Electron Energy Loss Spectroscopy Results Research Articles

Surface Fatigue Behavior of a WC/aC:H Thin-Film and the Tribochemical Impact of Zinc Dialkyldithiophosphate.

In wind turbine gearboxes, (near-)surface initiated fatigue is attributed to be the primary failure mechanism. In this work, the surface fatigue of a hydrogenated tungsten carbide/amorphous carbon (WC/aC:H) thin-film was tested under severe cyclic tribo-contact using polyalphaolefin (PAO) and PAO + zinc dialkyldithiophosphate (ZDDP) lubricants. The film was characterized in terms of its structure and chemistry using X-ray diffraction, analytical transmission electron microscopy, including electron energy loss spectroscopy (EELS), as well as X-ray photoelectron spectroscopy (XPS). The multilayer carbon thin-film exhibited promising surface fatigue performance showing a slight change in the hybridization state of the aC:H matrix. Dehydrogenation of the thin-film and subsequent transformation of cleaved C-H bonds to nonplanar sp2 carbon rings were inferred from EELS and XPS results. While tribo-induced changes to the aC:H matrix were not influenced by a nanometer-thick ZDDP reaction-film, the rate of oxidation of WC and its oxidation state were affected. While accelerating surface fatigue on a steel surface, the ZDDP-tribofilm protected the WC/aC:H film from surface fatigue. In contrast to the formation of polyphosphates from ZDDP molecules on steel surfaces, it appeared that on the WC/aC:H thin film surface, ZDDP molecules decompose to ZnO, suppressing the oxidative degradation of WC.

Ni-Sn-Supported ZrO2 Catalysts Modified by Indium for Selective CO2 Hydrogenation to Methanol.

Ni and NiSn supported on zirconia (ZrO2) and on indium (In)-incorporated zirconia (InZrO2) catalysts were prepared by a wet chemical reduction route and tested for hydrogenation of CO2 to methanol in a fixed-bed isothermal flow reactor at 250 °C. The mono-metallic Ni (5%Ni/ZrO2) catalysts showed a very high selectivity for methane (99%) during CO2 hydrogenation. Introduction of Sn to this material with the following formulation 5Ni5Sn/ZrO2 (5% Ni-5% Sn/ZrO2) showed the rate of methanol formation to be 0.0417 μmol/(gcat·s) with 54% selectivity. Furthermore, the combination NiSn supported on InZrO2 (5Ni5Sn/10InZrO2) exhibited a rate of methanol formation 10 times higher than that on 5Ni/ZrO2 (0.1043 μmol/(gcat·s)) with 99% selectivity for methanol. All of these catalysts were characterized by X-ray diffraction, high-resolution transmission electron microscopy (HRTEM), scanning transmission electron microscopy (STEM), X-ray photoelectron spectroscopy, CO2-temperature-programmed desorption, and density functional theory (DFT) studies. Addition of Sn to Ni catalysts resulted in the formation of a NiSn alloy. The NiSn alloy particle size was kept in the range of 10–15 nm, which was evidenced by HRTEM study. DFT analysis was carried out to identify the surface composition as well as the structural location of each element on the surface in three compositions investigated, namely, Ni28Sn27, Ni18Sn37, and Ni37Sn18 bimetallic nanoclusters, and results were in agreement with the STEM and electron energy-loss spectroscopy results. Also, the introduction of “Sn” and “In” helped improve the reducibility of Ni oxide and the basic strength of catalysts. Considerable details of the catalytic and structural properties of the Ni, NiSn, and NiSnIn catalyst systems were elucidated. These observations were decisive for achieving a highly efficient formation rate of methanol via CO2 by the H2 reduction process with high methanol selectivity.

Stability of Excess Oxygen Atoms near Oxide Precipitate and Oxygen Solubility in Silicon Crystal

The interfacial structure of oxide precipitate and the surrounding Si crystal, OP/Si, has been investigated by focusing on the stability of excess O atoms near the interface in connection with the solubility of O in Si. Excess O atoms become more stable near the interface than those in the interstitial sites in the Si matrix far from the interface. The thickness of the transition layers was at most that of the three Si atomic layer in models through ab initio calculations. Transition layers with a thickness of several nm have been previously detected by electron energy loss spectroscopy (EELS) and modeled for analysis by using the Hakoniwa method. In a lower temperature range, the increase in the ratio of captured interstitial O atoms in a transition layer was expected by lowering the temperature, and the possible range of O solubility in Si in this range was derived. In a higher temperature range, the interface model without transition layers showed that the solubility turns out to be the well-known Arrhenius-type and reproduces the experimental results. And finally, we propose a semi-macroscopic model for the OP/Si interface to explain the previously reported EELS results.

Thermal stability of ultrathin amorphous carbon films synthesized by plasma-enhanced chemical vapor deposition and filtered cathodic vacuum arc

Ultrathin hydrogenated amorphous carbon (a-C:H) films deposited by plasma-enhanced chemical vapor deposition (PECVD) and hydrogen-free amorphous carbon (a-C) films of similar thickness deposited by filtered cathodic vacuum arc (FCVA) were subjected to rapid thermal annealing (RTA). Cross-sectional transmission electron microscopy (TEM) and electron energy loss spectroscopy (EELS) were used to study the structural stability of the films. While RTA increased the thickness of the intermixing layer and decreased the sp3 content of the a-C:H films, it did not affect the thickness or the sp3 content of the a-C films. The superior structural stability of the FCVA a-C films compared with PECVD a-C:H films, demonstrated by the TEM and EELS results of this study, illustrates the high potential of these films as protective overcoats in applications where rapid heating is critical to the device functionality and performance, such as heat-assisted magnetic recording.

Redesigning Multilayer Ceramic Capacitors by Preservation of Electrode Conductivity and Localized Doping.

Both Li2CO3-coated nickel particles and fast firing technique were utilized in the manufacturing of MLCCs. They preserved the conductivity of Ni electrodes and provided the possibility of sintering the devices in oxidizing atmospheres. By using our method, the partial pressure of oxygen increased from 10-10 atm in conventional methods to 10-4 atm. The oxidizing atmosphere reduced the oxygen vacancy concentration as illustrated by the color change of the samples, and the results of EELS (electron energy loss spectroscopy). A systematic test with variable parameters, Li2CO3 coating, the sintering schedule, and the oxygen flow during sintering were executed, and the dissipation factor and the capacitance of the MLCCs were documented. Three type of MLCCs were studied: Conventional (fired with the conventional technique), Uncoated (fast fired with uncoated Ni particles), and Coated (fast fired with the coated Ni particles). The maximum oxygen activity during sintering (i.e., pO2 = 1.2 × 10-4 atm) was obtained for coated samples, and due to the minimum VO•• concentration, their dissipation factor decreased up to 60% relative to the Conventional ones. In addition, the impedance spectroscopy, together with the map of Li ion distribution, suggested that Li ions accumulated around the electrode-dielectric interface and amplified the activation energy at these interfaces. This eventually caused the coated MLCCs to show higher capacitance than their uncoated counterparts. As a conclusion, it is shown that the manufacturing process described in this paper can provide a better MLCC with higher capacitance, and lower dissipation factor and leakage current.

Transmission electron microscopy of carbon-coated and iron-doped titania nanoparticles

We present a study on the properties of iron (Fe)-doped and carbon (C)-coated titania (TiO2) nanoparticles (NPs) which has been compiled by using x-ray diffraction (XRD), transmission electron microscopy (TEM), and x-ray photoelectron spectroscopy (XPS). These TiO2 NPs were prepared by using the flame synthesis method. This method allows the simultaneous C coating and Fe doping of TiO2 NPs. XRD investigations revealed that the phase of the prepared NPs was anatase TiO2. Conventional TEM analysis showed that the average size of the TiO2 NPs was about 65 nm and that the NPs were uniformly coated with the element C. Furthermore, from the x-ray energy dispersive spectrometry analysis, it was found that about 8 at.% Fe was present in the synthesized samples. High-resolution TEM (HRTEM) revealed the graphitized carbon structure of the layer surrounding the prepared TiO2 NPs. HRTEM analysis further revealed that the NPs possessed the crystalline structure of anatase titania. Energy-filtered TEM (EFTEM) analysis showed the C coating and Fe doping of the NPs. The ratio of L3 and L2 peaks for the Ti-L23 and Fe-L23 edges present in the core loss electron energy loss spectroscopy (EELS) revealed a +4 oxidation state for the Ti and a +3 oxidation state for the Fe. These EELS results were further confirmed with XPS analysis. The electronic properties of the samples were investigated by applying Kramers–Kronig analysis to the low-loss EELS spectra acquired from the prepared NPs. The presented results showed that the band gap energy of the TiO2 NPs decreased from an original value of 3.2 eV to about 2.2 eV, which is quite close to the ideal band gap energy of 1.65 eV for photocatalysis semiconductors. The observed decrease in band gap energy of the TiO2 NPs was attributed to the presence of Fe atoms at the lattice sites of the anatase TiO2 lattice. In short, C-coated and Fe-doped TiO2 NPs were synthesized with a rather cost-effective and comparatively easily scalable method. The presented analysis enables us to predict the excellent efficiency of these NPs for solar-cell and photo-catalysis applications.

The effect of Argon ion irradiation on the thickness and structure of ultrathin amorphous carbon films

Carbon films synthesized by plasma-enhanced chemical vapor deposition (PECVD) and filtered cathodic vacuum arc (FCVA) exhibit a layered structure consisting of a bottom (interface) and a top (surface) layer rich in sp2 atomic carbon bonding and a middle (bulk) layer of much higher sp3 content. Because of significant differences in the composition, structure, and thickness of these layers, decreasing the film thickness may negatively affect its properties. In this study, transmission electron microscopy (TEM) and electron energy loss spectroscopy (EELS) were used to examine the effect of Ar+ ion irradiation on the structure and thickness of ultrathin films of hydrogenated amorphous carbon (a-C:H) and hydrogen-free amorphous carbon (a-C) deposited by PECVD and FCVA, respectively. The TEM and EELS results show that 2-min ion irradiation decreases the film thickness without markedly changing the film structure and composition, whereas 4-min ion irradiation results in significant film thinning and a moderate decrease of the sp3 content of the bulk layer. This study demonstrates that Ar+ ion irradiation is an effective post-deposition process for reducing the thickness and tuning the structure of ultrathin carbon films. This capability has direct implications in the synthesis of ultrathin protective carbon overcoats for extremely high-density magnetic recording applications.

Carbon–metal interfaces analyzed by aberration-corrected TEM: How copper and nickel nanoparticles interact with MWCNTs

Experimental confirmation for the stronger interaction of Ni with multi-walled carbon nanotubes (MWCNTs) compared to Cu with MWCNTs is presented. The interfaces between Cu (Ni) nanoparticles side-on oriented onto MWCNTs are analyzed with high spatial resolution electron energy-loss spectroscopy (EELS) of the carbon K-edge. The EEL spectra reveal a rehybridization from sp2 to sp3 hybridized carbon of the outermost MWCNT layer at the Ni interface, but no such rehybridization can be observed at the Cu interface. The EELS results are supported by transmission electron microscopy (TEM) images, which show a better wetting behavior of Ni and a smaller gap at the Ni–MWCNT interface, as compared to the corresponding Cu interfaces. The different behavior of Cu and Ni can be explained in terms of differing valence d-orbital occupancy. For the successful experimental demonstration of this effect the use of a soft chemical metal deposition technique is crucial.

Electron energy-loss spectroscopy of boron-doped layers in amorphous thin film silicon solar cells

Electron energy-loss spectroscopy (EELS) is used to study p-doped layers in n-i-p amorphous thin film Si solar cells grown on steel foil substrates. For a solar cell in which an intrinsic amorphous hydrogenated Si (a-Si-H) layer is sandwiched between 10-nm-thick n-doped and p-doped a-Si:H layers, we assess whether core-loss EELS can be used to quantify the B concentration. We compare the shape of the measured B K edge with real space ab initio multiple scattering calculations and show that it is possible to separate the weak B K edge peak from the much stronger Si L edge fine structure by using log-normal fitting functions. The measured B concentration is compared with values obtained from secondary ion mass spectrometry, as well as with EELS results obtained from test samples that contain ∼200-nm-thick a-Si:H layers co-doped with B and C. We also assess whether changes in volume plasmon energy can be related to the B concentration and/or to the density of the material and whether variations of the volume plasmon line-width can be correlated with differences in the scattering of valence electrons in differently doped a-Si:H layers.

Quantum confinement of volume plasmons and interband transitions in germanium nanocrystals

The plasmonic properties of individual quantum-sized Ge nanocrystals (NCs) were observed and systematically analyzed by aberration-corrected scanning transmission electron microscopy (STEM) and electron energy loss spectroscopy (EELS). For this purpose, Ge NCs embedded in an SiO${}_{2}$ matrix with controllable size, density, and structure were fabricated using magnetron sputtering. The size dependence of the Ge plasmon energies in the size range of 5--9 nm is shown to be well depicted by the so-called medium quantum confinement (QC) model, with an effective mass of 0.57${m}_{0}$ (contrary to expectations of a stronger quantum effect). In the very low-loss region of the EEL spectra, an apparent blue shift of the ${E}_{2}$ interband transition peak up to 2 eV and a strong reduction in the oscillator strength were measured for the NCs in the size range of 4--6 nm. It indicates for this smaller size range a transition to a QC regime where the band structure and the density of states are modified dramatically. These trends are explained by a combination of low-loss and core-loss EELS results, which show that the Ge NCs are surrounded uniformly by nearly stoichiometric SiO${}_{2}$. This local chemistry is shown to provide an infinite potential barrier and to confine electrons and holes in the spherically shaped Ge NCs. In addition to pure QC effects in the Ge NCs, the SiO${}_{2}$ matrix thus plays an important role in the strength of the observed QC and interband transitions.

An experimental study of the Fe oxidation states in garnet and clinopyroxene as a function of temperature in the system CaO–FeO–Fe2O3–MgO–Al2O3–SiO2: implications for garnet–clinopyroxene geothermometry

Samples with eclogitic composition in the system CaO–FeO–Fe2O3–MgO–Al2O3–SiO2 were produced from various kinds of starting materials held in graphite-lined Pt capsules at a pressure of 2.5–3.0 GPa and temperatures of 800–1,300 °C using a piston-cylinder or Belt apparatus. Garnets and clinopyroxenes were characterized by analytical transmission electron microscopy and electron probe micro-analysis (EPMA). Fe3+/ΣFe ratios determined by electron energy-loss spectroscopy (EELS) decrease in clinopyroxene from 22.2 ± 3.4 % at 800 °C to 13.3 ± 5.4 % at 1,300 °C, while in garnet, they vary between 10.8 ± 1.5 and 15.4 ± 4.7 %, respectively. Temperature estimates according to Krogh (Contrib Mineral Petrol 99:44–48, 1988) reproduce the experimental temperature to ±60 °C without systematic deviations if total iron is used in the calculation. If only the Fe2+ content is used, which was obtained by combining EPMA and EELS results, the experimental temperature is underestimated by 33 °C on average at 800–1,200 °C and overestimated by 77 °C on average at 1,300 °C. These systematic deviations can be explained by the temperature-dependent ratio of Fe2+/ΣFe in garnet divided by that in clinopyroxene. Since the difference between the calculated and experimental temperature is relatively small, a Fe2+-based recalibration of the thermometer appears not to be necessary for the investigated system in the range of pressure, temperature and composition covered by the experiments of this study.

Charge ordered state and structural distortions in Fe2OBO3

Electronic structural features of the charge ordered (CO) state in Fe${}_{2}$OBO${}_{3}$ have been theoretically calculated by using the ab initio method and analyzed in comparison with the experimental results of electron energy-loss spectroscopy (EELS). Structural relaxations using GGA+U reveal that the CO structure has a supercell of 2$a$ \ifmmode\times\else\texttimes\fi{} $b$ \ifmmode\times\else\texttimes\fi{} $c$ with the CO modulation along the $a$-axis direction. The theoretical investigations suggest that both lattice distortions and electrostatic repulsion are essentially important for understanding the properties of the CO state in the present system. This conclusion is also supported by the agreement between experimental and theoretical data for the O-$K$ and Fe-${L}_{2,3}$ edges in the electron energy-loss spectra. Moreover, both bond-valence-sum and spectral analysis demonstrate that the CO state adopts a quasi-ionic nature in Fe${}_{2}$OBO${}_{3}$.

Synthesis and Characterization of Hexagonal Boron Carbonitride Compounds Prepared by Solvothermal Method

A solvothermal method has successfully applied to prepare hexagonal boron carbonitride from CH3CN, NaN3 and NaBF4 in benzene at 400 . °C The synthesized product was characterized by X-ray powder diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), transmission electron microscopy (TEM), select area electron diffraction (SAED), X-ray energy-dispersive spectroscopy (EDS), and electron energy loss spectroscopy (EELS). XRD and SAED indicated that the synthesized product are h-BCN with the lattice constants of a=0.2678 nm and c=0.6639 nm. TEM images reveal that the products mainly consist of nanorods and quartet prism-like nanostructure. The results of EELS and EDS suggested that the product was composed of elements of B, C and N, and the chemical formula was B0.23C0.60N0.17. FTIR exhibited that the product had C—N, B—C and B—N bonds, indicating that an atomic-level hybrid of the three elements was synthesized.

Seeing oxygen disorder in YSZ/SrTiO3colossal ionic conductor heterostructures using EELS

Colossal ionic conductivity was recently discovered in YSZ/SrTiO3 multilayers and was explained in terms of strain- and interface-enhanced disorder of the O sublattice. In the present paper we use a combination of scanning transmission electron microscopy and electron energy loss spectroscopy (EELS) and theoretical EELS simulations to confirm the presence of a disordered YSZ O sublattice in coherent YSZ/SrTiO3 multilayers. O K-edge fine structure simulated for the strained disordered O sublattice phase of YSZ possesses blurred-out features compared to that of ordered cubic bulk YSZ, and experimental EELS fine structure taken from the strained YSZ of coherent YSZ/SrTiO3 thin films is similarly blurred out. Elemental mapping is shown to be capable of resolving ordered YSZ O sublattices. Elemental mapping of O in the coherent YSZ/STO multilayers is presented in which the O sublattice is seen to be clearly resolved in the STO but blurred out in the YSZ, indicating it to be disordered. In addition, we present imaging and EELS results which show that strained regions exist at the incoherent interfaces of YSZ islands in STO with blurred out fine structure, suggesting these incoherent regions may also support high ionic conductivities. Recently, Cavallaro et al. reported electronic conductivities in samples of incoherent disconnected islands embedded in STO that are similar to the islands described herein. The presence of a region of O depleted STO at the interface with incoherent YSZ islands is revealed by EELS elemental mapping, implying the n-type doping of STO/YSZ nanocomposites with disconnected incoherent YSZ islands.

In-situ Observation of Nitriding Processes of Deposited-Ti Thin Films due to Ion Implantation in an Analytical Transmission Electron Microscope

Both hcp-Ti and CaF2-type TiHx (x ≅ 1.5), and only hcp-Ti, with preferred orientations have been deposited on NaCl (001) substrates held at room temperature (RT) and 250°C, respectively. In order to clarify atomistic growth processes of TiNy films due to the implantation of nitrogen ions (N2+) with 62 keV into as-deposited Ti films, changes of the concentration of H and/or N atoms in Ti films, and of the crystallographic and electronic structures of the films by heating and by nitriding have been investigated by in-situ transmission electron microscope (TEM) equipped with electron energy loss spectroscopy (EELS), with the aid of molecular orbital calculations. Hydrogen atoms which constitute TiHx in the Ti films deposited at RT are released with heating, and are completely released at 350°C. The H-released unstable fcc-Ti sublattice is then transformed into hcp-Ti. The energy loss peak due to the plasmon excitation observed by EELS for TiHx shifts to the lower energy side with the decrease in the electron density in the hybridized valence band, which means the release of H atoms from TiHx during heating. On the other hand, the TiNy is epitaxially formed by the N-implantation into the hcp-Ti, through the epitaxial transformation of the hcp-Ti to fcc-Ti sublattice, partially inheriting the atomic arrangement of the hcp-Ti, and accompanying the occupation of O-sites of the transformed fcc-Ti by N atoms. The energy loss peak due to the plasmon excitation during N-implantation into the hcp-Ti films gradually shifts to the higher energy side with the increase in dose of N, which means the increase in the electron density in the hybridized valence band. By comparing the results of EELS with those of Rutherford Backscattering Spectrometry, it is clarified that the maximum concentration of N in Ti films during the N-implantation depends on the implantation temperature. The comparison between the results of EELS and those of the molecular orbital calculations elucidates that the changes of electronic structures near the Fermi level depend on the ratio of N/Ti in the films. Furthermore, taking into account the bonding interaction of Ti sublattices with ligand N atoms, the transformation mechanisms between hcp-Ti and TiNy due to the implantation of N atoms are proposed. [DOI: 10.1380/ejssnt.2011.191]

Morphological and Magnetic Properties of Superparamagnetic Carbon-Coated Fe Nanoparticles Produced by Arc Discharge

Spherical carbon coated iron particles of nanometric diameter in the 5-10 nm range have been produced by arc discharge at near-atmospheric pressure conditions (using 5-8 x 10(4) Pa of He). The particles exhibit a crystalline dense iron core with an average diameter of 7.4 +/- 2.0 nm surrounded by a sealed carbon shell, shown by transmission electron microscopy (TEM), selected-area diffraction (SAED), energy-dispersive X-ray analysis (STEM-EDX) and electron energy loss spectroscopy (EELS). The SAED, EDX and EELS results indicate a lack of traces of core oxidized phases showing an efficient protection role of the carbon shell. The magnetic properties of the nanoparticles have been investigated in the 5-300 K temperature range using a superconducting quantum interference device (SQUID). The results reveal a superparamagnetic behaviour with an average monodomain diameter of 7.6 nm of the nanoparticles. The zero field cooled and field cooled (ZFC-FC) magnetization curves show a blocking temperature (T(B)) at room temperature very suitable for biomedical applications (drug delivery, magnetic resonance imaging, hyperthermia).

Chemical analysis of nickel silicides with high spatial resolution by combined EDS, EELS and ELNES

The purpose of this study is to develop methodologies for the characterization of Ni-silicides by analytical TEM techniques. The measurements are performed in STEM mode to allow a good spatial resolution. Initial examination of the Ni-silicide phases is done by energy-dispersive X-ray spectroscopy (EDS). It is shown that quantification results with high accuracy and precision are obtained when a Ni-silicide reference layer is used as a standard, and an absorption correction is applied to the data. The EDS quantification results are then used as a reference for the quantitative electron energy-loss spectroscopy (EELS) analysis. It is shown that EELS analysis yields quantification results with high accuracy and precision, when the EELS data are treated with a model based approach. The EELS analysis is combined with a study of the Ni-L2,3 near-edge structure (ELNES). The ELNES of the phases can be distinguished either visually or by calculating the branching ratio from the spectra with the model based approach. This paper shows that the different Ni-silicide phases can be distinguished with these EELS based methods. The accuracy and precision of the EDS and EELS results are compared.

Experimental and Theoretical Investigation of the Pyrrole/Al(100) Interface

The electronic properties of the pyrrole/Al(100) interface have been investigated from both a theoretical and experimental point of view. Electron energy loss spectroscopy (EELS) in specular reflection geometry does not reveal modification of the electronic structure of the molecule when adsorbed on the Al surface. EELS results and the low desorption temperature of pyrrole indicate a weak molecule/metal interaction. Ab initio calculations in the framework of the single-particle density functional theory within the local density approximation was used to investigate the adsorption energy and geometry. The low adsorption energy, -0.51 eV per molecule, and the high N-Al distance, 1.98 A, confirm the weak interaction of pyrrole adsorbed on the Al surface.

Local analysis of the edge dislocation core in BaTiO3 thin film by STEM‐EELS

The a <100> edge dislocation core formed in an epitaxial BaTiO(3) (BTO) thin film grown on a substrate was investigated by scanning transmission electron microscopy combined with electron energy-loss spectroscopy. Elemental analysis using core-loss spectrum indicates that the atomic ratios of O/Ti and Ba/Ti are decreased at the dislocation core. The near-edge fine structure of the oxygen K-edge recorded from the dislocation core differs slightly from that of relaxed BTO region, which suggests that Ba-O bonding is decreased at the dislocation core. The structure of the dislocation core is discussed using a high-angle annular dark-field image and the electron energy-loss spectroscopy results.

Interfacial structure of epitaxial SrTiO3 on Si: experiments and simulations

The interfacial structure of epitaxial SrTiO3 (STO) on Si has been investigated using combined experimental and theoretical approaches. Together with high resolution high angle annular dark field image, spatially resolved electron energy loss spectroscopy (EELS) acquired across the STO/Si interface reveals an interfacial region of 1–2 monolayer thickness, which is lacking in Sr, but contains Ti, Si and O. General agreement exists between the experimental EELS results and the simulated ones, which are obtained based on a classical molecular dynamics interface model, disclosing a gradual change in the local atomic coordination symmetry and possible defect incorporation at the interface.