oxide (GO). Using atomic force microscopy, monolayer and few-layer graphene were found to exhibit a fatigue life of more than 10 9 cycles at a mean stress of 71 GPa and a stress range of 5.6 GPa, higher than any material reported so far. Fatigue failure in monolayer graphene is global and catastrophic without progressive damage, while molecular dynamics simulations reveal this is preceded by stress-mediated bond reconfigurations near defective sites. Conversely, functional groups in GO impart a local and progressive fatigue damage mechanism. This study not only provides fundamental insights into the fatigue enhancement behaviour of graphene-embedded nanocomposites, but also serves as a starting point for the dynamic reliability evaluation of other 2D materials.

The transformation from semiconducting to metallic phase, accompanied by a structural transition in 2D transition metal dichalcogenides has attracted the attention of the researchers worldwide. The unconventional structural transformation of fluorinated WS 2 (FWS 2 ) into the 1T phase is described. The energy difference between the two phases debugs this transition, as fluorination enhances the stability of 1T FWS 2 and makes it energetically favorable at higher F concentration. Investigation of the electronic and optical nature of FWS 2 is supplemented by possible band structures and bandgap calculations. Magnetic centers in the 1T phase appear in FWS 2 possibly due to the introduction of defect sites. A direct consequence of the phase transition and associated increase in interlayer spacing is a change in friction behavior. Friction force microscopy is used to determine this effect of functionalization accompanied phase transformation., (© 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.)

Graphene has been integrated in many heterogeneous structures in order to take advantage of its superior mechanical properties. However, the complex mechanical response of heterogeneous films incorporating graphene is not well understood. Here, we studied the mechanical behavior of atomic layer deposition (ALD) synthesized TiO 2 /graphene, as a representative building block of a typical composite, to understand the mechanical behavior of heterostructures using an experiment-computational approach. The inclusion of graphene was found to significantly enhance the Young's modulus of TiO 2 /graphene hetero-films for films below a critical thickness of 3 nm, beyond which the Young's modulus approaches that of pure TiO 2 film. A rule-of-mixtures was found to reasonably estimate the modulus of the TiO 2 /graphene hetero-film. Experimentally, these hetero-films were observed to fail via brittle fracture. Complimentary density functional theory and finite element modeling demonstrates strong adhesion at the graphene TiO 2 interface and that graphene serves as a reinforcement, providing the hetero-film with an ability to sustain significantly high stresses at the point of failure initiation. The results and methodology described herein can contribute to the rational design of strong and reliable ultrathin hetero-films for versatile applications.

This paper reports in situ transmission electron microscopy (TEM) tensile testing of carbon-linked graphene oxide nanosheets using a monolithic TEM compatible microelectromechanical system device. The set-up allows direct on-chip nanosheet thickness mapping, high resolution electron beam linking of a pre-fractured nanosheet, and mechanical tensile testing of the nanosheet. This technique enables simultaneous mechanical and high energy electron beam characterization of 2D nanomaterials.

Numerous experimental and computational studies have established that the hierarchical structures encountered in natural materials, such as the brick-and-mortar structure observed in sea shells, are essential for achieving defect tolerance. Due to this hierarchy, the mechanical properties of natural materials have a different size dependence compared to that of typical engineered materials. This study aimed to explore size effects on the strength of bio-inspired staggered hierarchical composites and to define the influence of the geometry of constituents in their outstanding defect tolerance capability. A statistical shear lag model is derived by extending the classical shear lag model to account for the statistics of the constituents' strength. A general solution emerges from rigorous mathematical derivations, unifying the various empirical formulations for the fundamental link length used in previous statistical models. The model shows that the staggered arrangement of constituents grants composites a unique size effect on mechanical strength in contrast to homogenous continuous materials. The model is applied to hierarchical yarns consisting of double-walled carbon nanotube bundles to assess its predictive capabilities for novel synthetic materials. Interestingly, the model predicts that yarn gauge length does not significantly influence the yarn strength, in close agreement with experimental observations., (Copyright © 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.)

The superior mechanical behavior of carbon nanotubes (CNT) and their electrical and thermal functionalities has motivated researchers to exploit them as building blocks to develop advanced materials. Here, we demonstrate high performance double-walled nanotube (DWNT)-polymer composite yarns formed by twisting and stretching of ribbons of randomly oriented bundles of DWNTs thinly coated with polymeric organic compounds. A multiscale in situ scanning electron microscopy experimental approach was implemented to investigate the mechanical performance of yarns and isolated DWNT bundles with and without polymer coatings. DWNT-polymer yarns exhibited significant ductility of ∼20%, with energy-to-failure of as high as ∼100 J g(-1), superior to previously reported CNT-based yarns. The enhanced ductility is not at the expense of strength, as yarns exhibited strength as high as ∼1.4 GPa. In addition, the significance of twisting on the densification of yarns and corresponding enhancement in the lateral interactions between bundles is identified. Experiments at nanometer and macroscopic length scales on DWNT-polymer yarns and bundles further enabled quantification of energy dissipation/storage mechanisms in the yarns during axial deformations. We demonstrate that while isolated DWNT bundles are capable of storing/dissipating up to ∼500 J g(-1) at failure, unoptimal load transfer between individual bundles prevents the stress build up in the yarns required for considerable energy storage at the bundle level. By contrast, through polymer lateral interactions, a much better performance is obtained with the majority of energy dissipated at failure being contributed by the interactions between the polymer coating and the DWNTs as compared to the direct van der Waals interactions between bundles.