Browsing by Subject "Photoelectron spectroscopy"

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Open Access
Bias in bonding behavior among boron, carbon, and nitrogen atoms in ion implanted a-BN, a-BC, and diamond like carbon films
(2011) Genisel, M. F.; Uddin, M. N.; Say, Z.; Kulakci, M.; Turan, R.; Gulseren, O.; Bengu, E.
In this study, we implanted Nþ and Nþ 2 ions into sputter deposited amorphous boron carbide (a-BC) and diamond like carbon (DLC) thin films in an effort to understand the chemical bonding involved and investigate possible phase separation routes in boron carbon nitride (BCN) films. In addition, we investigated the effect of implanted Cþ ions in sputter deposited amorphous boron nitride (a-BN) films. Implanted ion energies for all ion species were set at 40 KeV. Implanted films were then analyzed using x-ray photoelectron spectroscopy (XPS). The changes in the chemical composition and bonding chemistry due to ion-implantation were examined at different depths of the films using sequential ion-beam etching and high resolution XPS analysis cycles. A comparative analysis has been made with the results from sputter deposited BCN films suggesting that implanted nitrogen and carbon atoms behaved very similar to nitrogen and carbon atoms in sputter deposited BCN films. We found that implanted nitrogen atoms would prefer bonding to carbon atoms in the films only if there is no boron atom in the vicinity or after all available boron atoms have been saturated with nitrogen. Implanted carbon atoms also preferred to either bond with available boron atoms or, more likely bonded with other implanted carbon atoms. These results were also supported by ab-initio density functional theory calculations which indicated that carbon-carbon bonds were energetically preferable to carbon-boron and carbon-nitrogen bonds.
Open Access
Communication: Enhancement of dopant dependent x-ray photoelectron spectroscopy peak shifts of Si by surface photovoltage
(2011) Sezen, H.; Süzer, Şefik
Binding energies measured by x-ray photoelectron spectroscopy (XPS) are influenced by doping, since electrons are transferred to (p-type) and from (n-type) samples when they are introduced into the spectrometer, or brought into contact with each other (p-n junction). We show that the barely measurable Si2p binding energy difference between moderately doped n- and p-Si samples can be enhanced by photoillumination, due to reduction in surface band-bending, which otherwise screens this difference. Similar effects are also measured for samples containing oxide layers, since the band-bending at the buried oxide-Si interfaces is manifest as photovoltage shifts, although XPS does not probe the interface directly. The corresponding shift for the oxide layer of the p-Si is almost twice that of without the oxide, whereas no measurable shifts are observable for the oxide of the n-Si. These results are all related to band-bending effects and are vital in design and performance of photovoltaics and other related systems.
Open Access
Electron spectroscopic investigations of CdS and CdTe electrochemically coated on glass
(Springer, 1996) Süzer, Ş.; Kutun, Ş.; Kadırgan, F.
The electrodeposition of CdS and CdTe is investigated to improve the stoichiometric properties of CdS/CdTe layers on ITO-glass substrates for solar cell applications. X-ray photoelectron spectroscopy is utilized for the characterization of the CdS and CdTe layers. The influence of the electrodeposition potential, the pH and the thiosulfate concentration on the stoichiometry of CdS and CdTe layers are discussed. © Springer-Verlag 1996.
Open Access
Electronic structure of conducting organic polymers: insights from time-dependent density functional theory
(John Wiley & Sons Ltd., 2014) Salzner, U.
Conducting organic polymers (COPs) became an active field of research after it was discovered how thin films rather than insoluble infusible powders can be produced. The combination of the properties of plastics with those of semiconductors opened the research field of organic electronics. COPs share many electronic properties with inorganic semiconductors, but there are also major differences, e.g., the nature of the charge carriers and the amount of the exciton binding energy. Theoretical analysis has been used to interpret experimental observations early on. The polaron model that was developed from one-electron theories is still the most widely used concept. In the 1990s, time-dependent density functional theory (TDDFT) became available for routine calculations. Using TDDFT, electronic states of long oligomers can be calculated. Now UV spectra of neutral and oxidized or reduced species can be compared with in situ UV spectra recorded during doping. Likewise states of cations can be used to model photoelectron spectra. Analysis of states has resolved several puzzles which cannot be understood with the polaron model, e.g., the origin of the dual absorption band of green polymers and the origin of a 'vestigial neutral band' upon doping of long oligomers. DFT calculations also established that defect localization is not crucial for spectral changes observed during doping and that there are no bound bipolarons in COPs.
Open Access
Modeling photoelectron spectra of conjugated oligomers with time-dependent density functional theory
(American Chemical Society, 2010) Salzner, U.
With the aim of producing accurate band structures of conjugated systems by employing the states of cations, TDDFT calculations on conjugated oligomer radical cations of thiophene, furan, and pyrrole with one to eight rings were carried out. Benchmarking of density functional theory and ab initio methods on the thiophene monomer shows that the ΔSCF ionization potential (IP) is most accurate at the B3LYP/6-311G* level. Improvement of the basis set beyond 6-311G* leads to no further changes. The IP is closer to experiment at B3LYP/6-311G* than at CCSD(T)/CCPVQZ. For longer oligomers the ΔSCF IPs decrease too fast with increasing chain length with all density functionals. CCSD/6-311G* performs well if the geometries are optimized at the CCSD level. With MP2 geometries IPs decrease too fast. Peak positions in photoelectron spectra were determined by adding appropriate TDDFT excitation energies of radical cations to the ΔSCF IPs. The agreement with experiment and with Green function calculations shows that TDDFT excited states of radical cations at the B3LYP/6-311G* level are very accurate and that absorption energies can be employed to predict photoelectron spectra.
Open Access
A photoelectron spectroscopic investigation of conducting polypyrolle-polyamide composite film
(Elsevier, 1995-04) Süzer, Şefik; Toppare, L.; Allen, G. C.; Hallam, K. R.
X-ray photoelectron spectrum of the electrochemically prepared polypyrrole and polypyrrole-polyamide composite films exhibit an additional strong high binding energy peak at 402.0 eV corresponding to N+ moieties. Intensity of this peak is significantly reduced upon electrochemical reduction. Atomic concentrations derived from the observed N+ and F (stemming from the dopant BF4-) peaks reveal a slightly higher cation/anion ratio for this composite and suggest that the composite has a different chemical composition than the corresponding polymers. © 1995 Elsevier Science B.V.
Open Access
Preparation of Au and Au-Pt nanoparticles within PMMA matrix using UV and X-ray irradiation
(2009) Ozkaraoglu, E.; Tunc, I.; Süzer, Şefik
Au and Au-Pt alloy nanoparticles are prepared and patterned at room temperature within the PMMA polymer matrix by the action of 254 nm UV light or X-rays. The polymer matrix enables us to entangle the kinetics of the photochemical reduction from the nucleation and growth processes, when monitored by UV-vis spectroscopy. Accordingly, increase of the temperature to 50 °C of the reaction medium increases the nucleation and growth rates of the nanoparticle formation by more than one order of magnitude, due to enhanced diffusion and nucleation at the higher temperature, but has no effect on the photochemical reduction process. Presence of Pt ions also increases the same rate, but by a factor two only. Similar photochemical reduction and particle growth take also place within the PMMA matrix, when these metal ions are subjected to prolonged exposure to X-rays, as evidenced by XPS analysis. Both angle-resolved and charge-contrast measurements using XPS reveal that the resultant Au and Pt species are in close proximity to each other, indicating the Au-Pt alloy formation to be the most likely case.
Open Access
Raman and TEM studies of Ge nanocrystal formation in SiOx: Ge/SiOx multilayers
(Wiley, 2007) Dana, Aykutlu; Aǧan, S.; Tokay, S.; Aydınlı, Atilla; Finstad, T. G.
Alternating germanosilicate-siliconoxide layers of 10-30 nm thickness were grown on Si substrates by plasma enhanced chemically vapor deposition (PECVD). The compositions of the grown films were determined by X-ray photoelectron spectroscopy measurements. The films were annealed at temperatures varying from 670 to 1000°C for 5 to 45 minutes under nitrogen atmosphere. High resolution cross section TEM images, electron diffraction and electron energy-loss spectroscopy as well as energy-dispersive X-ray analysis (EDAX) data confirm presence of Ge nanocrystals in each layer. The effect of annealing on the Ge nanocrystal formation in multilayers was investigated by Raman spectroscopy and Transmission Electron Microscopy (TEM). As the annealing temperature is raised to 850°C, single layer of Ge nanocrystals observed at lower annealing temperatures is transformed into a double layer with the smaller sized nanocrystals closer to the substrate SiO2 interface.
Open Access
Selective catalytic ammonia oxidation to nitrogen by atomic oxygen species on Ag (111)
(American Chemical Society, 2017) Karatok, M.; Vovk, E. I.; Koc, A. V.; Ozensoy, E.
Ammonia-selective catalytic oxidation was studied on the planar Ag(111) single-crystal model catalyst surface under ultra-high-vacuum (UHV) conditions. A variety of oxygen species were prepared via ozone decomposition on pristine Ag(111). Surface coverages of oxygen species were quantified by temperature-programmed desorption (TPD) and X-ray photoemission spectroscopy techniques. Exposure of ozone on Ag(111) at 140 K led to a surface atomic oxygen (Oa) overlayer. Low-energy electron diffraction experiments revealed that annealing of this atomic oxygen-covered Ag(111) surface at 473 K in UHV resulted in the formation of ordered oxide surfaces (Oox) with p(5×1) or c(4×8) surface structures. Ammonia interactions with O/Ag(111) surfaces monitored by temperature-programmed reaction spectroscopy indicated that disordered surface atomic oxygen selectively catalyzed N-H bond cleavage, yielding mostly N2 along with minor amounts of NO and N2O. Higher coverage O/Ag(111) surfaces, whose structure was tentatively assigned to a bulklike amorphous silver oxide (Obulk), showed high selectivity toward N2O formation (rather than N2) due to its augmented oxygen density. In contrast, ordered surface oxide overlayers on Ag(111) (where the order was achieved by annealing the oxygen adlayer to 473 K) showed only very limited reactivity toward ammonia. The nature of the adsorbed NH3 species on a clean Ag(111) surface and its desorption characteristics were also investigated via infrared reflection absorption spectroscopy and TPD techniques. Current findings demonstrate that the Ag(111) surface can selectively oxidize NH3 to N2 under well-defined experimental conditions without generating significant quantities of environmentally toxic species such as NO2, NO, or N2O.
Open Access
Ultrasensitive electrospun fluorescent nanofibrous membrane for rapid visual colorimetric detection of H2O2
(Springer Verlag, 2016-02) Senthamizhan A.; Balusamy, B.; Aytac Z.; Uyar, Tamer
We report herein a flexible fluorescent nanofibrous membrane (FNFM) prepared by decorating the gold nanocluster (AuNC) on electrospun polysulfone nanofibrous membrane for rapid visual colorimetric detection of H2O2. The provision of AuNC coupled to NFM has proven to be advantageous for facile and quick visualization of the obtained results, permitting instant, selective, and on-site detection. We strongly suggest that the fast response time is ascribed to the enhanced probabilities of interaction with AuNC located at the surface of NF. It has been observed that the color change from red to blue is dependent on the concentration, which is exclusively selective for hydrogen peroxide. The detection limit has been found to be 500 nM using confocal laser scanning microscope (CLSM), visually recognizable with good accuracy and stability. A systematic comparison was performed between the sensing performance of FNFM and AuNC solution. The underlying sensing mechanism is demonstrated using UV spectra, transmission electron microscopy (TEM), and X-ray photoelectron spectroscopy (XPS). The corresponding disappearance of the characteristic emissions of gold nanoclusters and the emergence of a localized surface plasmon resonance (LSPR) band, stressing this unique characteristic of gold nanoparticles. Hence, it is evident that the conversion of nanoparticles from nanoclusters has taken place in the presence of H2O2. Our work here has paved a new path for the detection of bioanalytes, highlighting the merits of rapid readout, sensitivity, and user-friendliness.