What Puts the "Tribo" in Triboelectricity?

An enduring question in science has been why sliding plays a major role in the triboelectric generation of static electricity-the "tribo" in triboelectricity. We provide here a general explanation which is rooted in established science. When sliding is taking place, there is symmetry breaking due to elastic shear, so the front of the sliding body experiences different elastic strains from the back.

A finite element model for investigating the influence of keel design and position on unicompartmental knee replacement cementless tibial component fixation.

Objectives: The cementless Oxford Unicompartmental Knee Replacement (OUKR) tibial component relies on an interference fit to achieve initial fixation. The behaviour at the implant-bone interface is not fully understood and hence modelling of implants using Finite Element (FE) software is challenging. With a goal of exploring alternative implant designs with lower fracture risk and adequate fixation, this study aims to investigate whether optimisation of FE model parameters could accurately reproduce experimental results of a pull-out test which assesses fixation.

Wet to Dry Controls Lanthanide Scandate Synthesis.

The choice of temperature and gas conditions used in a water pressure-controlled reactor is guided by density functional theory (DFT) to synthesize nearly phase-pure lanthanide scandate nanoparticles (LnScO, Ln = La, Nd, Sm, Gd). In this synthetic method, low water-vapor partial pressures, well below water's gas liquidus, inhibit particle growth, while an excess of water vapor results in undesired rare-earth hydroxide and oxyhydroxide secondary phases. The optimal humidity for high-purity LnScO particle synthesis is shown to vary with the lanthanide; DFT is used to calculate the thermodynamics of secondary phase formation for each lanthanide tested such that the role of water vapor may be quantified and used to maintain phase purity (greater than 96 mol %) across the series.

When Flexoelectricity Drives Triboelectricity.

Triboelectricity has been known since antiquity, but the fundamental science underlying this phenomenon lacks consensus. We present a flexoelectric model for triboelectricity where contact deformation induced band bending at the nanoscale is the driving force for charge transfer. This framework is combined with first-principles and finite element calculations to explore charge transfer implications for different contact geometry and materials combinations.

Band Bending and Ratcheting Explain Triboelectricity in a Flexoelectric Contact Diode.

Triboelectricity was recognized millennia ago, but the fundamental mechanism of charge transfer is still not understood. We have recently proposed a model where flexoelectric band bending due to local asperity contacts drives triboelectric charge transfer in non-metals. While this ab initio model is consistent with a wide range of observed phenomena, to date there have been no quantitative analyses of the proposed band bending.

CO Adsorption and Disproportionation on Smooth and Defect-Rich Ir(111).

CO adsorption and dissociation on "perfect" and "defect-rich" Ir(111) surfaces were studied by a combination of surface-analytical techniques, including polarization-dependent (PPP and SSP) sum frequency generation (SFG) vibrational spectroscopy, low-energy electron diffraction (LEED), Auger electron spectroscopy, X-ray photoelectron spectroscopy (XPS), and density functional theory (DFT) calculations. CO was found to be ordered and tilted from the surface normal at high coverage on the "perfect" surface (e.g.

WIEN2k: An APW+lo program for calculating the properties of solids.

The WIEN2k program is based on the augmented plane wave plus local orbitals (APW+lo) method to solve the Kohn-Sham equations of density functional theory. The APW+lo method, which considers all electrons (core and valence) self-consistently in a full-potential treatment, is implemented very efficiently in WIEN2k, since various types of parallelization are available and many optimized numerical libraries can be used. Many properties can be calculated, ranging from the basic ones, such as the electronic band structure or the optimized atomic structure, to more specialized ones such as the nuclear magnetic resonance shielding tensor or the electric polarization.

Direct Visualization of Independent Ta Centers Supported on Two-Dimensional TiO Nanosheets.

Highly dispersed, supported oxides are ubiquitous solid catalysts but can be challenging to characterize with atomic precision. Here, it is shown that crystalline anatase TiO nanosheets (∼5 nm thick) are ideal supports for imaging highly dispersed active sites. Ta cations were deposited by several routes, and high-resolution high angle annular dark-field scanning transmission electron microscopy was used to determine the location of Ta with respect to the TiO lattice and quantify Ta-Ta distances.

How heteroepitaxy occurs on strontium titanate.

In traditional models of heteroepitaxy, the substrate serves mainly as a crystalline template for the thin-film lattice, dictating the initial roughness of the film and the degree of coherent strain. Here, performing in situ surface x-ray diffraction during the heteroepitaxial growth of LaTiO on SrTiO (001), we find that a TiO adlayer composed of the 33.7° and 45.

Early-stage NiCrMo oxidation revealed by cryo-transmission electron microscopy.

Hydroxide formation at the surface of corroded alloys is critical for understanding early-stage oxidation of many corrosion-resistant alloys. Many hydroxides are unstable in an ambient environment and are electron-beam sensitive, limiting the use of conventionally-prepared specimens for transmission electron microscopy characterization of these alloy-water interfaces. In order to avoid sample dehydration, NiCrMo alloys corroded in a Cl-containing electrolyte solution were cryo-immobilized by plunge freezing.

Charging ain't all bad: Complex physics in DyScO.

Although charging is ubiquitous in electron microscopy, its effects are typically avoided or ignored. However, avoiding charging is not possible in some materials, e.g.

Nonequilibrium Solute Capture in Passivating Oxide Films.

We report experimental results on the composition and crystallography of oxides formed on NiCrMo alloys during both high-temperature oxidation and aqueous corrosion experiments. Detailed characterization using transmission electron microscopy and diffraction, aberration-corrected chemical analysis, and atom probe tomography shows unexpected combinations of composition and crystallography, far outside thermodynamic solubility limits. The results are explained using a theory for nonequilibrium solute capture that combines thermodynamic, kinetic, and density functional theory analyses.

Kinetic Growth Regimes of Hydrothermally Synthesized Potassium Tantalate Nanoparticles.

A general mathematical kinetic growth model is proposed on the basis of observed growth regimes of hydrothermally synthesized KTaO nanoparticles from electron microscopy studies on the surface morphology and surface chemistry. Secondary electron imaging demonstrated that there are two dominant growth mechanisms: terrace nucleation, where the surfaces are rough, and terrace growth, where surfaces are smooth. In the proposed model based upon standard step-flow growth, the rates of both mechanisms are established to be dependent on the chemical potential change of the growth environment-terrace nucleation dominates with larger negative chemical potential, and terrace growth dominates with smaller negative chemical potential.

Direct Observation of Large Flexoelectric Bending at the Nanoscale in Lanthanide Scandates.

There is a growing interest in the flexoelectric effect, since at the nanoscale it is predicted to be very large. However, there have been no direct observations of flexoelectric bending consistent with current theoretical work that implies strains comparable to or exceeding the yield strains of typical materials. Here we show a direct observation of extraordinarily large, two-dimensional reversible bending at the nanoscale in dysprosium scandate due to the converse flexoelectric effect, with similar results for terbium and gadolinium scandate.

Development of a hybrid molecular beam epitaxy deposition system for in situ surface x-ray studies.

A portable metalorganic gas delivery system designed and constructed to interface with an existing molecular beam epitaxy chamber at beamline 33-ID-E of the Advanced Photon Source is described. This system offers the ability to perform in situ X-ray measurements of complex oxide growth via hybrid molecular beam epitaxy. The performance of the hybrid molecular beam epitaxy system while delivering metalorganic source materials is described.

Synthesis of Gadolinium Scandate from a Hydroxide Hydrogel.

Gadolinium scandate (GdScO) has been synthesized at 300 °C through the decomposition of a mixed cation hydroxide hydrogel in a humid environment. Increasing the reaction temperature produced larger particles that better adopted the Wulff shape. A lack of water vapor during the synthesis caused the solid network of the hydrogel to collapse upon heating so an amorphous xerogel was produced.

Layer-by-Layer Epitaxial Growth of Defect-Engineered Strontium Cobaltites.

Control over structure and composition of (ABO) perovskite oxides offers exciting opportunities since these materials possess unique, tunable properties. Perovskite oxides with cobalt B-site cations are particularly promising, as the range of the cation's stable oxidation states leads to many possible structural frameworks. Here, we report growth of strontium cobalt oxide thin films by molecular beam epitaxy, and conditions necessary to stabilize different defect concentration phases.

Nucleation and growth process of atomic layer deposition platinum nanoparticles on strontium titanate nanocuboids.

Uniform, well-dispersed platinum nanoparticles were grown on SrTiO nanocuboids via atomic layer deposition (ALD) using (methylcyclopentadienyl)trimethylplatinum (MeCpPt(Me)) and water. For the first half-cycle of the deposition particles formed through two sequential processes: initial nucleation and growth. The final particle size after a single complete ALD cycle was dependent on the reaction temperature which alters the net Pt deposition per cycle.

Direct observation of incommensurate structure in MoSi.

Z-contrast imaging, electron diffraction, atom-probe tomography (APT) and density functional theory calculations were used to study the crystal structure of the MoSi phase which was previously reported to have an A15 crystal structure. The results showed that MoSi has an incommensurate crystal structure with a non-cubic unit cell. The small off-stoichiometry in composition of the sample which was revealed by APT and atomic resolution Z-contrast imaging suggested that site substitution caused the development of split atomic positions, disorder and vacancies.

When does atomic resolution plan view imaging of surfaces work?

Surface structures that are different from the corresponding bulk, reconstructions, are exceedingly difficult to characterize with most experimental methods. Scanning tunneling microscopy, the workhorse for imaging complex surface structures of metals and semiconductors, is not as effective for oxides and other insulating materials. This paper details the use of transmission electron microscopy plan view imaging in conjunction with image processing for solving complex surface structures.

Complex surface structure of (110) terminated strontium titanate nanododecahedra.

The surface structure of (110) faceted strontium titanate nanoparticles synthesized via solvothermal method has been resolved using high-resolution electron microscopy (HREM). We demonstrate that the surface is a titania-rich structure containing tetrahedrally coordinated TiO units similar to the family of (n × 1) reconstructions observed on (110) surfaces of bulk crystalline strontium titanate. When compared with prior results for (001) terminated strontium titanate single crystals made with traditional transmission electron microscopy (TEM) sample preparation techniques, the results demonstrate that many models for oxide nanoparticles need to be revisited.

Strain-Induced Segregation in Bimetallic Multiply Twinned Particles.

We analyze the possibility of strain-induced segregation in bimetallic multiply twinned particles by an analytic first-order expansion within a continuum model. The results indicate that while the change in free energy may be small, there will be a noticeable segregation of larger atoms to the external surface and smaller ones to the core, which could have interesting effects when such nanoparticles are used as heterogeneous catalysts.