Primary role of electron work function for evaluation of nanostructured titania implant surface against bacterial infection

Energy Technology Data Exchange (ETDEWEB)

Golda-Cepa, M., E-mail: golda@chemia.uj.edu.pl [Faculty of Chemistry, Jagiellonian University, Ingardena 3, 30-060 Krakow (Poland); Syrek, K. [Faculty of Chemistry, Jagiellonian University, Ingardena 3, 30-060 Krakow (Poland); Brzychczy-Wloch, M. [Department of Bacteriology, Microbial Ecology and Parasitology, Jagiellonian University Medical College, Czysta 18, 31-121 Krakow (Poland); Sulka, G.D. [Faculty of Chemistry, Jagiellonian University, Ingardena 3, 30-060 Krakow (Poland); Kotarba, A., E-mail: kotarba@chemia.uj.edu.pl [Faculty of Chemistry, Jagiellonian University, Ingardena 3, 30-060 Krakow (Poland)

2016-09-01

The electron work function as an essential descriptor for the evaluation of metal implant surfaces against bacterial infection is identified for the first time. Its validity is demonstrated on Staphylococcus aureus adhesion to nanostructured titania surfaces. The established correlation: work function–bacteria adhesion is of general importance since it can be used for direct evaluation of any electrically conductive implant surfaces. - Highlights: • The correlation between work function and bacteria adhesion was discovered. • The discovered correlation is rationalized in terms of electrostatic bacteria–surface repulsion. • The results provide basis for the simple evaluation of implant surfaces against infection.

Primary role of electron work function for evaluation of nanostructured titania implant surface against bacterial infection

International Nuclear Information System (INIS)

Golda-Cepa, M.; Syrek, K.; Brzychczy-Wloch, M.; Sulka, G.D.; Kotarba, A.

2016-01-01

The electron work function as an essential descriptor for the evaluation of metal implant surfaces against bacterial infection is identified for the first time. Its validity is demonstrated on Staphylococcus aureus adhesion to nanostructured titania surfaces. The established correlation: work function–bacteria adhesion is of general importance since it can be used for direct evaluation of any electrically conductive implant surfaces. - Highlights: • The correlation between work function and bacteria adhesion was discovered. • The discovered correlation is rationalized in terms of electrostatic bacteria–surface repulsion. • The results provide basis for the simple evaluation of implant surfaces against infection.

Correlation of H- production and the work function of a surface in a hydrogen plasma

International Nuclear Information System (INIS)

Wada, M.

1983-03-01

Surface-plasma negative hydrogen ion sources are being developed as possible parts for future neutral beam systems. In these ion sources, negative hydrogen ions (H - ) are produced at low work function metal surfaces immersed in hydrogen plasmas. To investigate the correlation between the work function and the H - production at the surface with a condition similar to the one in the actual plasma ion source, these two parameters were simultaneously measured in the hydrogen plasma environment

Ab initio and work function and surface energy anisotropy of LaB6

NARCIS (Netherlands)

Uijttewaal, M. A.; de Wijs, G. A.; de Groot, R. A.

2006-01-01

Lanthanum hexaboride is one of the cathode materials most used in high-power electronics technology, but the many experimental results do not provide a consistent picture of the surface properties. Therefore, we report the first ab initio calculations of the work functions and surface energies of

Intrinsic work function of molecular films

International Nuclear Information System (INIS)

Ivančo, Ján

2012-01-01

The electronic properties of molecular films are analysed with the consideration of the molecular orientation. The study demonstrates that surfaces of electroactive oligomeric molecular films can be classified—analogously to the elemental surfaces—by their intrinsic work functions. The intrinsic work function of molecular films is correlated with their ionisation energies; again, the behaviour is analogous to the correlation existing between the first ionisation energy of elements and the work function of the corresponding elemental surfaces. The proposed intrinsic work-function concept suggests that the mechanism for the energy-level alignment at the interfaces associated with molecular films is virtually controlled by work functions of materials brought into the contact. - Highlights: ► Molecular films exhibit their own (intrinsic) work function. ► Intrinsic work function is correlated with ionisation energy of molecular films. ► Intrinsic work function determines dipole at interface with a particular surface. ► Surface vacuum-level change upon film growth does not relate to interfacial dipole.

Work surface for soluble plutonium

International Nuclear Information System (INIS)

Silver, G.L.

2005-01-01

A three-dimensional work surface for aqueous plutonium is illustrated. It is constructed by means of estimating work as a function of the ambient pH and redox potential in a plutonium solution. The surface is useful for illustrating the chemistry of disproportionation reactions. Work expressions are easier to use than work integrals. (author)

The effect of surface depletion on the work function of arc-melted dilute solution tungsten-iridium alloys

International Nuclear Information System (INIS)

D'Cruz, L.A.; Bosch, D.R.; Jacobson, D.L.

1991-01-01

The requirements of thermionic electrode materials have emphasized the need for substantial improvements in microstructural stability, strength, and creep resistance at service temperature in excess of 2,500K. The present work extends an earlier study of the effective work function trends of a series of dilute solution tungsten, iridium alloys with iridium contents of 1, 3, and 5 wt%. Since the lifetime of candidate electrode materials is an important consideration, the present work attempts to evaluate the repeatability of the work function trends in these alloys. The effective work function was obtained from measurements of the current emitted from the electrode surface under UHV conditions in the temperature range of 1,800-2,500K using a Vacuum Emission Vehicle (VEV). The data generated in this work have been compared with data obtained in earlier studies performed on these alloys. It was found that the magnitude of the effective work function of these alloys was affected by changes in the subsurface iridium concentration. Furthermore, these alloys exhibited a dependence of the work function on temperature, after prolonged exposure to elevated temperatures. Such a temperature dependence can be explained by diffusion-controlled changes in the coverage of an iridium monolayer on the surface. It is proposed that the significant difference in effective work function trends obtained after prolonged exposure to elevated temperatures is a direct consequence of changes in the coverage of an iridium-rich monolayer on the electrode surface. The constitution of such a surface layer, however, would be governed by composition changes in the subsurface regions of the electrode caused thermally-activated transport processes

Electron work function of metallic surfaces, covered with by metal adatoms, and two-dimensional structure of adlayer

International Nuclear Information System (INIS)

Rudnitskij, L.A.

1986-01-01

Change in electron work function during metal adatom (Ti, W, Ag, Au) adsorption on different tungsten surfaces in ''polycrystalline'' and epitaxial types of adsorpted layers is studied. Calculational and experimental dependences of work function change on coating thickness are built

A work function study of ultra-thin alumina formation on NiAl(1 1 0) surface

International Nuclear Information System (INIS)

Song, Weijie; Yoshitake, Michiko

2005-01-01

We have investigated the oxidation of NiAl(1 1 0) surface at 1020 and 670 K using ultra-violet photoelectron spectroscopy, Kelvin probe, X-ray photoelectron spectroscopy and low-energy electron diffraction. The work function change during oxidation was monitored in situ as a function of oxygen exposure. It was observed that the work function decreased by 0.6 eV after 7.9 A of well-ordered Al 2 O 3 formation on NiAl(1 1 0) at 1020 K. The formation of the interfacial dipole layer was the main factor that determined the work function and XPS binding energy shifts of Al 2 O 3 energy levels. The work function decreased by 0.8 eV after 5.1 A of amorphous Al 2 O 3 formation at 670 K. The oxide layer structure was one of Key factors that determined the work function of the Al 2 O 3 /NiAl(1 1 0) system

Deduction of work function of carbon nanotube field emitter by use of curved-surface theory

International Nuclear Information System (INIS)

Edgcombe, C J; Jonge, N de

2007-01-01

The theory given earlier for field emission from a curved surface has been extended to use the parameter d characterizing the energy distribution. Measurement of the curvature of the Fowler-Nordheim plot together with d for the same emitter enables the work function of the surface to be deduced, together with emitter radius, notional surface field, effective solid angle of emission and supply factor. For this calculation an assumed form of potential distribution was used, but it is desirable to repeat the calculation with a potential obtained from atomic-scale simulation

Local changes of work function near rough features on Cu surfaces operated under high external electric field

Energy Technology Data Exchange (ETDEWEB)

Djurabekova, Flyura, E-mail: flyura.djurabekova@helsinki.fi; Ruzibaev, Avaz; Parviainen, Stefan [Helsinki Institute of Physics and Department of Physics, University of Helsinki, P.O. Box 43, FI-00014 Helsinki (Finland); Holmström, Eero [Department of Physics, University of Helsinki, P.O. Box 64, FIN-00014 Helsinki (Finland); Department of Earth Sciences, Faculty of Maths and Physical Sciences, UCL Earth Sciences, Gower Street, London WC1E 6BT (United Kingdom); Hakala, Mikko [Department of Physics, University of Helsinki, P.O. Box 64, FIN-00014 Helsinki (Finland)

2013-12-28

Metal surfaces operated under high electric fields produce sparks even if they are held in ultra high vacuum. In spite of extensive research on the topic of vacuum arcs, the mystery of vacuum arc origin still remains unresolved. The indications that the sparking rates depend on the material motivate the research on surface response to extremely high external electric fields. In this work by means of density-functional theory calculations we analyze the redistribution of electron density on (100) Cu surfaces due to self-adatoms and in presence of high electric fields from −1 V/nm up to −2 V/nm (−1 to −2 GV/m, respectively). We also calculate the partial charge induced by the external field on a single adatom and a cluster of two adatoms in order to obtain reliable information on charge redistribution on surface atoms, which can serve as a benchmarking quantity for the assessment of the electric field effects on metal surfaces by means of molecular dynamics simulations. Furthermore, we investigate the modifications of work function around rough surface features, such as step edges and self-adatoms.

Study of clean and ion bombardment damaged silver single crystal surfaces by work function measurements

International Nuclear Information System (INIS)

Chelvayohan, N.

1982-06-01

Work function values of the (110), (100) and (111) faces of silver single crystal were measured by the photoelectric emission method and found to be 4.14 +- 0.04 eV, 4.22 +-0.04 eV and 4.46 +- 0.02 eV respectively. Oxygen adsorption on the faces were studied by surface potential measurement. Strong oxygen adsorption was observed on (110) and (100) faces, whereas the (111) face was found to be inert for oxygen adsorption. Oxygen adsorption on the (111) face damaged by argon ion bombardment was also investigated. The above results were compared with those of early reported work function and oxygen adsorption values. (U.K.)

Tuning the work function of VO_2(1 0 0) surface by Ag adsorption and incorporation: Insights from first-principles calculations

International Nuclear Information System (INIS)

Chen, Lanli; Wang, Xiaofang; Shi, Siqi; Cui, Yuanyuan; Luo, Hongjie; Gao, Yanfeng

2016-01-01

Graphical abstract: - Highlights: • After adsorption, there is a charge transfer from Ag to VO_2(1 0 0) surface, which thus increases the electron concentration in VO_2 thin film. • Ag adsorption on VO_2(1 0 0) surface process is an exothermic chemical process, and the adsorption system is stable. • The work function can be tuned by Ag adsorption on and incorporation into the VO_2(1 0 0) surface, which in turn regulates the phase transition temperature of VO_2. - Abstract: VO_2 is an attractive material for application to thermochromic optoelectronic devices such as smart windows, and Ag/VO_2 double-layered structure can effectively decrease the phase transition temperature (T_c) of VO_2 thin film, which is very important for practical application of VO_2. Previous works has shown that the decrease in phase transition temperature (T_c) seems to be relevant with the work function of VO_2 in Ag/VO_2 double-layered thin film, although the underlying mechanism of tuning its T_c by Ag incorporation and adsorption on the VO_2(1 0 0) surface has been rarely investigated. Our first-principles calculations reveal that the adsorption of Ag atoms on the VO_2(1 0 0) surface rather than incorporation of Ag exhibits a lower work function, which is ascribed to an integrated effect of charge transfer from Ag to VO_2(1 0 0) surface and enhanced surface dipole moment. The results suggest that the decrease in work function of VO_2 with Ag adsorption favors the reduction in T_c. The current findings are helpful to understand the fundamental mechanism for yielding high-efficiency VO_2-based optoelectronic devices.

Tuning the work function of VO{sub 2}(1 0 0) surface by Ag adsorption and incorporation: Insights from first-principles calculations

Energy Technology Data Exchange (ETDEWEB)

Chen, Lanli; Wang, Xiaofang [School of Materials Science and Engineering, Shanghai University, Shanghai 200444 (China); Shi, Siqi, E-mail: sqshi@shu.edu.cn [School of Materials Science and Engineering, Shanghai University, Shanghai 200444 (China); Materials Genome Institute, Shanghai University, Shanghai 200444 (China); Cui, Yuanyuan [School of Materials Science and Engineering, Shanghai University, Shanghai 200444 (China); Luo, Hongjie [School of Materials Science and Engineering, Shanghai University, Shanghai 200444 (China); Materials Genome Institute, Shanghai University, Shanghai 200444 (China); Gao, Yanfeng, E-mail: yfgao@shu.edu.cn [School of Materials Science and Engineering, Shanghai University, Shanghai 200444 (China)

2016-03-30

Graphical abstract: - Highlights: • After adsorption, there is a charge transfer from Ag to VO{sub 2}(1 0 0) surface, which thus increases the electron concentration in VO{sub 2} thin film. • Ag adsorption on VO{sub 2}(1 0 0) surface process is an exothermic chemical process, and the adsorption system is stable. • The work function can be tuned by Ag adsorption on and incorporation into the VO{sub 2}(1 0 0) surface, which in turn regulates the phase transition temperature of VO{sub 2}. - Abstract: VO{sub 2} is an attractive material for application to thermochromic optoelectronic devices such as smart windows, and Ag/VO{sub 2} double-layered structure can effectively decrease the phase transition temperature (T{sub c}) of VO{sub 2} thin film, which is very important for practical application of VO{sub 2}. Previous works has shown that the decrease in phase transition temperature (T{sub c}) seems to be relevant with the work function of VO{sub 2} in Ag/VO{sub 2} double-layered thin film, although the underlying mechanism of tuning its T{sub c} by Ag incorporation and adsorption on the VO{sub 2}(1 0 0) surface has been rarely investigated. Our first-principles calculations reveal that the adsorption of Ag atoms on the VO{sub 2}(1 0 0) surface rather than incorporation of Ag exhibits a lower work function, which is ascribed to an integrated effect of charge transfer from Ag to VO{sub 2}(1 0 0) surface and enhanced surface dipole moment. The results suggest that the decrease in work function of VO{sub 2} with Ag adsorption favors the reduction in T{sub c}. The current findings are helpful to understand the fundamental mechanism for yielding high-efficiency VO{sub 2}-based optoelectronic devices.

Engineering the work function of armchair graphene nanoribbons using strain and functional species: a first principles study

International Nuclear Information System (INIS)

Peng Xihong; Tang Fu; Copple, Andrew

2012-01-01

First principles density functional theory calculations were performed to study the effects of strain, edge passivation, and surface functional species on the structural and electronic properties of armchair graphene nanoribbons (AGNRs), with a particular focus on the work function. The work function was found to increase with uniaxial tensile strain and decrease with compression. The variation of the work function under strain is primarily due to the shift of the Fermi energy with strain. In addition, the relationship between the work function variation and the core level shift with strain is discussed. Distinct trends of the core level shift under tensile and compressive strain were discovered. For AGNRs with the edge carbon atoms passivated by oxygen, the work function is higher than for nanoribbons with the edge passivated by hydrogen under a moderate strain. The difference between the work functions in these two edge passivations is enlarged (reduced) under a sufficient tensile (compressive) strain. This has been correlated to a direct-indirect bandgap transition for tensile strains of about 4% and to a structural transformation for large compressive strains at about - 12%. Furthermore, the effect of the surface species decoration, such as H, F, or OH with different covering density, was investigated. It was found that the work function varies with the type and coverage of surface functional species. Decoration with F and OH increases the work function while H decreases it. The surface functional species were decorated on either one side or both sides of AGNRs. The difference in the work functions between one-sided and two-sided decorations was found to be relatively small, which may suggest an introduced surface dipole plays a minor role. (paper)

Influence of Surface Adsorption on Work Function Measurements on Gold-Platinum Interface Using Scanning Kelvin Probe Microscopy

International Nuclear Information System (INIS)

Mugo, Simon; Yuan Jun

2012-01-01

Surface potential difference (SPD) on freshly coated gold and platinum electrodes have been found to be much smaller than bulk work functions consideration and to be dependent on time. We show these discrepancies arise due to formation of surface dipoles caused by adsorbed contaminants in ambient environments. The process is reversible by gentle annealing consistent with contaminant hypothesis. Examination of potential changes on individual electrodes suggest that the Pt surface is more sensitive to ambient conditions than the Au surface in accordance with their relative chemical activities. The result has great implication for interpretation of Kelvin probe measurements obtained on practical devices exposed to ambient environments.

A general phenomenological model for work function

Science.gov (United States)

Brodie, I.; Chou, S. H.; Yuan, H.

2014-07-01

A general phenomenological model is presented for obtaining the zero Kelvin work function of any crystal facet of metals and semiconductors, both clean and covered with a monolayer of electropositive atoms. It utilizes the known physical structure of the crystal and the Fermi energy of the two-dimensional electron gas assumed to form on the surface. A key parameter is the number of electrons donated to the surface electron gas per surface lattice site or adsorbed atom, which is taken to be an integer. Initially this is found by trial and later justified by examining the state of the valence electrons of the relevant atoms. In the case of adsorbed monolayers of electropositive atoms a satisfactory justification could not always be found, particularly for cesium, but a trial value always predicted work functions close to the experimental values. The model can also predict the variation of work function with temperature for clean crystal facets. The model is applied to various crystal faces of tungsten, aluminium, silver, and select metal oxides, and most demonstrate good fits compared to available experimental values.

Functionalized polymer film surfaces via surface-initiated atom transfer radical polymerization

International Nuclear Information System (INIS)

Hu, Y.; Li, J.S.; Yang, W.T.; Xu, F.J.

2013-01-01

The ability to manipulate and control the surface properties of polymer films, without altering the substrate properties, is crucial to their wide-spread applications. In this work, a simple one-step method for the direct immobilization of benzyl chloride groups (as the effective atom transfer radical polymerization (ATRP) initiators) on the polymer films was developed via benzophenone-induced coupling of 4-vinylbenzyl chloride (VBC). Polyethylene (PE) and nylon films were selected as examples of polymer films to illustrate the functionalization of film surfaces via surface-initiated ATRP. Functional polymer brushes of (2-dimethylamino)ethyl methacrylate, sodium 4-styrenesulfonate, 2-hydroxyethyl methacrylate and glycidyl methacrylate, as well as their block copolymer brushes, have been prepared via surface-initiated ATRP from the VBC-coupled PE or nylon film surfaces. With the development of a simple approach to the covalent immobilization of ATRP initiators on polymer film surfaces and the inherent versatility of surface-initiated ATRP, the surface functionality of polymer films can be precisely tailored. - Highlights: ► Atom transfer radical polymerization initiators were simply immobilized. ► Different functional polymer brushes were readily prepared. ► Their block copolymer brushes were also readily prepared

Effects of vacuum heat treatment on the photoelectric work function and surface morphology of multilayered silver–metal electrical contacts

International Nuclear Information System (INIS)

Akbi, Mohamed; Bouchou, Aïssa; Zouache, Noureddine

2014-01-01

Contact materials used for electrical breakers are often made with silver alloys. Mechanical and thermodynamical properties as well as electron emission of such complicated alloys present a lack of reliable and accurate experimental data. This paper deals mainly with electron work function (EWF) measurements about silver–metal (Ag–Me) electrical contacts (Ag–Ni (60/40) and Ag–W (50/50)), before and after surface heat treatments at 513 K–873 K, under UHV conditions (residual gas pressure of 1.4 × 10 −7 mbar). The electron work function (EWF) of silver alloyed contacts was measured photoelectrically, using both Fowler's method of isothermal curves and linearized Fowler plots. An interesting fact brought to light by this investigation is that after vacuum heat treatments, the diffusion and/or evaporation phenomena, affecting the atomic composition of the alloy surface, somehow confine the EWF of the silver–nickel alloy, Φ(Ag–Ni), determined at room temperature in interval]Φ(Ag), Φ(Ni) [=] 4.26 eV, 4.51 eV[. Surface analysis of two specimens before and after heating showed a significant increase of tungsten atomic proportion on the contact surface for Ag–W contacts after VH treatments. A multilayer model, taking into account the strong intergranular and volume segregation gives a good interpretation of the obtained results.

Ab initio work function of elemental metals

DEFF Research Database (Denmark)

Skriver, Hans Lomholt; Rosengaard, N. M.

1992-01-01

We have used a recently developed self-consistent Green’s-function technique based on tight-binding linear-muffin-tin-orbital theory to calculate the work function for the close-packed surfaces of 37 elemental metals. The results agree with the limited experimental data obtained from single cryst...

Study on the sweep gas effect on the surface of Li{sub 4}SiO{sub 4} by means of work function measurement

Energy Technology Data Exchange (ETDEWEB)

Suzuki, Atsushi; Yamaguchi, Kenji; Yamawaki, Michio [Tokyo Univ. (Japan)

1998-03-01

In the establishment of fuel cycle of tritium, it is important to make research on how the sweep gas composition affects the surface properties of breeder materials and the release of tritium from the surface of them. In this study, the change of contact potential difference (CPD) between Li{sub 4}SiO{sub 4} and Pt was measured in various gas compositions with a high temperature Kelvin probe. The work function change of Li{sub 4}SiO{sub 4} was obtained from the measured CPD and the work function change of Pt which was estimated from blank tests. From the results, the effect of oxygen deficient layer near the surface of Li{sub 4}SiO{sub 4} was observed, and the effect of OH{sup -} at the surface of Li{sub 4}SiO{sub 4} was considered. (author)

Work function tuning of tin-doped indium oxide electrodes with solution-processed lithium fluoride

Energy Technology Data Exchange (ETDEWEB)

Ow-Yang, C.W., E-mail: cleva@sabanciuniv.edu [Materials Science and Engineering Program, Sabanci University, Orhanli, Tuzla, 34956 Istanbul (Turkey); Nanotechnology Application Center, Sabanci University, Orhanli, Tuzla, 34956 Istanbul (Turkey); Jia, J. [Graduate School of Science and Engineering, Aoyama Gakuin University, 5-10-1 Fuchinobe, Chuo, Sagamihara, Kanagawa 252-5258 (Japan); Aytun, T. [Materials Science and Engineering Program, Sabanci University, Orhanli, Tuzla, 34956 Istanbul (Turkey); Zamboni, M.; Turak, A. [Department of Engineering Physics, McMaster University, Hamilton, Ontario L8S 4L8 (Canada); Saritas, K. [Materials Science and Engineering Program, Sabanci University, Orhanli, Tuzla, 34956 Istanbul (Turkey); Shigesato, Y. [Graduate School of Science and Engineering, Aoyama Gakuin University, 5-10-1 Fuchinobe, Chuo, Sagamihara, Kanagawa 252-5258 (Japan)

2014-05-30

Solution-processed lithium fluoride (sol-LiF) nanoparticles synthesized in polymeric micelle nanoreactors enabled tuning of the surface work function of tin-doped indium oxide (ITO) films. The micelle reactors provided the means for controlling surface coverage by progressively building up the interlayer through alternating deposition and plasma etch removal of the polymer. In order to determine the surface coverage and average interparticle distance, spatial point pattern analysis was applied to scanning electron microscope images of the nanoparticle dispersions. The work function of the sol-LiF modified ITO, obtained from photoelectron emission yield spectroscopy analysis, was shown to increase with surface coverage of the sol-LiF particles, suggesting a lateral depolarization effect. Analysis of the photoelectron emission energy distribution in the near threshold region revealed the contribution of surface states for surface coverage in excess of 14.1%. Optimization of the interfacial barrier was achieved through contributions from both work function modification and surface states. - Highlights: • Work function of indium tin oxide increased with LiF nanoparticle coverage. • Work function was analyzed via photoelectron emission yield (PEYS). • At higher surface coverage, the energy distribution of PEYS increased. • Pre-threshold increase in PEYS consistent with emission from surface states.

Work function of elemental metals and its face dependence ...

African Journals Online (AJOL)

The calculated work functions for the flat surface of the metals were in perfect agreement with experimental values for metals in the low-density limit and the agreement with experimental values decreased towards the high-density limit. The calculated work functions for the body centred cubic metals were in good agreement ...

Effect of annealing temperature on surface morphology and work function of ZnO nanorod arrays

Energy Technology Data Exchange (ETDEWEB)

Wu, Hainan [School of Materials Science and Engineering, Nanchang Hangkong University, Nanchang 330063 (China); Xue, Mingshan, E-mail: xuems04@mails.ucas.ac.cn [School of Materials Science and Engineering, Nanchang Hangkong University, Nanchang 330063 (China); Ou, Junfei [School of Materials Science and Engineering, Nanchang Hangkong University, Nanchang 330063 (China); Jiangsu Key Laboratory for Solar Cell Materials and Technology, Changzhou University, Changzhou 213164 (China); Wang, Fajun [School of Materials Science and Engineering, Nanchang Hangkong University, Nanchang 330063 (China); Li, Wen, E-mail: wenl@ualberta.ca [School of Materials Science and Engineering, Nanchang Hangkong University, Nanchang 330063 (China)

2013-07-15

Highlights: •The 600°C and 450°C isothermal sections of the Zn-Fe-B system are determined. •The solubility of Zn in Fe{sub 2}B and FeB at 600°C is 1.8 at.% and 2.5 at.%, respectively. •The solubility of Zn in Fe{sub 2}B and FeB at 450°C is 1.7 at.% and 2.1 at.%, respectively. •All Fe-Zn compounds can be in equilibrium with Fe{sub 2}B at 450°C. •Both FeB and Fe{sub 2}B are in equilibrium with the liquid phase at 600°C. -- Abstract: A simple and effective method of fabricating nanomaterials and the understanding of their electronic structures are significant for designing novel nanodevices. In this study, ZnO nanorod arrays on ITO substrate were synthesized by electrochemical deposition, and the effect of annealing temperature on surface morphology and especially work function was investigated using various techniques. The results indicated that the formation of hexagonal ZnO nanorod arrays with (0 0 0 1) orientation was strongly associated with the annealing temperature. The work function of well-aligned ZnO nanorod arrays is 4.84 eV, which shows an obvious dependence on the arrangement of ZnO nanorod arrays. These changes in work function of ZnO nanorod arrays (e.g., used as the photoanode of dye-sensitized solar cells) are important to understand the electron transport of related nanodevices.

Work function mediated by deposition of ultrathin polar FeO on Pt(111)

Energy Technology Data Exchange (ETDEWEB)

Lu, Shuangzan; Qin, Zhihui; Guo, Qinmin; Cao, Gengyu, E-mail: gycao@wipm.ac.cn

2017-01-15

Highlights: • Growth of FeO layers on Pt(111) is found to consecutively reduce the work function of the system. • The electrostatic compression effect and the structural relaxation make major contributions to the reductions. • Significant rectifying effect observed in the FeO layer is induced by band alignment shift as work function changing. - Abstract: Significant work function changes from bare Pt(111) surface to 1 monolayer and 2 monolayers of ultrathin iron oxide (FeO) films on it are investigated by means of scanning tunneling microscopy/spectroscopy (STM/STS). With FeO layer-by-layer growth, a continuous reduction of the work function along with the surface vacuum level (VL) shifting is observed. We found that the compression of the electron spill-out at the metal-oxide interface and the substantial reconstruction of 2 ML FeO film, respectively, make major contributions to the first and the second reductions of the work function. The rectifying effect in FeO films is also observed, which is attributed to the downward shift of band alignment imposed by the total change in surface dipole. Our work shows that the polar oxide films play an important role to adjust surface electronic structures for enhancing device functionality.

Work function mediated by deposition of ultrathin polar FeO on Pt(111)

International Nuclear Information System (INIS)

Lu, Shuangzan; Qin, Zhihui; Guo, Qinmin; Cao, Gengyu

2017-01-01

Highlights: • Growth of FeO layers on Pt(111) is found to consecutively reduce the work function of the system. • The electrostatic compression effect and the structural relaxation make major contributions to the reductions. • Significant rectifying effect observed in the FeO layer is induced by band alignment shift as work function changing. - Abstract: Significant work function changes from bare Pt(111) surface to 1 monolayer and 2 monolayers of ultrathin iron oxide (FeO) films on it are investigated by means of scanning tunneling microscopy/spectroscopy (STM/STS). With FeO layer-by-layer growth, a continuous reduction of the work function along with the surface vacuum level (VL) shifting is observed. We found that the compression of the electron spill-out at the metal-oxide interface and the substantial reconstruction of 2 ML FeO film, respectively, make major contributions to the first and the second reductions of the work function. The rectifying effect in FeO films is also observed, which is attributed to the downward shift of band alignment imposed by the total change in surface dipole. Our work shows that the polar oxide films play an important role to adjust surface electronic structures for enhancing device functionality.

Bulk-plasmon contribution to the work function of metals

International Nuclear Information System (INIS)

Gutierrez, F A; DIaz-Valdes, J; Jouin, H

2007-01-01

By consideration of the Koopmans theorem expression for the work function of a metal, we find that the total height of the surface barrier potential equals the value of the bulk-plasmon energy of pure metals. As a consequence a simple formula for the work function is obtained which shows better agreement with the experimental data than the most complete existent theories

Surface properties of functional polymer systems

Science.gov (United States)

Wong, Derek

Polymer surface modification typically involves blending with other polymers or chemical modification of the parent polymer. Such strategies inevitably result in polymer systems that are spatially and chemically heterogeneous, and which exhibit the phenomenon of surface segregation. This work investigates the effects of chain architecture on the surface segregation behavior of such functionally modified polymers using a series of end- and center-fluorinated poly(D,L-lactide). Surface segregation of the fluorinated functional groups was observed in both chain architectures via AMPS and water contact angle. Higher surface segregation was noted for functional groups located at the chain end as opposed to those in the middle of the chain. A self-consistent mean-field lattice theory was used to model the composition depth profiles of functional groups and excellent agreement was found between the model predictions and the experimental AMPS data in both chain architectures. Polymer properties are also in general dependent on both time and temperature, and exhibit a range of relaxation times in response to environmental stimuli. This behavior arises from the characteristic frequencies of molecular motions of the polymer chain and the interrelationship between time and temperature has been widely established for polymer bulk properties. There is evidence that surface properties also respond in a manner that is time and temperature dependent and that this dependence may not be the same as that observed for bulk properties. AMPS and water contact angle experiments were used to investigate the surface reorganization behavior of functional groups using a series of anionically synthesized end-fluorinated and end-carboxylated poly(styrene). It was found that both types of functional end-groups reorganized upon a change in the polarity of the surface environment in order to minimize the surface free energy. ADXPS and contact angle results suggest that the reorganization depth was

Realization of N-Type Semiconducting of Phosphorene through Surface Metal Doping and Work Function Study

Directory of Open Access Journals (Sweden)

Haocheng Sun

2018-01-01

Full Text Available Phosphorene becomes an important member of the layered nanomaterials since its discovery for the fabrication of nanodevices. In the experiments, pristine phosphorene shows p-type semiconducting with no exception. To reach its full capability, n-type semiconducting is a necessity. Here, we report the electronic structure engineering of phosphorene by surface metal atom doping. Five metal elements, Cu, Ag, Au, Li, and Na, have been considered which could form stable adsorption on phosphorene. These elements show patterns in their electron configuration with one valence electron in their outermost s-orbital. Among three group 11 elements, Cu can induce n-type degenerate semiconducting, while Ag and Au can only introduce localized impurity states. The distinct ability of Cu, compared to Ag and Au, is mainly attributed to the electronegativity. Cu has smaller electronegativity and thus denotes its electron to phosphorene, upshifting the Fermi level towards conduction band, resulting in n-type semiconducting. Ag and Au have larger electronegativity and hardly transfer electrons to phosphorene. Parallel studies of Li and Na doping support these findings. In addition, Cu doping effectively regulates the work function of phosphorene, which gradually decreases upon increasing Cu concentration. It is also interesting that Au can hardly change the work function of phosphorene.

Local work function analysis of Pt/TiO2 photocatalyst by a Kelvin probe force microscope

International Nuclear Information System (INIS)

Hiehata, K; Sasahara, A; Onishi, H

2007-01-01

Nanometre-sized Pt clusters were prepared on a TiO 2 (110)-(1 x 1) surface, and the lateral distribution of work function was examined by using a Kelvin probe force microscope. Local work function on the Pt clusters was smaller than that on the surrounding TiO 2 surface. Assuming that the dipole moments which perturb the work function are produced by uneven electron distribution, the decrease of the work function indicates electron transfer from the clusters to the TiO 2 surface. After decomposition of pivalate anions on the surfaces by UV irradiation, the work function increased on some Pt clusters. It is known that holes photoexcited in TiO 2 attach to pivalate anions to cause a decomposition reaction. Hence the increase of the observed work function by UV irradiation can be ascribed to the trapping of the accompanying electrons to the Pt clusters

Tribocharging in electrostatic beneficiation of coal: Effects of surface composition on work function as measured by x-ray photoelectron spectroscopy and ultraviolet photoelectron spectroscopy in air

International Nuclear Information System (INIS)

Trigwell, S.; Mazumder, M.K.; Pellissier, R.

2001-01-01

The cleaning of coal by electrostatic beneficiation is based on tribocharging characteristics of pulverized coal particles with diameter smaller than 120 μm. The tribocharging process should be such that the organic coal particles must charge with a polarity opposite to that of the sulfur and the mineral containing particles so that coal can be separated from minerals by using a charge separator. However, the charge distribution of electrostatically separated coal particles indicates that coal exhibits bipolar charging. A significant fraction of the coal particles charges negatively which appears to be in conflict with expectations in that the organic coal particles should charge positively, and the mineral particles, present as impurities such as pyrite, charge negatively when tribocharged against copper. The relative work functions of the particles (coal and mineral) and that of the metal surface (copper or stainless steel) used for tribocharging predict these expected results. However, ultraviolet photoelectron spectroscopy (UPS) measurements in air on specimens of three different coal species, showed the work function to be approximately 5.4 eV, which is higher than a reported measured work function of 3.93 eV. Studies by UPS and x-ray photoelectron spectroscopy on copper, stainless steel, aluminum, and other commonly used tribocharging materials such as nylon and polytetrafluorethylene, as well as pure pyrite, showed that the work function varied considerably as a function of surface composition. Therefore, the reason for the bipolar charging of the coal particles may be the too small differences in work functions between coal powder and copper used as the charging material. The choice of a material for impaction triboelectric charging for coal or mineral separation should therefore depend upon the actual work function as modified by the ambient conditions such as moisture content and the oxidation of the surface

Development of the work function monitoring method for a converter of a negative ion source

International Nuclear Information System (INIS)

Yamaoka, Hitoshi; Sasao, Mamiko; Wada, Motoi; Ramos, H.J.

1988-07-01

A method to monitor the change in the work function of the converter surface in a self-extraction negative ion source is developed. The photoelectron emission from the Cs-Mo surface in a plasma is detected by irradiating surface with laser lights. Negative ions produced at the surface shows a strong correlation with the photoelectron current from the surface in hydrogen and helium discharges. The photoelectron current induced by the Ar + laser is used to detect the change in the cesium coverage, or the work function, while that by the dye laser is found to be suitable to confirm the region of the work function minimum. (author)

The electronic work function of the different faces of tungsten

International Nuclear Information System (INIS)

Modinos, A.

1978-01-01

A semi-empirical theory of the electronic work function of the different faces of tungsten is presented. All the parameters entering the theory, except one, are estimated independently. The one adjustable parameter relates to the isotropic contribution to the work function, and, can, in principle, be determined from a self-consistent calculation of the band-structure of the energy levels in the bulk of the metal. The calculated values for the work function are in reasonably good agreement with available experimental data for practically all of the crystallographic planes with the exception of the (100) plane. For the latter, the calculated value is 0.3 eV above the experimental value. It is suggested that a negative contribution to the surface dipole potential from surface states, that exist on this plane, may be the reason of this discrepancy. (Auth.)

Effects of surface condition on the work function and valence-band position of ZnSnN2

Science.gov (United States)

Shing, Amanda M.; Tolstova, Yulia; Lewis, Nathan S.; Atwater, Harry A.

2017-12-01

ZnSnN2 is an emerging wide band gap earth-abundant semiconductor with potential applications in photonic devices such as solar cells, LEDs, and optical sensors. We report the characterization by ultraviolet photoelectron spectroscopy and X-ray photoelectron spectroscopy of reactively radio-frequency sputtered II-IV-nitride ZnSnN2 thin films. For samples transferred in high vacuum, the ZnSnN2 surface work function was 4.0 ± 0.1 eV below the vacuum level, with a valence-band onset of 1.2 ± 0.1 eV below the Fermi level. The resulting band diagram indicates that the degenerate bulk Fermi level position in ZnSnN2 shifts to mid-gap at the surface due to band bending that results from equilibration with delocalized surface states within the gap. Brief (< 10 s) exposures to air, a nitrogen-plasma treatment, or argon-ion sputtering caused significant chemical changes at the surface, both in surface composition and interfacial energetics. The relative band positioning of the n-type semiconductor against standard redox potentials indicated that ZnSnN2 has an appropriate energy band alignment for use as a photoanode to effect the oxygen-evolution reaction.

Study on surface defect structures of ZrO2 and some doped ZrO2 by means of work function measurement

International Nuclear Information System (INIS)

Yamawaki, M.; Suzuki, A.; Ono, F.; Yamaguchi, K.

1997-01-01

The work function change of the ZrO 2 +2%Y 2 O 3 sintered pellet, caused by a change of the composition of the sweep gas, was measured using a high temperature Kelvin probe. The Pt reference electrode was calibrated by using ZrO 2 +2%Y 2 O 3 as a standard material. Work function changes of undoped ZrO 2 and Nb-doped ZrO 2 (2%Nb 2 O 5 ) were measured as a function of equilibrium oxygen partial pressure, P O 2 . The thus obtained exponents of P O 2 , 1/n, were 1/6.2 and 1/33.6 for ZrO 2 and ZrO 2 +2%Nb 2 O 5 , respectively. These exponent values were discussed in terms of defect chemistry of the surface layer. (orig.)

Change of the work function and potential barrier transparency of W(100) and GaAs(110) single crystals during removing the inherent surface oxide layer

International Nuclear Information System (INIS)

Asalkhanov, Yu.I.; Saneev, Eh.L.

2002-01-01

Changes of current voltage characteristics of slow monoenergetic electron beam through the surfaces of W(100) and GaAs(100) single crystals have been measured in the process of surface oxide layers elimination. It is shown that work function is decreased and transparency coefficient of surface potential barrier is increased under increasing the temperature of vacuum annealing. Peculiarities of surface potential change under oxide layer elimination in metals and semiconductors are discussed [ru

Photoelectric work function studies of carbonaceous films containing Ni nanocrystals

International Nuclear Information System (INIS)

Czerwosz, E.; Dluzewski, P.; Kutner, T.; Stacewicz, T.

2003-01-01

In this paper we present the results of photoelectric work function measurements for carbonaceous films containing Ni nanocrystals. The investigated films were obtained by thermal vacuum deposition method. The structure of films was studied by electron diffraction, transmission microscopy and Raman spectroscopy. Film structure depends on Ni contents in the film volume. Work function determined from photoelectric measurements for all investigated films are similar and lie in the range of 2.65-2.93 eV. The decrease of work function value with the cleaning of the film's surface with UV pulsed laser beam was observed

Electronic structure of low work function electrodes modified by C{sub 16}H{sub 33}SH

Energy Technology Data Exchange (ETDEWEB)

Lee, Hyunbok [Department of Polymer Science and Engineering, University of Massachusetts, Amherst, MA, 01003 (United States); Cho, Sang Wan, E-mail: dio8027@yonsei.ac.kr [Department of Physics, Yonsei University, 1 Yonseidae-gil, Wonju-si, Gangwon-do, 220-710 (Korea, Republic of); Park, Sang Han; Cho, Mann-Ho; Yi, Yeonjin [Institute of Physics and Applied Physics, Yonsei University, 50 Yonsei-ro, Seodaemoon-Gu, Seoul, 120-749 (Korea, Republic of)

2014-10-15

Highlights: • The electronic structure of pentacene/C{sub 16}H{sub 33}SH/Au is investigated. • The work function of Au is significantly decreased with C{sub 16}H{sub 33}SH treatment. • The reduced work function is attributed to its permanent dipole moment. - Abstract: Organic and printed electronics technologies require electrodes with low work functions to facilitate the transport of electrons in and out of various optoelectronic devices. We show that the surface modifier of 1-hexadecanethiol reduces the work function of conductors using in situ ultraviolet photoemission spectroscopy, and we combine experimental and theoretical methods to investigate the origin of the work function changes. The interfacial electronic structures of pentacene/1-hexadecanethiol/Au were investigated via in situ ultraviolet photoemission spectroscopy and X-ray photoemission spectroscopy in order to understand the change in the carrier injection barrier and chemical reactions upon surface modification. Theoretical calculations using density functional theory were also performed to understand the charge distribution of 1-hexadecanethiol, which affects the reduction of the work function. The 1-hexadecanethiol surface modifier is processed in air from solution, providing an appealing alternative to chemically-reactive low-work-function metals.

Lung function studies before and after a work shift

Energy Technology Data Exchange (ETDEWEB)

Love, R G

1983-05-01

The lung function of 23 underground coal workers and eight surface workers at a Scottish colliery was measured immediately before and after a work shift. Changes in lung function were assessed in relation to the measured respirable dust exposure and the time of day in which the shift was worked. Large, and statistically significant, decrements of lung function during the shift were found in night-shift workers compared with workers on other shifts. Measurements derived from the forced expiratory manoeuvre, particularly FEV1, Vmax50, and Vmax25, after three vital capacity breaths of an 80% He/20% O2 mixture, showed large reductions in night-shift men, smaller reductions in afternoon-shift men, and small increases or decreases in morning-shift underground and surface workers. Within-shift changes for other tests, such as closing volume, N2 index, and volume of isoflow, did not differ significantly between shifts. No significant relationship was found between dust exposure and functional changes during a shift for any test. Lung function changes in a control group of 25 female workers not exposed to dust (hospital nurses) did not show the same large variations between day and night shifts. Examination of a further control group of 16 office workers did not show any difference in diurnal changes between smokers and non-smokers. It is concluded that these coal miners, even on permanent shift patterns, had widely different changes in their lung function cycle depending on which shift they were working. These changes did not appear to be related to dust exposure or cigarette smoking and were not consistent with other biological adaptations known to result from regular night-shift working.

The effect of work function changes on secondary ion energy spectra

International Nuclear Information System (INIS)

Wittmaack, K.

1983-01-01

The effect of work function changes on experimental secondary ion energy spectra is discussed. In agreement with theory the measured ion intensities frequently exhibit an exponential work function dependence. However, the predicted velocity dependence is only observed at fairly high secondary ion energies. In the absence of a velocity dependence of the degree of ionization measured shifts of energy spectra reflect work function changes directly. Various instrumental problems are shown to aggravate a detailed comparison between experiment and theory. Significant artefacts must be expected if the extraction field is of the order of or less than the lateral field induced by a work function difference between the bombarded spot and the surrounding sample surface. (Auth.)

Self-consistent Green’s-function technique for surfaces and interfaces

DEFF Research Database (Denmark)

Skriver, Hans Lomholt; Rosengaard, N. M.

1991-01-01

We have implemented an efficient self-consistent Green’s-function technique for calculating ground-state properties of surfaces and interfaces, based on the linear-muffin-tin-orbitals method within the tight-binding representation. In this approach the interlayer interaction is extremely short...... ranged, and only a few layers close to the interface need be treated self-consistently via a Dyson equation. For semi-infinite jellium, the technique gives work functions and surface energies that are in excellent agreement with earlier calculations. For the bcc(110) surface of the alkali metals, we find...

Lewis basicity, adhesion thermodynamic work and coordinating ability on aminated silicon surfaces

International Nuclear Information System (INIS)

Sánchez, M. Alejandra; Paniagua, Sergio A.; Borge, Ignacio; Viales, Christian; Montero, Mavis L.

2014-01-01

Highlights: • Silicon(1 0 0) surfaces with diamines followed by anchoring of copper complexes over the diamine layer, an approach that could be used for advanced functionalization of semiconducting surfaces. • Lewis basicity (using Fowkes–van Oss–Chaudhury–Good surface tension model) and adhesion thermodynamic work (using chemical force microscopy) were determined. • Higher basicity and thermodynamic work correlate with selective copper acetate monolayer grow. The cyclic voltammetry studies confirm the confined copper redox activity. - Abstract: Silicon(1 0 0) surfaces have been modified with three different amines (aniline, benzylamine and dodecylamine) and diamines (4-aminopyridine, 4-aminomethylpyridine, 1,12-dodecyldiamine). The surface energy was measured by contact angle technique. For Si-diamine surfaces, Lewis basicity (using Fowkes–van Oss–Chaudhury–Good surface tension model) and adhesion thermodynamic work (using chemical force microscopy) were determined. We related these data, the amine/diamine nature and their geometry on the surface (via DFT calculations) with the consequent ability to coordinate copper(II) acetate. Finally, copper(II) acetate monolayers behavior was studied by cyclic voltammetry

Surface structure and properties of functionalized nanodiamonds: a first-principles study

International Nuclear Information System (INIS)

Datta, Aditi; Kirca, Mesut; Fu Yao; To, Albert C

2011-01-01

The goal of this work is to gain fundamental understanding of the surface and internal structure of functionalized detonation nanodiamonds (NDs) using quantum mechanics based density functional theory (DFT) calculations. The unique structure of ND assists in the binding of different functional groups to its surface which in turn facilitates binding with drug molecules. The ability to comprehensively model the surface properties, as well as drug-ND interactions during functionalization, is a challenge and is the problem of our interest. First, the structure of NDs of technologically relevant size (∼5 nm) was optimized using classical mechanics based molecular mechanics simulations. Quantum mechanics based density functional theory (DFT) was then employed to analyse the properties of smaller relevant parts of the optimized cluster further to address the effect of functionalization on the stability of the cluster and reactivity at its surface. It is found that functionalization is preferred over reconstruction at the (100) surface and promotes graphitization in the (111) surface for NDs functionalized with the carbonyl oxygen (C = O) group. It is also seen that the edges of ND are the preferred sites for functionalization with the carboxyl group (-COOH) vis-a-vis the corners of ND.

Surface structure and properties of functionalized nanodiamonds: a first-principles study

Energy Technology Data Exchange (ETDEWEB)

Datta, Aditi; Kirca, Mesut; Fu Yao; To, Albert C, E-mail: albertto@pitt.edu [Department of Mechanical Engineering and Materials Science and Department of Civil and Environmental Engineering, University of Pittsburgh, Pittsburgh, PA 15261 (United States)

2011-02-11

The goal of this work is to gain fundamental understanding of the surface and internal structure of functionalized detonation nanodiamonds (NDs) using quantum mechanics based density functional theory (DFT) calculations. The unique structure of ND assists in the binding of different functional groups to its surface which in turn facilitates binding with drug molecules. The ability to comprehensively model the surface properties, as well as drug-ND interactions during functionalization, is a challenge and is the problem of our interest. First, the structure of NDs of technologically relevant size ({approx}5 nm) was optimized using classical mechanics based molecular mechanics simulations. Quantum mechanics based density functional theory (DFT) was then employed to analyse the properties of smaller relevant parts of the optimized cluster further to address the effect of functionalization on the stability of the cluster and reactivity at its surface. It is found that functionalization is preferred over reconstruction at the (100) surface and promotes graphitization in the (111) surface for NDs functionalized with the carbonyl oxygen (C = O) group. It is also seen that the edges of ND are the preferred sites for functionalization with the carboxyl group (-COOH) vis-a-vis the corners of ND.

Minimal models on Riemann surfaces: The partition functions

International Nuclear Information System (INIS)

Foda, O.

1990-01-01

The Coulomb gas representation of the A n series of c=1-6/[m(m+1)], m≥3, minimal models is extended to compact Riemann surfaces of genus g>1. An integral representation of the partition functions, for any m and g is obtained as the difference of two gaussian correlation functions of a background charge, (background charge on sphere) x (1-g), and screening charges integrated over the surface. The coupling constant x (compacitification radius) 2 of the gaussian expressions are, as on the torus, m(m+1), and m/(m+1). The partition functions obtained are modular invariant, have the correct conformal anomaly and - restricting the propagation of states to a single handle - one can verify explicitly the decoupling of the null states. On the other hand, they are given in terms of coupled surface integrals, and it remains to show how they degenerate consistently to those on lower-genus surfaces. In this work, this is clear only at the lattice level, where no screening charges appear. (orig.)

Minimal models on Riemann surfaces: The partition functions

Energy Technology Data Exchange (ETDEWEB)

Foda, O. (Katholieke Univ. Nijmegen (Netherlands). Inst. voor Theoretische Fysica)

1990-06-04

The Coulomb gas representation of the A{sub n} series of c=1-6/(m(m+1)), m{ge}3, minimal models is extended to compact Riemann surfaces of genus g>1. An integral representation of the partition functions, for any m and g is obtained as the difference of two gaussian correlation functions of a background charge, (background charge on sphere) x (1-g), and screening charges integrated over the surface. The coupling constant x (compacitification radius){sup 2} of the gaussian expressions are, as on the torus, m(m+1), and m/(m+1). The partition functions obtained are modular invariant, have the correct conformal anomaly and - restricting the propagation of states to a single handle - one can verify explicitly the decoupling of the null states. On the other hand, they are given in terms of coupled surface integrals, and it remains to show how they degenerate consistently to those on lower-genus surfaces. In this work, this is clear only at the lattice level, where no screening charges appear. (orig.).

Influence of uranium dioxide nonstoichiometric oxygen on the work function of Mo(110) single crystal

International Nuclear Information System (INIS)

Bekmukhabetov, E.S.; Dzhajmurzin, A.A.; Imanbekov, Zh.Zh.

1985-01-01

The influence of the uranium dioxide nonstoichiometric oxygen on the work function of a Mo(110) single crystal has been studied. When the surface diffusion of oxygen on the tested surface takes place, the work function is shown to decrease and, subsequently, to increase until it becomes stable. The dependence of the work function on the temperature of the specimen in the range of 1600-1900 K with a minimum at 1730 K has been found. The minimum is attributed to the dipole layer formation

Dependence of Au- production upon the target work function in a plasma-sputter-type negative ion source

International Nuclear Information System (INIS)

Okabe, Yushirou; Sasao, Mamiko; Fujita, Junji; Yamaoka, Hitoshi; Wada, Motoi.

1991-01-01

A method to measure the work function of the target surface in a plasma-sputter-type negative ion source has been developed. The method can determine the work function by measuring the photoelectric current induced by two lasers (He-Ne, Ar + laser). The dependence of Au - production upon the work function of the target surface in the ion source was studied using this method. The time variation of the target work function and Au - production rate were measured during the cesium coverage decrease due to the plasma ion sputtering. The observed minimum work function of a cesiated gold surface in an Ar plasma was 1.3 eV. At the same time, the negative ion production rate (Au - current/target current) took the maximum value. The negative ion production rate indicated the same dependence on the incident ion energy as that of the sputtering rate when the work function was constant. (author)

Systems and methods for producing low work function electrodes

Science.gov (United States)

Kippelen, Bernard; Fuentes-Hernandez, Canek; Zhou, Yinhua; Kahn, Antoine; Meyer, Jens; Shim, Jae Won; Marder, Seth R.

2015-07-07

According to an exemplary embodiment of the invention, systems and methods are provided for producing low work function electrodes. According to an exemplary embodiment, a method is provided for reducing a work function of an electrode. The method includes applying, to at least a portion of the electrode, a solution comprising a Lewis basic oligomer or polymer; and based at least in part on applying the solution, forming an ultra-thin layer on a surface of the electrode, wherein the ultra-thin layer reduces the work function associated with the electrode by greater than 0.5 eV. According to another exemplary embodiment of the invention, a device is provided. The device includes a semiconductor; at least one electrode disposed adjacent to the semiconductor and configured to transport electrons in or out of the semiconductor.

Surface functionalization of dopamine coated iron oxide nanoparticles for various surface functionalities

Energy Technology Data Exchange (ETDEWEB)

Sherwood, Jennifer; Xu, Yaolin; Lovas, Kira [Chemical and Biological Engineering, The University of Alabama, Tuscaloosa , AL 35487 (United States); Qin, Ying [Alabama Innovation and Mentoring of Entrepreneurs, The University of Alabama, Tuscaloosa, AL 35487 (United States); Bao, Yuping, E-mail: ybao@eng.ua.edu [Chemical and Biological Engineering, The University of Alabama, Tuscaloosa , AL 35487 (United States)

2017-04-01

We present effective conjugation of four small molecules (glutathione, cysteine, lysine, and Tris(hydroxymethyl)aminomethane) onto dopamine-coated iron oxide nanoparticles. Conjugation of these molecules could improve the surface functionality of nanoparticles for more neutral surface charge at physiological pH and potentially reduce non-specific adsorption of proteins to nanoparticles surfaces. The success of conjugation was evaluated with dynamic light scattering by measuring the surface charge changes and Fourier transform infrared spectroscopy for surface chemistry analysis. The stability of dopamine-coated nanoparticles and the ability of conjugated nanoparticles to reduce the formation of protein corona were evaluated by measuring the size and charge of the nanoparticles in biological medium. This facile conjugation method opens up possibilities for attaching various surface functionalities onto iron oxide nanoparticle surfaces for biomedical applications.

Surface functionalization of dopamine coated iron oxide nanoparticles for various surface functionalities

International Nuclear Information System (INIS)

Sherwood, Jennifer; Xu, Yaolin; Lovas, Kira; Qin, Ying; Bao, Yuping

2017-01-01

We present effective conjugation of four small molecules (glutathione, cysteine, lysine, and Tris(hydroxymethyl)aminomethane) onto dopamine-coated iron oxide nanoparticles. Conjugation of these molecules could improve the surface functionality of nanoparticles for more neutral surface charge at physiological pH and potentially reduce non-specific adsorption of proteins to nanoparticles surfaces. The success of conjugation was evaluated with dynamic light scattering by measuring the surface charge changes and Fourier transform infrared spectroscopy for surface chemistry analysis. The stability of dopamine-coated nanoparticles and the ability of conjugated nanoparticles to reduce the formation of protein corona were evaluated by measuring the size and charge of the nanoparticles in biological medium. This facile conjugation method opens up possibilities for attaching various surface functionalities onto iron oxide nanoparticle surfaces for biomedical applications.

METHODS FOR LOCAL CHANGES IN THE PLASTIC DEFORMATION DIAGNOSTICS ON THE WORK FUNCTION

Directory of Open Access Journals (Sweden)

K. V. Panteleyev

2015-01-01

Full Text Available The paper describes the electronic work function measurements by the contact potential difference technique, and experimental demonstration of the possibility of these methods application for the stress-strain state of the surface layer of the metals and alloys. The techniques end examples of their application of localization of plastic deformation studies using the Kelvin probe are developed and present. The study topology of work function the deformed surface possible to determine the type of deformation and dynamics of

Work function reduction by a redox-active organometallic sandwich complex

KAUST Repository

Hyla, Alexander; Winget, Paul; Li, Hong; Risko, Chad; Bredas, Jean-Luc

2016-01-01

We have investigated, at the density functional theory level, the geometric and electronic structures of the pentamethyliridocene (IrCpCp*) monomer and dimer adsorbed on the Au(111) and indium tin oxide (ITO) (222) surfaces, as well as their impact on the work functions. Our calculations show that the adsorption of a monomer lowers the work function of ITO(222) by 1.2 eV and Au(111) by 1.2–1.3 eV. The main origin for this reduction is the formation of an interface dipole between the monomer and the substrate via charge transfer. Dimer adsorption as well as adsorption of possible byproducts formed from dimer bond-cleavage in solution, show a lesser ability to lower the work function. © 2016 Elsevier B.V.

Work function reduction by a redox-active organometallic sandwich complex

KAUST Repository

Hyla, Alexander

2016-07-14

We have investigated, at the density functional theory level, the geometric and electronic structures of the pentamethyliridocene (IrCpCp*) monomer and dimer adsorbed on the Au(111) and indium tin oxide (ITO) (222) surfaces, as well as their impact on the work functions. Our calculations show that the adsorption of a monomer lowers the work function of ITO(222) by 1.2 eV and Au(111) by 1.2–1.3 eV. The main origin for this reduction is the formation of an interface dipole between the monomer and the substrate via charge transfer. Dimer adsorption as well as adsorption of possible byproducts formed from dimer bond-cleavage in solution, show a lesser ability to lower the work function. © 2016 Elsevier B.V.

Work function of oxygen exposed lead and lead/indium alloy films

International Nuclear Information System (INIS)

Gundlach, K.H.; Hellemann, H.P.; Hoelzl, J.

1982-01-01

The effect of indium in superconducting tunnel junctions with lead/indium alloy base electrodes is investigated by measuring the vacuum work function of lead, indium, and lead/indium alloy films. It is found that the anomalous decrease of the work function of lead upon exposure to oxygen, explained by the penetration of oxygen into the inner surface of the lead film, is reversed into a slight increase in work function when some indium is added to the lead. This result indicates that the addition of indium provides a protection by suppressing the penetration of oxygen (and probably other gases) into the interior of the thin film

Amorphous transparent conducting oxides in context: Work function survey, trends, and facile modification

Science.gov (United States)

Yeh, T. C.; Zhu, Q.; Buchholz, D. B.; Martinson, A. B.; Chang, R. P. H.; Mason, T. O.

2015-03-01

The work functions of various amorphous and crystalline transparent conducting oxides (TCOs) were measured using Kelvin probe. The films, made by pulsed laser deposition, exhibited varying work functions dependent on the composition and deposition parameters. Tin oxide showed the largest work functions of the oxides measured, while zinc oxide showed the lowest. Binary and ternary combinations of the basis TCOs showed intermediate work functions dependent on the endpoint components. Amorphous TCOs, important in OPV and other technological applications, exhibited similar work functions to their crystalline counterparts. UV/ozone treatment of TCOs temporarily increased the work function, consistent with proposed defect mechanisms associated with near-surface changes in carrier content and Fermi level. Finally, a method for facile adjustment of the work function of commercial TCOs by atomic layer deposition (ALD) capping layers was presented, illustrated by the growth of zinc oxide layers on commercial crystalline ITO films.

Covalent Surface Functionalization of Boron Nitride Nanotubes Fabricated with Diazonium Salt

Directory of Open Access Journals (Sweden)

Zhujun Wang

2018-01-01

Full Text Available The chemical inertness and poor wetting properties of boron nitride nanotubes (BNNTs hindered their applications. In this work, BNNTs have been functionalized with aniline groups by reacting with diazonium salt and the graft content of aniline component was calculated as high as 71.4 wt.%. The chemical structure, composition, and morphology of functionalized BNNTs were carefully characterized to illustrate the modification. The anilinocarbocation generated by decomposition of diazonium salt reacted not only with NH2 sites, but also with B-OH sites on the surface of BNNTs. Meanwhile, the reaction applied a hot strong acid environment, which would help to open parts of B-N bonds to produce more reactive sites and enrich the functional groups grafted on the surface of BNNTs. Consequently, the functionalized BNNTs exhibited significantly improved dispersion stability in chloroform compared with pristine BNNTs. Amino surface functionalization of BNNTs offered more possibilities for surface chemical design of boron nitride and its practical application.

Silver nanoprisms self-assembly on differently functionalized silica surface

International Nuclear Information System (INIS)

Pilipavicius, J; Chodosovskaja, A; Beganskiene, A; Kareiva, A

2015-01-01

In this work colloidal silica/silver nanoprisms (NPRs) composite coatings were made. Firstly colloidal silica sols were synthesized by sol-gel method and produced coatings on glass by dip-coating technique. Next coatings were silanized by (3-Aminopropyl)triethoxysilane (APTES), N-[3-(Trimethoxysilyl)propyl]ethylenediamine (AEAPTMS), (3- Mercaptopropyl)trimethoxysilane (MPTMS). Silver NPRs where synthesized via seed-mediated method and high yield of 94±15 nm average edge length silver NPRs were obtained with surface plasmon resonance peak at 921 nm. Silica-Silver NPRs composite coatings obtained by selfassembly on silica coated-functionalized surface. In order to find the most appropriate silanization way for Silver NPRs self-assembly, the composite coatings were characterized by scanning electron microscopy (SEM), dynamic light scattering (DLS), water contact angle (CA) and surface free energy (SFE) methods. Results have showed that surface functionalization is necessary to achieve self-assembled Ag NPRs layer. MPTMS silanized coatings resulted sparse distribution of Ag NPRs. Most homogeneous, even distribution composite coatings obtained on APTES functionalized silica coatings, while AEAPTMS induced strong aggregation of Silver NPRs

PREFACE Surface Modifications and Functionalization of Materials for Biomedical Applications

Science.gov (United States)

Endrino, Jose Luis; Puértolas, Jose A.; Albella, Jose M.

2010-11-01

Conference photograph This special issue contains selected papers which were presented as invited and contributed communications at the workshop entitled 'Surface modification and functionalization of materials for biomedical applications' (BIO-COAT 2010) which was held on 24 June 2010 in Zaragoza (Spain). The surface of a material plays a major role in its interaction with the biological medium. Processes related to the mechanical stability of articular devices in contact, osseointegration, thrombogenicity, corrosion and leaching, or the inflammatory response of rejection of a material, are clearly conditioned by the surface properties. Therefore, the modification or functionalization of surfaces can have an important impact on these issues. New techniques for functionalization by thin film deposition or surface treatments help to improve superficial properties, while understanding the interaction of the surface-biological medium is critical for their application in new devices. Jointly organized by the Spanish Materials Research Society, BIO-COAT 2010 provided an open forum to discuss the progress and latest developments in thin film processing and the engineering of biomaterials. Invited lectures were particularly aimed at providing overviews on scientific topics and were given by recognized world-class scientists. Two of them have contributed with a proceedings article to this selected collection (articles 012001 and 012008). The contributed communications were focused on particular cutting-edge aspects of thin film science and functionalization technologies for biomaterials, showing the major scientific push of Spanish research groups in the field. The 2010 BIO-COAT conference was organized along four main topics: (1) functionalization and texture on surfaces, (2) tribology and corrosion, (3) the surface modification of biomaterials, and (4) surface-biological environment interactions. The papers published in this volume were accepted for publication after

Bioinspired Functional Surfaces for Technological Applications

Science.gov (United States)

Sharma, Vipul; Kumar, Suneel; Reddy, Kumbam Lingeshwar; Bahuguna, Ashish; Krishnan, Venkata

2016-08-01

Biological matters have been in continuous encounter with extreme environmental conditions leading to their evolution over millions of years. The fittest have survived through continuous evolution, an ongoing process. Biological surfaces are the important active interfaces between biological matters and the environment, and have been evolving over time to a higher state of intelligent functionality. Bioinspired surfaces with special functionalities have grabbed attention in materials research in the recent times. The microstructures and mechanisms behind these functional biological surfaces with interesting properties have inspired scientists to create artificial materials and surfaces which possess the properties equivalent to their counterparts. In this review, we have described the interplay between unique multiscale (micro- and nano-scale) structures of biological surfaces with intrinsic material properties which have inspired researchers to achieve the desired wettability and functionalities. Inspired by naturally occurring surfaces, researchers have designed and fabricated novel interfacial materials with versatile functionalities and wettability, such as superantiwetting surfaces (superhydrophobic and superoleophobic), omniphobic, switching wettability and water collecting surfaces. These strategies collectively enable functional surfaces to be utilized in different applications such as fog harvesting, surface-enhanced Raman spectroscopy (SERS), catalysis, sensing and biological applications. This paper delivers a critical review of such inspiring biological surfaces and artificial bioinspired surfaces utilized in different applications, where material science and engineering have merged by taking inspiration from the natural systems.

Stable functionalization of germanium surface and its application in biomolecules immobilization

Energy Technology Data Exchange (ETDEWEB)

Cai, Qi [State Key Laboratory of Transducer Technology, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, No.865, Changning Road, Shanghai 200050 (China); University of Chinese Academy of Sciences, No.19A, Yuquan Road, Beijing 100049 (China); Xu, Baojian [State Key Laboratory of Transducer Technology, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, No.865, Changning Road, Shanghai 200050 (China); Ye, Lin [Sate Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, No.865, Changning Road, Shanghai 200050 (China); University of Chinese Academy of Sciences, No.19A, Yuquan Road, Beijing 100049 (China); Tang, Teng; Huang, Shanluo; Du, Xiaowei [State Key Laboratory of Transducer Technology, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, No.865, Changning Road, Shanghai 200050 (China); University of Chinese Academy of Sciences, No.19A, Yuquan Road, Beijing 100049 (China); Bian, Xiaojun; Zhang, Jishen [State Key Laboratory of Transducer Technology, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, No.865, Changning Road, Shanghai 200050 (China); Di, Zengfeng, E-mail: zfdi@mail.sim.ac.cn [Sate Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, No.865, Changning Road, Shanghai 200050 (China); Jin, Qinghui [State Key Laboratory of Transducer Technology, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, No.865, Changning Road, Shanghai 200050 (China); Zhao, Jianlong, E-mail: jlzhao@mail.sim.ac.cn [State Key Laboratory of Transducer Technology, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, No.865, Changning Road, Shanghai 200050 (China)

2014-10-15

Highlights: • An effective method to immobilize biomolecules on the functionalized Ge surface. • The surface of Ge was functionalized with 11-Mercaptoundecanoic acid (11-MUA). • Stable and uniform SAMs was obtained on Ge surface after 11-MUA treatment. • The functionalized Ge was employed as substrate for protein immobilization. • Paving the way of Ge for further applications in bioelectronics field. - Abstract: As a typical semiconductor material, germanium (Ge) has the potential to be utilized in microelectronics and bioelectronics. Herein, we present a simple and effective method to immobilize biomolecules on the surface of functionalized Ge. The surface oxide of Ge was removed with the pretreatment of hydrochloric acid and the Cl-terminated Ge reacted with 11-Mercaptoundecanoic acid (11-MUA). The surface of Ge was coated with 11-MUA self-assembled monolayers (SAMs) due to the bonding reaction between the sulfhydryl group of 11-MUA and Cl-terminated Ge. Furthermore, typical biomolecule, a green fluorescent protein was chosen to be immobilized on the surface of the functionalized Ge. Contact angle analysis, atomic force microscopy and X-ray photoelectron spectroscopy were used to study the characteristics including wettability, stability, roughness and component of the functionalized Ge, respectively. Fluorescence microscopy was utilized to indicate the efficiency of protein immobilization on the surface of the functionalized Ge. With these studies, stable and uniform functionalized monolayer was obtained on the surface of Ge after 11-MUA treatment and the functionalized Ge was effectively applied in protein immobilization. Furthermore, this study may pave the way for further applications such as the integration of bioelectronics and biosensors with the attractive semiconductor material-Ge in future work.

Anisotropy of electron work function and reticular compacting of friable faces of metallic crystals

International Nuclear Information System (INIS)

Vladimirov, A.F.

1999-01-01

The review and statistical estimate of experimental data on work functions for BCC-, FCC- and HCP - metals (W, Mo, Ta, Nb, Cr, V, Ni, Y) as well as the earlier developed quantum-mechanical statistical model of double electrical layer formation at metal surface and the calculation of an electron work function dipole constituent serve as a basis for the development of a semi-empirical theory of electron work function anisotropy. A coefficient of reticular compacting of friable crystal faces is introduced and statistically estimated. A coefficient of crystal emission anisotropy is also introduced and estimated both theoretically and empirically. The theory permits calculating work functions for all crystal faces and a volumetric constituent of the work function from the measured value of electron work function for a single face [ru

Surface computing and collaborative analysis work

CERN Document Server

Brown, Judith; Gossage, Stevenson; Hack, Chris

2013-01-01

Large surface computing devices (wall-mounted or tabletop) with touch interfaces and their application to collaborative data analysis, an increasingly important and prevalent activity, is the primary topic of this book. Our goals are to outline the fundamentals of surface computing (a still maturing technology), review relevant work on collaborative data analysis, describe frameworks for understanding collaborative processes, and provide a better understanding of the opportunities for research and development. We describe surfaces as display technologies with which people can interact directly, and emphasize how interaction design changes when designing for large surfaces. We review efforts to use large displays, surfaces or mixed display environments to enable collaborative analytic activity. Collaborative analysis is important in many domains, but to provide concrete examples and a specific focus, we frequently consider analysis work in the security domain, and in particular the challenges security personne...

Grafting of functionalized polymer on porous silicon surface using Grignard reagent

Science.gov (United States)

Tighilt, F.-Z.; Belhousse, S.; Sam, S.; Hamdani, K.; Lasmi, K.; Chazalviel, J. N.; Gabouze, N.

2017-11-01

Recently, considerable attention has been paid to the manipulation and the control of the physicochemical properties of porous silicon surfaces because of their crucial importance to the modern microelectronics industry. Hybrid structures consisting of deposited polymer on porous silicon surfaces are important to applications in microelectronics, photovoltaics and sensors (Ensafi et al., 2016; Kashyout et al., 2015; Osorio et al.; 2015; Hejjo et al., 2002) [1-4]. In many cases, the polymer can provide excellent mechanical and chemical protection of the substrate, changes the electrochemical interface characteristics of the substrate, and provides new ways to the functionalization of porous silicon surfaces for molecular recognition and sensing. In this work, porous silicon surface was modified by anodic treatment in ethynylmagnesium bromide electrolyte leading to the formation of a polymeric layer bearing some bromine substituents. Subsequently, the formed polymer is functionalized with amine molecules containing functional groups (carboxylic acid or pyridine) by a substitution reaction between bromine sites and amine groups (Hofmann reaction). The chemical composition of the modified porous silicon surfaces was investigated and the grafting of polymeric chains and functional groups on the porous silicon surface was confirmed by Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS) which displayed the principal characteristic peaks attributed to the different functional groups. Furthermore, the surface of the material was examined by scanning electron microscopy (SEM).

Surface modification and functionalization of carbon nanotube with some organic compounds

International Nuclear Information System (INIS)

Le, Van Thu; Ngo, Cao Long; Le, Quoc Trung; Ngo, Trinh Tung; Nguyen, Duc Nghia; Vu, Minh Thanh

2013-01-01

In this work the surface modification and functionalization of carbon nanotubes (CNTs) were investigated. CNTs were firstly treated by acid mixture H 2 SO 4 /HNO 3 to introduce the carboxylic group onto the surface of CNTs. This carboxylic group was used as reaction precursor in the functionalization. Two functional groups, dodecylamine (DDA) and 3-aminopropyl triethoxysilane (3-APTES), were successfully covalently attached to CNTs. The functionalized CNTs were characterized by Fourier transform infrared (FTIR) spectroscopy, Raman spectroscopy, differential scanning calorimetry and thermal gravimetric analysis (DSC/TGA) and transmission electron microscopy (TEM) methods. The CNTs attached to the organofunctional moieties have greater versatility for further utilization in different application fields such as biology, nanocomposites, solar energy, etc. (paper)

Bioinspired surface functionalization of metallic biomaterials.

Science.gov (United States)

Su, Yingchao; Luo, Cheng; Zhang, Zhihui; Hermawan, Hendra; Zhu, Donghui; Huang, Jubin; Liang, Yunhong; Li, Guangyu; Ren, Luquan

2018-01-01

Metallic biomaterials are widely used for clinical applications because of their excellent mechanical properties and good durability. In order to provide essential biofunctionalities, surface functionalization is of particular interest and requirement in the development of high-performance metallic implants. Inspired by the functional surface of natural biological systems, many new designs and conceptions have recently emerged to create multifunctional surfaces with great potential for biomedical applications. This review firstly introduces the metallic biomaterials, important surface properties, and then elaborates some strategies on achieving the bioinspired surface functionalization for metallic biomaterials. Copyright © 2017 Elsevier Ltd. All rights reserved.

Facile Doping and Work-Function Modification of Few-Layer Graphene Using Molecular Oxidants and Reductants

KAUST Repository

Mansour, Ahmed; Said, Marcel M.; Dey, Sukumar; Hu, Hanlin; Zhang, Siyuan; Munir, Rahim; Zhang, Yadong; Moudgil, Karttikay; Barlow, Stephen; Marder, Seth R.; Amassian, Aram

2017-01-01

Doping of graphene is a viable route toward enhancing its electrical conductivity and modulating its work function for a wide range of technological applications. In this work, the authors demonstrate facile, solution-based, noncovalent surface doping of few-layer graphene (FLG) using a series of molecular metal-organic and organic species of varying n- and p-type doping strengths. In doing so, the authors tune the electronic, optical, and transport properties of FLG. The authors modulate the work function of graphene over a range of 2.4 eV (from 2.9 to 5.3 eV)-unprecedented for solution-based doping-via surface electron transfer. A substantial improvement of the conductivity of FLG is attributed to increasing carrier density, slightly offset by a minor reduction of mobility via Coulomb scattering. The mobility of single layer graphene has been reported to decrease significantly more via similar surface doping than FLG, which has the ability to screen buried layers. The dopant dosage influences the properties of FLG and reveals an optimal window of dopant coverage for the best transport properties, wherein dopant molecules aggregate into small and isolated clusters on the surface of FLG. This study shows how soluble molecular dopants can easily and effectively tune the work function and improve the optoelectronic properties of graphene.

Facile Doping and Work-Function Modification of Few-Layer Graphene Using Molecular Oxidants and Reductants

KAUST Repository

Mansour, Ahmed

2017-01-03

Doping of graphene is a viable route toward enhancing its electrical conductivity and modulating its work function for a wide range of technological applications. In this work, the authors demonstrate facile, solution-based, noncovalent surface doping of few-layer graphene (FLG) using a series of molecular metal-organic and organic species of varying n- and p-type doping strengths. In doing so, the authors tune the electronic, optical, and transport properties of FLG. The authors modulate the work function of graphene over a range of 2.4 eV (from 2.9 to 5.3 eV)-unprecedented for solution-based doping-via surface electron transfer. A substantial improvement of the conductivity of FLG is attributed to increasing carrier density, slightly offset by a minor reduction of mobility via Coulomb scattering. The mobility of single layer graphene has been reported to decrease significantly more via similar surface doping than FLG, which has the ability to screen buried layers. The dopant dosage influences the properties of FLG and reveals an optimal window of dopant coverage for the best transport properties, wherein dopant molecules aggregate into small and isolated clusters on the surface of FLG. This study shows how soluble molecular dopants can easily and effectively tune the work function and improve the optoelectronic properties of graphene.

Surface dimpling on rotating work piece using rotation cutting tool

Science.gov (United States)

Bhapkar, Rohit Arun; Larsen, Eric Richard

2015-03-31

A combined method of machining and applying a surface texture to a work piece and a tool assembly that is capable of machining and applying a surface texture to a work piece are disclosed. The disclosed method includes machining portions of an outer or inner surface of a work piece. The method also includes rotating the work piece in front of a rotating cutting tool and engaging the outer surface of the work piece with the rotating cutting tool to cut dimples in the outer surface of the work piece. The disclosed tool assembly includes a rotating cutting tool coupled to an end of a rotational machining device, such as a lathe. The same tool assembly can be used to both machine the work piece and apply a surface texture to the work piece without unloading the work piece from the tool assembly.

Orthogonal functionalization of nanoporous substrates: control of 3D surface functionality.

Science.gov (United States)

Lazzara, Thomas D; Kliesch, Torben-Tobias; Janshoff, Andreas; Steinem, Claudia

2011-04-01

Anodic aluminum oxide (AAO) membranes with aligned, cylindrical, nonintersecting pores were selectively functionalized in order to create dual-functionality substrates with different pore-rim and pore-interior surface functionalities, using silane chemistry. We used a two-step process involving an evaporated thin gold film to protect the underlying surface functionality of the pore rims. Subsequent treatment with oxygen plasma of the modified AAO membrane removed the unprotected organic functional groups, i.e., the pore-interior surface. After gold removal, the substrate became optically transparent, and displayed two distinct surface functionalities, one at the pore-rim surface and another at the pore-interior surface. We achieved a selective hydrophobic functionalization with dodecyl-trichlorosilane of either the pore rims or the pore interiors. The deposition of planar lipid membranes on the functionalized areas by addition of small unilamellar vesicles occurred in a predetermined fashion. Small unilamellar vesicles only ruptured upon contact with the hydrophobic substrate regions forming solid supported hybrid bilayers. In addition, pore-rim functionalization with dodecyl-trichlorosilane allowed the formation of pore-spanning hybrid lipid membranes as a result of giant unilamellar vesicle rupture. Confocal laser scanning microscopy was employed to identify the selective spatial localization of the adsorbed fluorescently labeled lipids. The corresponding increase in the AAO refractive index due to lipid adsorption on the hydrophobic regions was monitored by optical waveguide spectroscopy. This simple orthogonal functionalization route is a promising method to control the three-dimensional surface functionality of nanoporous films. © 2011 American Chemical Society

Gelatin Functionalization of Biomaterial Surfaces: Strategies for Immobilization and Visualization

Directory of Open Access Journals (Sweden)

Peter Dubruel

2011-01-01

Full Text Available In the present work, the immobilization of gelatin as biopolymer on two types of implantable biomaterials, polyimide and titanium, was compared. Both materials are known for their biocompatibility while lacking cell-interactive behavior. For both materials, a pre-functionalization step was required to enable gelatin immobilization. For the polyimide foils, a reactive succinimidyl ester was introduced first on the surface, followed by covalent grafting of gelatin. For the titanium material, methacrylate groups were first introduced on the Ti surface through a silanization reaction. The applied functionalities enabled the subsequent immobilization of methacrylamide modified gelatin. Both surface modified materials were characterized in depth using atomic force microscopy, static contact angle measurements, confocal fluorescence microscopy, attenuated total reflection infrared spectroscopy and X-ray photo-electron spectroscopy. The results indicated that the strategies elaborated for both material classes are suitable to apply stable gelatin coatings. Interestingly, depending on the material class studied, not all surface analysis techniques are applicable.

Work function dependence and isotope effect in the production of negative hydrogen ions during sputtering of adsorbed hydrogen on Cs covered Mo(100) surfaces

International Nuclear Information System (INIS)

Yu, M.L.

1977-01-01

The enhancement of the H - yield, during sputtering of adsorbed hydrogen on a Mo(100) surface, by a Cs overlayer was investigated. An exponential dependence of the H - yield on the work function was observed for a wide range of Cs coverages. A simple electron tunneling model was proposed. A large reduction in the ion yield was also observed when D 2 replaced H 2 as the adsorbate

Work-Function and Surface Energy Tunable Cyanoacrylic Acid Small-Molecule Derivative Interlayer on Planar ZnO Nanorods for Improved Organic Photovoltaic Performance.

Science.gov (United States)

Ambade, Swapnil B; Ambade, Rohan B; Bagde, Sushil S; Lee, Soo-Hyoung

2016-12-28

The issue of work-function and surface energy is fundamental to "decode" the critical inorganic/organic interface in hybrid organic photovoltaics, which influences important photovoltaic events like exciton dissociation, charge transfer, photocurrent (J sc ), open-circuit voltage (V oc ), etc. We demonstrate that by incorporating an interlayer of cyanoacrylic acid small molecular layer (SML) on solution-processed, spin-coated, planar ZnO nanorods (P-ZnO NRs), higher photovoltaic (PV) performances were achieved in both inverted organic photovoltaic (iOPV) and hybrid organic photovoltaic (HOPV) devices, where ZnO acts as an "electron-transporting layer" and as an "electron acceptor", respectively. For the tuned range of surface energy from 52.5 to 33 mN/m, the power conversion efficiency (PCE) in bulk heterojunction (BHJ) iOPVs based on poly(3-hexylthiophene) (P3HT) and phenyl-C 60 -butyric acid methyl ester (PC 60 BM) increases from 3.16% to 3.68%, and that based on poly[4,8-bis(5-(2-ethylhexyl)thiophen-2-yl)benzo[1,2-b;4,5b']dithiophene-2,6-diyl-alt-(4-(2-ethylhexyl)-3-fluorothieno[3,4-b]thiophene)-2-carboxylate-2-6-diyl)] (PTB7:Th):[6,6]-phenyl C 71 butyric acid methyl ester (PC 71 BM) photoactive BHJ increases from 6.55% to 8.0%, respectively. The improved PV performance in iOPV devices is majorly attributed to enhanced photocurrents achieved as a result of reduced surface energy and greater electron affinity from the covalent attachment of the strong electron-withdrawing cyano moiety, while that in HOPV devices, where PCE increases from 0.21% to 0.79% for SML-modified devices, is ascribed to a large increase in V oc benefitted due to reduced work function effected from the presence of strong dipole moment in SML that points away from P-ZnO NRs.

The orthogonal gradients method: A radial basis functions method for solving partial differential equations on arbitrary surfaces

KAUST Repository

Piret, Cé cile

2012-01-01

Much work has been done on reconstructing arbitrary surfaces using the radial basis function (RBF) method, but one can hardly find any work done on the use of RBFs to solve partial differential equations (PDEs) on arbitrary surfaces. In this paper

Functionalization of Block Copolymer Vesicle Surfaces

Directory of Open Access Journals (Sweden)

Wolfgang Meier

2011-01-01

Full Text Available In dilute aqueous solutions certain amphiphilic block copolymers self-assemble into vesicles that enclose a small pool of water with a membrane. Such polymersomes have promising applications ranging from targeted drug-delivery devices, to biosensors, and nanoreactors. Interactions between block copolymer membranes and their surroundings are important factors that determine their potential biomedical applications. Such interactions are influenced predominantly by the membrane surface. We review methods to functionalize block copolymer vesicle surfaces by chemical means with ligands such as antibodies, adhesion moieties, enzymes, carbohydrates and fluorophores. Furthermore, surface-functionalization can be achieved by self-assembly of polymers that carry ligands at their chain ends or in their hydrophilic blocks. While this review focuses on the strategies to functionalize vesicle surfaces, the applications realized by, and envisioned for, such functional polymersomes are also highlighted.

Bio-inspired functional surfaces for advanced applications

DEFF Research Database (Denmark)

Malshe, Ajay; Rajurkar, Kamlakar; Samant, Anoop

2013-01-01

, are being evolved to a higher state of intelligent functionality. These surfaces became more efficient by using combinations of available materials, along with unique physical and chemical strategies. Noteworthy physical strategies include features such as texturing and structure, and chemical strategies...... such as sensing and actuation. These strategies collectively enable functional surfaces to deliver extraordinary adhesion, hydrophobicity, multispectral response, energy scavenging, thermal regulation, antibiofouling, and other advanced functions. Production industries have been intrigued with such biological...... surface strategies in order to learn clever surface architectures and implement those architectures to impart advanced functionalities into manufactured consumer products. This keynote paper delivers a critical review of such inspiring biological surfaces and their nonbiological product analogs, where...

The role of iridium in the work-function behavior of dilute-solution tungsten, iridium alloys

International Nuclear Information System (INIS)

D'Cruz, L.A.

1991-01-01

Requirements of thermionic electrode materials have emphasized the need for substantial improvements in microstructural stability, strength and creep resistance at service temperatures in excess of 2,500K. This study utilized both chemical alloying and mechanical alloying procedures for the addition of iridium to submicron W powder followed by cold compaction and sintering. The shrinkage characteristics and microstructural development were studied in iridium-added tungsten compacts with a range of additive levels. An electron-emission study was subsequently carried out in order to evaluate the work-function behavior of the consolidated alloys. The work function was obtained from current-emission measurements from the electrode surface under UHV conditions in the temperature range of 1,800 to 2,500K using a Vacuum Emission Vehicle (VEV). The data show that the magnitude of the work function in these alloys varied with temperature and was sensitive to sub-surface iridium content

Impurity composition effect on work function in cylindrical specimens of niobium and low zirconium niobium base alloys

International Nuclear Information System (INIS)

Kobyakov, V.P.

2000-01-01

A study is made into poly- and single crystal cylindrical niobium specimens, prepared by various methods as well as into polycrystalline specimens of niobium base alloys doped with 1.2 and 1.6 % Zr. Thermionic work function is measured using a full current method. Several techniques are applied to determine the content of substitutional and interstitial impurities in specimens. The phase composition of polished section surface is also investigated. A work function increase is observed when a considerable amount of carbide phases occurs at the surface. This increase is comparable with the effect of going from a polycrystalline niobium specimen to a single crystal with (110) surface orientation [ru

The effect of the adsorbate layer on the work function reduction of gold substrates under external electric fields

Science.gov (United States)

He, Xiang; Cheng, Feng; Chen, Zhao-Xu

2017-12-01

The interface interaction between the dimethyl sulfide (DMS) molecule and the gold substrate under external electric fields is investigated by density functional theory method. The polarized DMS adsorbate reduces the work function of the gold substrate while the induced substrate dipole upon the adsorption slightly increases the work function. The DMS layer partially shields the Au(111) substrate from the electric fields and the vacuum level of DMS/Au(111) shifts less than of Au(111) in consequence. Under electric fields pointing outward from the Au(111) surface, both the reduction of work function and the adsorption of DMS molecule are enhanced on the surface. We also suggest the possible application of the field-effect transistor (FET) sensor with gold gate for detecting DMS molecule by utilizing the reduction of substrate work function upon adsorption. The effects of coverage and electric field on the theoretical sensitivity of the sensor are also discussed.

Overview on the Surface Functionalization Mechanism and Determination of Surface Functional Groups of Plasma Treated Carbon Nanotubes.

Science.gov (United States)

Saka, Cafer

2018-01-02

The use of carbon materials for many applications is due to the unique diversity of structures and properties ranging from chemical bonds between the carbon atoms of the materials to nanostructures, crystallite alignment, and microstructures. Carbon nanotubes and other nanoscale carbonaceous materials draw much attention due to their physical and chemical properties, such as high strength, high resistance to corrosion, electrical and thermal conductivity, stability and a qualified adsorbent. Carbon-based nanomaterials, which have a relatively large specific area and layered structure, can be used as an adsorbent for efficient removal of organic and inorganic contaminants. However, one of the biggest obstacles to the development of carbon-based nanomaterials adsorbents is insolubility and the lack of functional groups on the surface. There are several approaches to introduce functional groups on carbon nanotubes. One of these approaches, plasma applications, now has an important place in the creation of surface functional groups as a flexible, fast, and environmentally friendly method. This review focuses on recent information concerning the surface functionalization and modification of plasma treated carbon nanotube. This review considers the surface properties, advantages, and disadvantages of plasma-applied carbon nanotubes. It also examines the reaction mechanisms involved in the functional groups on the surface.

Antimicrobial and Antifouling Polymeric Agents for Surface Functionalization of Medical Implants.

Science.gov (United States)

Zeng, Qiang; Zhu, Yiwen; Yu, Bingran; Sun, Yujie; Ding, Xiaokang; Xu, Chen; Wu, Yu-Wei; Tang, Zhihui; Xu, Fu-Jian

2018-05-09

Combating implant-associated infections is an urgent demand due to the increasing numbers in surgical operations such as joint replacements and dental implantations. Surface functionalization of implantable medical devices with polymeric antimicrobial and antifouling agents is an efficient strategy to prevent bacterial fouling and associated infections. In this work, antimicrobial and antifouling branched polymeric agents (GPEG and GEG) were synthesized via ring-opening reaction involving gentamicin and ethylene glycol species. Due to their rich primary amine groups, they can be readily coated on the polydopamine-modified implant (such as titanium) surfaces. The resultant surface coatings of Ti-GPEG and Ti-GEG produce excellent in vitro antibacterial efficacy toward both Staphylococcus aureus and Escherichia coli, while Ti-GPEG exhibit better antifouling ability. Moreover, the infection model with S. aureus shows that implanted Ti-GPEG possessed excellent antibacterial and antifouling ability in vivo. This study would provide a promising strategy for the surface functionalization of implantable medical devices to prevent implant-associated infections.

Response functions for crystals and surfaces, with applications to surface scattering

International Nuclear Information System (INIS)

Barker, J.A.; Steele, W.A.

1978-01-01

A general solution of the equations of forced motion of a harmonic crystal or other vibrating system with arbitrary time-dependent forces acting on the atoms is given. The solution is given in terms of dynamical 'response functions', for which expressions in terms of the normal mode frequencies and eigenvectors (polarization vectors) are given. Numerical calculations of the response functions are described for (111) and (100) surfaces of face-centered cubic crystals interacting with Lennard-Jones 6-12 potentials, and the qualitative features of the surface and bulk response functions are discussed. The use of these functions in problems of atomic scattering from surface is outlined, and convenient parametrized forms for this application are given. (Auth.)

Ion pressure and work function in an effusion experiment

International Nuclear Information System (INIS)

Nikitin, M.I.

1986-01-01

The relationship between ion flow and ion pressure is examined from the point of view of the existence of a plasma in an effusion chamber. It is shown that this relationship is nonlinear, and a method is described to calculate it for specific experimental conditions. An analysis is made of the dependence of ion pressure and the work function of the inside surface of the effusion chamber on the composition of the condensed or gas phase

Sensor for the working surface cleanliness definition in vacuum

Science.gov (United States)

Deulin, E. A.; Mashurov, S. S.; Gatsenko, A. A.

2016-07-01

Modern development of nanotechnology as one of the modern science priority directions is impossible to imagine without the use of vacuum systems and technologies. And the better the vacuum (lower the pressure), the “cleaner” we get a surface, which is very important for nanotechnology. Determination of the cleanliness of the surface or the amount of molecular layers of adsorbed gases on the working surface of the products especially in industry, where the cleanliness of the working surface is a key parameter of the technological process and has a significant influence on the output parameters of the final product is the main goal of this work.

Sensor for the working surface cleanliness definition in vacuum

International Nuclear Information System (INIS)

Deulin, E A; Mashurov, S S; Gatsenko, A A

2016-01-01

Modern development of nanotechnology as one of the modern science priority directions is impossible to imagine without the use of vacuum systems and technologies. And the better the vacuum (lower the pressure), the “cleaner” we get a surface, which is very important for nanotechnology. Determination of the cleanliness of the surface or the amount of molecular layers of adsorbed gases on the working surface of the products especially in industry, where the cleanliness of the working surface is a key parameter of the technological process and has a significant influence on the output parameters of the final product is the main goal of this work. (paper)

Vicinal surfaces for functional nanostructures.

Science.gov (United States)

Tegenkamp, Christoph

2009-01-07

Vicinal surfaces are currently the focus of research. The regular arrangements of atomic steps on a mesoscopic scale reveal the possibility to functionalize these surfaces for technical applications, e.g. nanowires, catalysts, etc. The steps of the vicinal surface are well-defined defect structures of atomic size for nucleation of low-dimensional nanostructures. The concentration and therefore the coupling between the nanostructures can be tuned over a wide range by simply changing the inclination angle of the substrate. However, the coupling of these nano-objects to the substrate is just as important in controlling their electronic or chemical properties and making a functionality useable. On the basis of stepped insulating films, these aspects are fulfilled and will be considered in the first part of this review. Recent results for the epitaxial growth of wide bandgap insulating films (CaF(2), MgO, NaCl, BaSrO) on metallic and semiconducting vicinal substrates (Si(100), Ge(100), Ag(100)) will be presented. The change of the electronic structure, the adsorption behavior as well as the kinetics and energetics of color centers in the presence of steps is discussed. The successful bridging of the gap between the atomic and mesoscopic world, i.e. the functionalization of vicinal surfaces by nanostructures, is demonstrated in the second part by metal adsorption on semiconducting surfaces. For (sub)monolayer coverage these systems have in common that the surface states do not hybridize with the support, i.e. the semiconducting surfaces are insulating. Here I will focus on the latest results of macroscopic transport measurements on Pb quantum wires grown on vicinal Si(111) showing indeed a one-dimensional transport behavior.

Vicinal surfaces for functional nanostructures

Energy Technology Data Exchange (ETDEWEB)

Tegenkamp, Christoph [Institut fuer Festkoerperphysik, Gottfried Wilhelm Leibniz Universitaet Hannover, Appelstrasse 2, D-30167 Hannover (Germany)], E-mail: tegenkamp@fkp.uni-hannover.de

2009-01-07

Vicinal surfaces are currently the focus of research. The regular arrangements of atomic steps on a mesoscopic scale reveal the possibility to functionalize these surfaces for technical applications, e.g. nanowires, catalysts, etc. The steps of the vicinal surface are well-defined defect structures of atomic size for nucleation of low-dimensional nanostructures. The concentration and therefore the coupling between the nanostructures can be tuned over a wide range by simply changing the inclination angle of the substrate. However, the coupling of these nano-objects to the substrate is just as important in controlling their electronic or chemical properties and making a functionality useable. On the basis of stepped insulating films, these aspects are fulfilled and will be considered in the first part of this review. Recent results for the epitaxial growth of wide bandgap insulating films (CaF{sub 2}, MgO, NaCl, BaSrO) on metallic and semiconducting vicinal substrates (Si(100), Ge(100), Ag(100)) will be presented. The change of the electronic structure, the adsorption behavior as well as the kinetics and energetics of color centers in the presence of steps is discussed. The successful bridging of the gap between the atomic and mesoscopic world, i.e. the functionalization of vicinal surfaces by nanostructures, is demonstrated in the second part by metal adsorption on semiconducting surfaces. For (sub)monolayer coverage these systems have in common that the surface states do not hybridize with the support, i.e. the semiconducting surfaces are insulating. Here I will focus on the latest results of macroscopic transport measurements on Pb quantum wires grown on vicinal Si(111) showing indeed a one-dimensional transport behavior. (topical review)

Vicinal surfaces for functional nanostructures

International Nuclear Information System (INIS)

Tegenkamp, Christoph

2009-01-01

Vicinal surfaces are currently the focus of research. The regular arrangements of atomic steps on a mesoscopic scale reveal the possibility to functionalize these surfaces for technical applications, e.g. nanowires, catalysts, etc. The steps of the vicinal surface are well-defined defect structures of atomic size for nucleation of low-dimensional nanostructures. The concentration and therefore the coupling between the nanostructures can be tuned over a wide range by simply changing the inclination angle of the substrate. However, the coupling of these nano-objects to the substrate is just as important in controlling their electronic or chemical properties and making a functionality useable. On the basis of stepped insulating films, these aspects are fulfilled and will be considered in the first part of this review. Recent results for the epitaxial growth of wide bandgap insulating films (CaF 2 , MgO, NaCl, BaSrO) on metallic and semiconducting vicinal substrates (Si(100), Ge(100), Ag(100)) will be presented. The change of the electronic structure, the adsorption behavior as well as the kinetics and energetics of color centers in the presence of steps is discussed. The successful bridging of the gap between the atomic and mesoscopic world, i.e. the functionalization of vicinal surfaces by nanostructures, is demonstrated in the second part by metal adsorption on semiconducting surfaces. For (sub)monolayer coverage these systems have in common that the surface states do not hybridize with the support, i.e. the semiconducting surfaces are insulating. Here I will focus on the latest results of macroscopic transport measurements on Pb quantum wires grown on vicinal Si(111) showing indeed a one-dimensional transport behavior. (topical review)

Fabrication and Measurement of Low Work Function Cesiated Dispenser Photocathodes

CERN Document Server

Moody, Nathan A; Jensen, Kevin

2005-01-01

Photoinjector performance is a limiting factor in the continued development of high powered FELs and electron beam-based accelerators. Presently available photocathodes are plagued with limited efficiency and short lifetime in an RF-gun environment, due to contamination or evaporation of a photosensitive surface layer. An ideal photocathode should have high efficiency at long wavelengths, long lifetime in practical vacuum environments, and prompt emission. Cathodes with high efficiency typically have limited lifetime, and vice versa, and the needs of the photocathode are generally at odds with those of the drive laser. A potential solution is the low work function dispenser cathode, where lifetime issues are overcome by periodic in situ regeneration that restores the photosensitive surface layer, analogous to those used in the microwave power tube industry. This work reports on the fabrication techniques and performance of cesiated metal photocathodes and cesiated dispenser cathodes, with a focus on understan...

Surface functional groups in capacitive deionization with porous carbon electrodes

Science.gov (United States)

Hemmatifar, Ali; Oyarzun, Diego I.; Palko, James W.; Hawks, Steven A.; Stadermann, Michael; Santiago, Juan G.; Stanford Microfluidics Lab Team; Lawrence Livermore National Lab Team

2017-11-01

Capacitive deionization (CDI) is a promising technology for removal of toxic ions and salt from water. In CDI, an applied potential of about 1 V to pairs of porous electrodes (e.g. activated carbon) induces ion electromigration and electrostatic adsorption at electrode surfaces. Immobile surface functional groups play a critical role in the type and capacity of ion adsorption, and this can dramatically change desalination performance. We here use models and experiments to study weak electrolyte surface groups which protonate and/or depropotante based on their acid/base dissociation constants and local pore pH. Net chemical surface charge and differential capacitance can thus vary during CDI operation. In this work, we present a CDI model based on weak electrolyte acid/base equilibria theory. Our model incorporates preferential cation (anion) adsorption for activated carbon with acidic (basic) surface groups. We validated our model with experiments on custom built CDI cells with a variety of functionalizations. To this end, we varied electrolyte pH and measured adsorption of individual anionic and cationic ions using inductively coupled plasma mass spectrometry (ICP-MS) and ion chromatography (IC) techniques. Our model shows good agreement with experiments and provides a framework useful in the design of CDI control schemes.

Ra and the average effective strain of surface asperities deformed in metal-working processes

DEFF Research Database (Denmark)

Bay, Niels; Wanheim, Tarras; Petersen, A. S

1975-01-01

Based upon a slip-line analysis of the plastic deformation of surface asperities, a theory is developed determining the Ra-value (c.l.a.) and the average effective strain in the surface layer when deforming asperities in metal-working processes. The ratio between Ra and Ra0, the Ra-value after...... and before deformation, is a function of the nominal normal pressure and the initial slope γ0 of the surface asperities. The last parameter does not influence Ra significantly. The average effective strain View the MathML sourcege in the deformed surface layer is a function of the nominal normal pressure...... and γ0. View the MathML sourcege is highly dependent on γ0, View the MathML sourcege increasing with increasing γ0. It is shown that the Ra-value and the strain are hardly affected by the normal pressure until interacting deformation of the asperities begins, that is until the limit of Amonton's law...

Self-consistent density functional calculation of the image potential at a metal surface

International Nuclear Information System (INIS)

Jung, J; Alvarellos, J E; Chacon, E; GarcIa-Gonzalez, P

2007-01-01

It is well known that the exchange-correlation (XC) potential at a metal surface has an image-like asymptotic behaviour given by -1/4(z-z 0 ), where z is the coordinate perpendicular to the surface. Using a suitable fully non-local functional prescription, we evaluate self-consistently the XC potential with the correct image behaviour for simple jellium surfaces in the range of metallic densities. This allows a proper comparison between the corresponding image-plane position, z 0 , and other related quantities such as the centroid of an induced charge by an external perturbation. As a by-product, we assess the routinely used local density approximation when evaluating electron density profiles, work functions, and surface energies by focusing on the XC effects included in the fully non-local description

Self-consistent density functional calculation of the image potential at a metal surface

Energy Technology Data Exchange (ETDEWEB)

Jung, J [Departamento de Fisica Fundamental, Universidad Nacional de Educacion a Distancia, Apartado 60141, 28080 Madrid (Spain); Alvarellos, J E [Departamento de Fisica Fundamental, Universidad Nacional de Educacion a Distancia, Apartado 60141, 28080 Madrid (Spain); Chacon, E [Instituto de Ciencias de Materiales de Madrid, Consejo Superior de Investigaciones CientIficas, E-28049 Madrid (Spain); GarcIa-Gonzalez, P [Departamento de Fisica Fundamental, Universidad Nacional de Educacion a Distancia, Apartado 60141, 28080 Madrid (Spain)

2007-07-04

It is well known that the exchange-correlation (XC) potential at a metal surface has an image-like asymptotic behaviour given by -1/4(z-z{sub 0}), where z is the coordinate perpendicular to the surface. Using a suitable fully non-local functional prescription, we evaluate self-consistently the XC potential with the correct image behaviour for simple jellium surfaces in the range of metallic densities. This allows a proper comparison between the corresponding image-plane position, z{sub 0}, and other related quantities such as the centroid of an induced charge by an external perturbation. As a by-product, we assess the routinely used local density approximation when evaluating electron density profiles, work functions, and surface energies by focusing on the XC effects included in the fully non-local description.

A short executive function training program improves preschoolers’ working memory

Directory of Open Access Journals (Sweden)

Emma eBlakey

2015-11-01

Full Text Available Cognitive training has been shown to improve executive functions in middle childhood and adulthood. However, fewer studies have targeted the preschool years – a time when executive functions undergo rapid development. The present study tested the effects of a short four session executive function training program in 54 four-year-olds. The training group significantly improved their working memory from pre-training relative to an active control group. Notably, this effect extended to a task sharing few surface features with the trained tasks, and continued to be apparent three months later. In addition, the benefits of training extended to a measure of mathematical reasoning three months later, indicating that training executive functions during the preschool years has the potential to convey benefits that are both long-lasting and wide-ranging.

Skin and surface lead contamination, hygiene programs, and work practices of bridge surface preparation and painting contractors.

Science.gov (United States)

Virji, M Abbas; Woskie, Susan R; Pepper, Lewis D

2009-02-01

A 2005 regulatory review of the lead in construction standard by the Occupational Safety and Health Administration (OSHA) noted that alternative pathways of exposure can be as significant as inhalation exposure and that noncompliance with the standard pertaining to hygiene facilities and practices was the second most commonly violated section of the standard. Noncompliance with provisions of the standard and unhealthy work and hygiene practices likely increase the likelihood of take-home lead via contaminated clothing, automobiles, and skin, thus contributing to elevated blood lead levels (BLL) among construction workers and their family members. We performed a cross-sectional study of bridge painters working for small contractors in Massachusetts to investigate causes of persistent elevated BLLs and to assess lead exposures. Thirteen work sites were evaluated for a 2-week period during which surface and skin wipe samples were collected and qualitative information was obtained on personal hygiene practices, decontamination and hand wash facilities, and respiratory protection programs. Results showed lead contamination on workers' skin, respirators, personal automobiles, and the decontamination unit, indicating a significant potential for take-home lead exposure. Overall, the geometric mean (GM) skin lead levels ranged from 373 microg on workers' faces at end of shift to 814 microg on hands at break time. The overall GM lead level inside respirators was 143 microg before work and 286 microg after work. Lead contamination was also present inside workers' personal vehicles as well as on surfaces inside the clean side of the decontamination unit. Review of the respiratory protection programs, work site decontamination and hand wash facilities, and personal hygiene practices indicated that these factors had significant impact on skin and surface contamination levels and identified significant opportunities for improving work site facilities and personal practices

Kramers-Kronig transform for the surface energy loss function

International Nuclear Information System (INIS)

Tan, G.L.; DeNoyer, L.K.; French, R.H.; Guittet, M.J.; Gautier-Soyer, M.

2005-01-01

A new pair of Kramers-Kronig (KK) dispersion relationships for the transformation of surface energy loss function Im[-1/(ε + 1)] has been proposed. The validity of the new surface KK transform is confirmed, using both a Lorentz oscillator model and the surface energy loss functions determined from the experimental complex dielectric function of SrTiO 3 and tungsten metal. The interband transition strength spectra (J cv ) have been derived either directly from the original complex dielectric function or from the derived dielectric function obtained from the KK transform of the surface energy loss function. The original J cv trace and post-J cv trace overlapped together for the three modes, indicating that the new surface Kramers-Kronig dispersion relationship is valid for the surface energy loss function

Strain Effect on Electronic Structure and Work Function in α-Fe2O3 Films

Directory of Open Access Journals (Sweden)

Li Chen

2017-03-01

Full Text Available We investigate the electronic structure and work function modulation of α-Fe2O3 films by strain based on the density functional method. We find that the band gap of clean α-Fe2O3 films is a function of the strain and is influenced significantly by the element termination on the surface. The px and py orbitals keep close to Fermi level and account for a pronounced narrowing band gap under compressive strain, while unoccupied dz2 orbitals from conduction band minimum draw nearer to Fermi level and are responsible for the pronounced narrowing band gap under tensile strain. The spin polarized surface state, arising from localized dangling-bond states, is insensitive to strain, while the bulk band, especially for pz orbital, arising from extended Bloch states, is very sensitive to strain, which plays an important role for work function decreasing (increasing under compressive (tensile strain in Fe termination films. In particular, the work function in O terminated films is insensitive to strain because pz orbitals are less sensitive to strain than that of Fe termination films. Our findings confirm that the strain is an effective means to manipulate electronic structures and corrosion potential.

Calculus on Surfaces with General Closest Point Functions

KAUST Repository

Mä rz, Thomas; Macdonald, Colin B.

2012-01-01

The closest point method for solving partial differential equations (PDEs) posed on surfaces was recently introduced by Ruuth and Merriman [J. Comput. Phys., 227 (2008), pp. 1943- 1961] and successfully applied to a variety of surface PDEs. In this paper we study the theoretical foundations of this method. The main idea is that surface differentials of a surface function can be replaced with Cartesian differentials of its closest point extension, i.e., its composition with a closest point function. We introduce a general class of these closest point functions (a subset of differentiable retractions), show that these are exactly the functions necessary to satisfy the above idea, and give a geometric characterization of this class. Finally, we construct some closest point functions and demonstrate their effectiveness numerically on surface PDEs. © 2012 Society for Industrial and Applied Mathematics.

Impaired work functioning due to common mental disorders in nurses and allied health professionals: the Nurses Work Functioning Questionnaire

NARCIS (Netherlands)

Gärtner, F. R.; Nieuwenhuijsen, K.; van Dijk, F. J. H.; Sluiter, J. K.

2012-01-01

Common mental disorders (CMD) negatively affect work functioning. In the health service sector not only the prevalence of CMDs is high, but work functioning problems are associated with a risk of serious consequences for patients and healthcare providers. If work functioning problems due to CMDs are

Extremely environment-hard and low work function transfer-mold field emitter arrays

Energy Technology Data Exchange (ETDEWEB)

Nakamoto, Masayuki, E-mail: m-nakamoto@rie.shizuoka.ac.jp [Research Institute of Electronics, Shizuoka University, 3-5-1 Johoku, Naka-ku, Hamamatsu, Shizuoka 432-8011 (Japan); Moon, Jonghyun [Research Institute of Electronics, Shizuoka University, 3-5-1 Johoku, Naka-ku, Hamamatsu, Shizuoka 432-8011 (Japan)

2013-06-15

Extremely environment-hard and low work function field-emitter arrays (FEAs) were fabricated by a transfer-mold emitter fabrication method to produce highly reliable vacuum nanoelectronic devices able to operate stably at low voltage in highly oxidizing atmospheres. Amorphous carbon (a-C) having a work function of 3.6 eV and sp{sup 3} fraction of 85.6% prepared by plasma-enhanced chemical vapor deposition was used as the emitter material. The field-emission characteristics of the obtained transfer-mold FEAs strongly depended on their work function and morphology. The environment-hard characteristics of the transfer-mold a-C FEAs were compared with those of the transfer-mold titanium nitride FEAs and nickel FEAs. X-ray photoelectron spectroscopy was used to confirm the stable chemical states of the FEAs after oxygen radical treatment. The small amount of material oxidized (6.3%) at the surface of the a-C FEAs compared with 11.8% for the TiN-FEAs and 39.0% for Ni FEAs after oxygen radical treatment explained their almost constant work function in oxidizing atmospheres. The emission fluctuation rates of transfer-mold a-C FEAs without resistive layers under in situ radical treatment were as low as ±5.0%, compared with 5–100% for conventional FEAs with resistive layers not under highly oxidizing atmospheres. Therefore, the present environment-hard and low work function transfer-mold a-C FEAs are expected to be useful for reliable vacuum nanoelectronic devices.

Surface analysis of gold nanoparticles functionalized with thiol-modified glucose SAMs for biosensor applications.

Directory of Open Access Journals (Sweden)

Valentina eSpampinato

2016-02-01

Full Text Available In this work, Time of Flight Secondary Ion Mass Spectrometry (ToF-SIMS, Principal Component Analysis (PCA and X-ray Photoelectron Spectroscopy (XPS have been used to characterize the surface chemistry of gold substrates before and after functionalization with thiol-modified glucose self-assembled monolayers and subsequent biochemical specific recognition of maltose binding protein (MBP.The results indicate that the surface functionalization is achieved both on flat and nanoparticles gold substrates thus showing the potential of the developed system as biodetection platform. Moreover, the method presented here has been found to be a sound and valid approach to characterize the surface chemistry of nanoparticles functionalized with large molecules.Both techniques were proved to be very useful tools for monitoring all the functionalization steps, including the investigation of the biological behaviour of the glucose-modified particles in presence of the maltose binding protein.

Impaired work functioning due to common mental disorders in nurses and allied health professionals: the Nurses Work Functioning Questionnaire.

Science.gov (United States)

Gärtner, F R; Nieuwenhuijsen, K; van Dijk, F J H; Sluiter, J K

2012-02-01

Common mental disorders (CMD) negatively affect work functioning. In the health service sector not only the prevalence of CMDs is high, but work functioning problems are associated with a risk of serious consequences for patients and healthcare providers. If work functioning problems due to CMDs are detected early, timely help can be provided. Therefore, the aim of this study is to develop a detection questionnaire for impaired work functioning due to CMDs in nurses and allied health professionals working in hospitals. First, an item pool was developed by a systematic literature study and five focus group interviews with employees and experts. To evaluate the content validity, additional interviews were held. Second, a cross-sectional assessment of the item pool in 314 nurses and allied health professionals was used for item selection and for identification and corroboration of subscales by explorative and confirmatory factor analysis. The study results in the Nurses Work Functioning Questionnaire (NWFQ), a 50-item self-report questionnaire consisting of seven subscales: cognitive aspects of task execution, impaired decision making, causing incidents at work, avoidance behavior, conflicts and irritations with colleagues, impaired contact with patients and their family, and lack of energy and motivation. The questionnaire has a proven high content validity. All subscales have good or acceptable internal consistency. The Nurses Work Functioning Questionnaire gives insight into precise and concrete aspects of impaired work functioning of nurses and allied health professionals. The scores can be used as a starting point for purposeful interventions.

Aryl Diazonium Chemistry for the Surface Functionalization of Glassy Biosensors.

Science.gov (United States)

Zheng, Wei; van den Hurk, Remko; Cao, Yong; Du, Rongbing; Sun, Xuejun; Wang, Yiyu; McDermott, Mark T; Evoy, Stephane

2016-03-14

Nanostring resonator and fiber-optics-based biosensors are of interest as they offer high sensitivity, real-time measurements and the ability to integrate with electronics. However, these devices are somewhat impaired by issues related to surface modification. Both nanostring resonators and photonic sensors employ glassy materials, which are incompatible with electrochemistry. A surface chemistry approach providing strong and stable adhesion to glassy surfaces is thus required. In this work, a diazonium salt induced aryl film grafting process is employed to modify a novel SiCN glassy material. Sandwich rabbit IgG binding assays are performed on the diazonium treated SiCN surfaces. Fluorescently labelled anti-rabbit IgG and anti-rabbit IgG conjugated gold nanoparticles were used as markers to demonstrate the absorption of anti-rabbit IgG and therefore verify the successful grafting of the aryl film. The results of the experiments support the effectiveness of diazonium chemistry for the surface functionalization of SiCN surfaces. This method is applicable to other types of glassy materials and potentially can be expanded to various nanomechanical and optical biosensors.

Aryl Diazonium Chemistry for the Surface Functionalization of Glassy Biosensors

Directory of Open Access Journals (Sweden)

Wei Zheng

2016-03-01

Full Text Available Nanostring resonator and fiber-optics-based biosensors are of interest as they offer high sensitivity, real-time measurements and the ability to integrate with electronics. However, these devices are somewhat impaired by issues related to surface modification. Both nanostring resonators and photonic sensors employ glassy materials, which are incompatible with electrochemistry. A surface chemistry approach providing strong and stable adhesion to glassy surfaces is thus required. In this work, a diazonium salt induced aryl film grafting process is employed to modify a novel SiCN glassy material. Sandwich rabbit IgG binding assays are performed on the diazonium treated SiCN surfaces. Fluorescently labelled anti-rabbit IgG and anti-rabbit IgG conjugated gold nanoparticles were used as markers to demonstrate the absorption of anti-rabbit IgG and therefore verify the successful grafting of the aryl film. The results of the experiments support the effectiveness of diazonium chemistry for the surface functionalization of SiCN surfaces. This method is applicable to other types of glassy materials and potentially can be expanded to various nanomechanical and optical biosensors.

Functionalization of polymer surfaces by medium frequency non-thermal plasma

Science.gov (United States)

Felix, T.; Trigueiro, J. S.; Bundaleski, N.; Teodoro, O. M. N. D.; Sério, S.; Debacher, N. A.

2018-01-01

This work addresses the surface modification of different polymers by argon dielectric barrier discharge, using bromoform vapours. Atomic Force Microscopy and Scanning Electron Microscopy showed that plasma etching occurs in stages and may be related to the reach of the species generated and obviously the gap between the electrodes. In addition, the stages of flatten surface or homogeneity may be the result of the transient crosslinking promoted by the intense UV radiation generated by the non- thermal plasma. X-ray Photoelectron Spectroscopy analysis showed that bromine was inserted on the polymer surface as Csbnd Br bonds and as adsorbed HBr. The obtained results demonstrate that the highest degree of bromofunctionalization was achieved on polypropylene surface, which contains about 8,5% of Br. After its derivatization in ammonia, Br disappeared and about 6% of nitrogen in the form of amine group was incorporated at the surface. This result can be considered as a clear fingerprint of the Br substitution by the amine group, thus illustrating the efficiency of the proposed method for functionalization of polymer surfaces.

Generation Mechanism of Work Hardened Surface Layer in Metal Cutting

Science.gov (United States)

Hikiji, Rikio; Kondo, Eiji; Kawagoishi, Norio; Arai, Minoru

Finish machining used to be carried out in grinding, but it is being replaced by cutting with very small undeformed chip thickness. In ultra precision process, the effects of the cutting conditions and the complicated factors on the machined surface integrity are the serious problems. In this research, work hardened surface layer was dealt with as an evaluation of the machined surface integrity and the effect of the mechanical factors on work hardening was investigated experimentally in orthogonal cutting. As a result, it was found that work hardened surface layer was affected not only by the shear angle varied under the cutting conditions and the thrust force of cutting resistance, but also by the thrust force acting point, the coefficient of the thrust force and the compressive stress equivalent to the bulk hardness. Furthermore, these mechanical factors acting on the depth of the work hardened surface layer were investigated with the calculation model.

Characterization of technical surfaces by structure function analysis

Science.gov (United States)

Kalms, Michael; Kreis, Thomas; Bergmann, Ralf B.

2018-03-01

The structure function is a tool for characterizing technical surfaces that exhibits a number of advantages over Fourierbased analysis methods. So it is optimally suited for analyzing the height distributions of surfaces measured by full-field non-contacting methods. The structure function is thus a useful method to extract global or local criteria like e. g. periodicities, waviness, lay, or roughness to analyze and evaluate technical surfaces. After the definition of line- and area-structure function and offering effective procedures for their calculation this paper presents examples using simulated and measured data of technical surfaces including aircraft parts.

Development of Biomimetic and Functionally Responsive Surfaces

Science.gov (United States)

Anastasiadis, Spiros H.

2010-03-01

Controlling the surface morphology of solids and manufacturing of functional surfaces with special responsive properties has been the subject of intense research. We report a methodology for creating multifunctionally responsive surfaces by irradiating silicon wafers with femtosecond laser pulses and subsequently coating them with different types of functional conformal coatings. Such surfaces exhibit controlled dual-scale roughness at the micro- and the nano-scale, which mimics the hierarchical morphology of water repellent natural surfaces. When a simple alkylsilane coating is utilized, highly water repellent surfaces are produced that quantitatively compare to those of the Lotus leaf. When a polymer brush is ``grafted from" these surfaces based on a pH-sensitive polymer, the surfaces can alter their behavior from super-hydrophilic (after immersion in a low pH buffer) to super-hydrophobic and water-repellent (following immersion to a high pH buffer). We quantify the water repellency of such responsive systems by drop elasticity measurements whereas we demonstrate that the water repellent state of such surface requires appropriate hydrophobicity of the functionalizing polymer. When a photo-responsive azobenzene-type polymer is deposited, a dynamic optical control of the wetting properties is obtained and the surface can be switched from super-hydrophilic (following UV irradiation) to hydrophobic (following green irradiation). In all the above cases we show that the principal effect of roughness is to cause amplification of the response to the different external stimuli.

Diamond surface functionalization with biomimicry – Amine surface tether and thiol moiety for electrochemical sensors

Energy Technology Data Exchange (ETDEWEB)

Sund, James B., E-mail: jim@jamessund.com [Department of Electrical and Computer Engineering, Duke University, Durham, NC (United States); Causey, Corey P. [Departments of Chemistry and Biochemistry, Duke University, Durham, NC (United States); Wolter, Scott D. [Department of Physics, Elon University, Elon, NC 27244 (United States); Parker, Charles B., E-mail: charles.parker@duke.edu [Department of Electrical and Computer Engineering, Duke University, Durham, NC (United States); Stoner, Brian R. [Department of Electrical and Computer Engineering, Duke University, Durham, NC (United States); Research Triangle Institute (RTI) International, Research Triangle Park, NC (United States); Toone, Eric J. [Departments of Chemistry and Biochemistry, Duke University, Durham, NC (United States); Glass, Jeffrey T. [Department of Electrical and Computer Engineering, Duke University, Durham, NC (United States)

2014-05-01

Highlights: • Diamond surfaces were functionalized with organic molecules using a novel approach. • Used biomimicry to select a molecule to bind NO, similar to the human body. • Molecular orbital theory predicted the molecule-analyte oxidation behavior. • A thiol moiety was attached to an amine surface tether on the diamond surface. • XPS analysis verified each surface functionalization step. - Abstract: The surface of conducting diamond was functionalized with a terminal thiol group that is capable of binding and detecting nitrogen–oxygen species. The functionalization process employed multiple steps starting with doped diamond films grown by plasma enhanced chemical vapor deposition followed by hydrogen termination and photochemical attachment of a chemically protected amine alkene. The surface tether was deprotected to reveal the amine functionality, which enabled the tether to be extended with surface chemistry to add a terminal thiol moiety for electrochemical sensing applications. Each step of the process was validated using X-ray photoelectron spectroscopy analysis.

Diamond surface functionalization with biomimicry – Amine surface tether and thiol moiety for electrochemical sensors

International Nuclear Information System (INIS)

Sund, James B.; Causey, Corey P.; Wolter, Scott D.; Parker, Charles B.; Stoner, Brian R.; Toone, Eric J.; Glass, Jeffrey T.

2014-01-01

Highlights: • Diamond surfaces were functionalized with organic molecules using a novel approach. • Used biomimicry to select a molecule to bind NO, similar to the human body. • Molecular orbital theory predicted the molecule-analyte oxidation behavior. • A thiol moiety was attached to an amine surface tether on the diamond surface. • XPS analysis verified each surface functionalization step. - Abstract: The surface of conducting diamond was functionalized with a terminal thiol group that is capable of binding and detecting nitrogen–oxygen species. The functionalization process employed multiple steps starting with doped diamond films grown by plasma enhanced chemical vapor deposition followed by hydrogen termination and photochemical attachment of a chemically protected amine alkene. The surface tether was deprotected to reveal the amine functionality, which enabled the tether to be extended with surface chemistry to add a terminal thiol moiety for electrochemical sensing applications. Each step of the process was validated using X-ray photoelectron spectroscopy analysis

Nanoparticle Surface Functionality Dictates Cellular and Systemic Toxicity

DEFF Research Database (Denmark)

Saei, Amir Ata; Yazdani, Mahdieh; Lohse, Samuel E.

2017-01-01

can greatly enhance subsequent therapeutic effects of NPs while diminishing their adverse side effects. In this review, we will focus on the effect of surface functionality on the cellular uptake and the transport of NPs by various subcellular processes.......Engineered nanoparticles (NPs) have opened new frontiers in therapeutics and diagnostics in recent years. The surface functionality of these nanoparticles often predominates their interactions with various biological components of human body, and proper selection or control of surface functionality...

Analysis of the phonon surface specific heat using Green function techniques

International Nuclear Information System (INIS)

Silva Carrico, A. da; Albuquerque, E.L. de

1981-01-01

Green functions are derived for the displacement associated with acoustic vibrations in isotropic elastic media and used to evaluate the surface specific heat in the harmonic approximation. Only the low-temperature limit case is considered since, provided K sub(B) T/h is very small, the dispersion relation for the three acoustic branches can be replaced by its long-wavelenght form. The contributions of surface elastic waves of the Rayleigh and Love types are pointed out and their features discussed. The nature of the result and their relations to previous work in this field is also presented and discussed. (Author) [pt

Analysis of the phonon surface specific heat using Green function techniques

International Nuclear Information System (INIS)

Carrico, A.S.; Albuquerque, E.L.

1980-01-01

Green functions are derived for the displacement associated with acoustic vibrations in isotropic elastic media and used to evaluate the surface specific heat in the harmonic approximation. We consider only the low-temperature limit case since, provided K B 1/h is very samll, we can replace the dispersion relation for the three acoustic branches by its long-wavelenghts form. The contributions of surface elastic waves ot the Rayleigh and Love types are pointed out and their features discussed. The nature of the result and their relations to previous work in this field is also presented and discussed. (author) [pt

Improving the Performance of Semiconductor Sensor Devices Using Surface Functionalization

Science.gov (United States)

Rohrbaugh, Nathaniel W.

As production and understanding of III-nitride growth has progressed, this class of material has been used for its semiconducting properties in the fields of computer processing, microelectronics, and LEDs. As understanding of materials properties has advanced, devices were fabricated to be sensitive to environmental surroundings such as pH, gas, or ionic concentration. Simultaneously the world of pharmaceuticals and environmental science has come to the age where the use of wearable devices and active environmental sensing can not only help us learn more about our surroundings, but help save lives. At the crossroads of these two fields work has been done in marrying the high stability and electrical properties of the III-nitrides with the needs of a growing sensor field for various environments and stimuli. Device architecture can only get one so far, and thus the need for well understood surface functionalization techniques has arisen in the field of III-nitride environmental sensing. Many existing schemes for functionalization involve chemistries that may be unfriendly to a biological environment, unstable in solution, or expensive to produce. One possible solution to these issues is the work presented here, which highlights a surface modification scheme utilizing phosphonic acid based chemistry and biomolecular attachment. This dissertation presents a set of studies and experiments quantifying and analyzing the response behaviors of AlGaN/GaN field effect transistor (FET) devices via their interfacial electronic properties. Additional investigation was done on the modification of these surfaces, effects of stressful environmental conditions, and the utility of the phosphonic acid surface treatments. Signals of AlGaN/GaN FETs were measured as IDrain values and in the earliest study an average signal increase of 96.43% was observed when surfaces were incubated in a solution of a known recognition peptide sequence (SVSVGMKPSPRP). This work showed that even without

Surface reactivity of Ge[111] for organic functionalization by means of a radical-initiated reaction: A DFT study

Energy Technology Data Exchange (ETDEWEB)

Rubio-Pereda, Pamela, E-mail: rubio.pereda@gmail.com [Centro de Investigación Científica y de Educación Superior de Ensenada 3918, Código Postal 22860, Ensenada, Baja California (Mexico); Takeuchi, Noboru, E-mail: takeuchi@cnyn.unam.mx [Centro de Nanociencias y Nanotecnología, Universidad Nacional Autónoma de México, Apartado Postal 14, Código Postal 22800, Ensenada, Baja California (Mexico)

2016-08-30

Highlights: • The surface reactivity of the Ge [111] surface is studied with DFT for the attachment of organic molecules by means of a radical-initiated reaction. • A hydrogen vacancy in the hydrogen terminated Ge [111] surface exhibits an accumulation of charge and electron pairing. • These characteristics make the hydrogen vacancy less reactive for the attachment of unsaturated organic molecules. • The adsorption of acetylene is probable to occur while the adsorption of ethylene and styrene is substantially less probable to occur. • The hydrogen terminated Ge [111] surface is found to be less reactive than its two-dimensional analogue, the hydrogen-terminated germanene. - Abstract: The study of interfacial chemistry at semiconductor surfaces has become an important area of research. Functionalities such as molecular recognition, biocompatibility of surfaces, and molecular computing, could be achieved by the combinations of organic chemistry with the semiconductor technology. One way to accomplish this goal is by means of organic functionalization of semiconductor surfaces such as the bulk-terminated germanium surfaces, more specifically the Ge[111]. In this work, we theoretically study, by applying density functional theory, the surface reactivity of the bulk-terminated Ge[111] surface for organic functionalization by means of a radical-initiated reaction of unsaturated molecules such as acetylene, ethylene and styrene with a hydrogen vacancy on a previously hydrogen-terminated Ge[111] surface. Results derived from this work are compared with those obtained in our previous calculations on the germanene surface, following the same chemical route. Our calculations show an accumulation of electronic charge at the H-vacancy having as a result electron pairing due to strong lattice-electron coupling and therefore a diminished surface reactivity. Calculation of the transition states for acetylene and ethylene indicates that the surface reactivity of the

SURFACE TEXTURE ANALYSIS FOR FUNCTIONALITY CONTROL

DEFF Research Database (Denmark)

De Chiffre, Leonardo; Andreasen, Jan Lasson; Tosello, Guido

This document is used in connection with three exercises of 3 hours duration as a part of the course VISION ONLINE – One week course on Precision & Nanometrology. The exercises concern surface texture analysis for functionality control, in connection with three different case stories. This docume...... contains a short description of each case story, 3-D roughness parameters analysis and relation with the product’s functionality.......This document is used in connection with three exercises of 3 hours duration as a part of the course VISION ONLINE – One week course on Precision & Nanometrology. The exercises concern surface texture analysis for functionality control, in connection with three different case stories. This document...

Engineering the work function of buckled boron α-sheet by lithium adsorption: a first-principles investigation.

Science.gov (United States)

Zheng, Bing; Yu, Hai-tao; Xie, Ying; Lian, Yong-fu

2014-11-26

First-principles density functional theory calculations were performed to study the effect of Li adsorption on the structural and electronic properties, particularly the work function, of boron α-sheet. The calculated binding energies indicated that boron α-sheet could be well stabilized by the adsorption of Li atoms. Furthermore, the work functions of Li-adsorbed boron α-sheets were observed to decrease drastically with increasing Li coverage. The work functions are lower than that of Mg and even, for some of them, lower than that of Ca, indicating a considerable potential application of Li-adsorbed boron α-sheets as field-emission and electrode materials. Based on the calculated geometric and electronic structures, we discuss in details some possible aspects affecting the work function. The Li coverage dependence of the work functions of Li-adsorbed boron α-sheets was further confirmed by electrostatic potential analyses. The relationship between the work function variation and the Fermi and vacuum energy level shifts was also discussed, and we observed that the variation of the work function is primarily associated with the shift of the Fermi energy level. It is the surface dipole formed by the interaction between adatoms and substrate that should be responsible for the observed variation of the work function, whereas the increasing negative charge and rumpling for boron α-sheet only play minor roles. Additionally, the effect of Li adatoms on the work function of boron α-sheet was confirmed to be much stronger than that of graphene or a graphene double layer.

Surface Functionalization of Thin-Film Composite Membranes with Copper Nanoparticles for Antimicrobial Surface Properties

KAUST Repository

Ben-Sasson, Moshe

2014-01-07

Biofouling is a major operational challenge in reverse osmosis (RO) desalination, motivating a search for improved biofouling control strategies. Copper, long known for its antibacterial activity and relatively low cost, is an attractive potential biocidal agent. In this paper, we present a method for loading copper nanoparticles (Cu-NPs) on the surface of a thin-film composite (TFC) polyamide RO membrane. Cu-NPs were synthesized using polyethyleneimine (PEI) as a capping agent, resulting in particles with an average radius of 34 nm and a copper content between 39 and 49 wt.%. The positive charge of the Cu-NPs imparted by the PEI allowed a simple electrostatic functionalization of the negatively charged RO membrane. We confirmed functionalization and irreversible binding of the Cu-NPs to the membrane surface with SEM and XPS after exposing the membrane to bath sonication. We also demonstrated that Cu-NP functionalization can be repeated after the Cu-NPs dissolve from the membrane surface. The Cu-NP functionalization had minimal impact on the intrinsic membrane transport parameters. Surface hydrophilicity and surface roughness were also maintained, and the membrane surface charge became positive after functionalization. The functionalized membrane exhibited significant antibacterial activity, leading to an 80-95% reduction in the number of attached live bacteria for three different model bacterial strains. Challenges associated with this functionalization method and its implementation in RO desalination are discussed. © 2013 American Chemical Society.

Surface Functionalization of Thin-Film Composite Membranes with Copper Nanoparticles for Antimicrobial Surface Properties

KAUST Repository

Ben-Sasson, Moshe; Zodrow, Katherine R.; Genggeng, Qi; Kang, Yan; Giannelis, Emmanuel P.; Elimelech, Menachem

2014-01-01

Biofouling is a major operational challenge in reverse osmosis (RO) desalination, motivating a search for improved biofouling control strategies. Copper, long known for its antibacterial activity and relatively low cost, is an attractive potential biocidal agent. In this paper, we present a method for loading copper nanoparticles (Cu-NPs) on the surface of a thin-film composite (TFC) polyamide RO membrane. Cu-NPs were synthesized using polyethyleneimine (PEI) as a capping agent, resulting in particles with an average radius of 34 nm and a copper content between 39 and 49 wt.%. The positive charge of the Cu-NPs imparted by the PEI allowed a simple electrostatic functionalization of the negatively charged RO membrane. We confirmed functionalization and irreversible binding of the Cu-NPs to the membrane surface with SEM and XPS after exposing the membrane to bath sonication. We also demonstrated that Cu-NP functionalization can be repeated after the Cu-NPs dissolve from the membrane surface. The Cu-NP functionalization had minimal impact on the intrinsic membrane transport parameters. Surface hydrophilicity and surface roughness were also maintained, and the membrane surface charge became positive after functionalization. The functionalized membrane exhibited significant antibacterial activity, leading to an 80-95% reduction in the number of attached live bacteria for three different model bacterial strains. Challenges associated with this functionalization method and its implementation in RO desalination are discussed. © 2013 American Chemical Society.

Toward tuning the surface functionalization of small ceria nanoparticles

International Nuclear Information System (INIS)

Huang, Xing; Wang, Binghui; Grulke, Eric A.; Beck, Matthew J.

2014-01-01

Understanding and controlling the performance of ceria nanoparticle (CNP) catalysts requires knowledge of the detailed structure and property of CNP surfaces and any attached functional groups. Here we report thermogravimetric analysis results showing that hydrothermally synthesized ∼30 nm CNPs are decorated with 12.9 hydroxyl groups per nm 2 of CNP surface. Quantum mechanical calculations of the density and distribution of bound surface groups imply a scaling relationship for surface group density that balances formal charges in the functionalized CNP system. Computational results for CNPs with only hydroxyl surface groups yield a predicted density of bound hydroxyl groups for ∼30 nm CNPs that is ∼33% higher than measured densities. Quantitative agreement between predicted and measured hydroxyl surface densities is achieved when calculations consider CNPs with both –OH and –O x surface groups. For this more general treatment of CNP surface functionalizations, quantum mechanical calculations predict a range of stable surface group configurations that depend on the chemical potentials of O and H, and demonstrate the potential to tune CNP surface functionalizations by varying temperature and/or partial pressures of O 2 and H 2 O

Triboelectric Hydrogen Gas Sensor with Pd Functionalized Surface

Directory of Open Access Journals (Sweden)

Sung-Ho Shin

2016-10-01

Full Text Available Palladium (Pd-based hydrogen (H2 gas sensors have been widely investigated thanks to its fast reaction and high sensitivity to hydrogen. Various sensing mechanisms have been adopted for H2 gas sensors; however, all the sensors must be powered through an external battery. We report here an H2 gas sensor that can detect H2 by measuring the output voltages generated during contact electrification between two friction surfaces. When the H2 sensor, composed of Pd-coated ITO (indium tin oxide and PET (polyethylene Terephthalate film, is exposed to H2, its output voltage is varied in proportion to H2 concentration because the work function (WF of Pd-coated surface changes, altering triboelectric charging behavior. Specifically, the output voltage of the sensor is gradually increased as exposing H2 concentration increases. Reproducible and sensitive sensor response was observed up 1% H2 exposure. The approach introduced here can easily be adopted to development of triboelectric gas sensors detecting other gas species.

Gold work function reduction by 2.2 eV with an air-stable molecular donor layer

Energy Technology Data Exchange (ETDEWEB)

Broeker, Benjamin; Blum, Ralf-Peter; Frisch, Johannes; Rabe, Juergen P.; Koch, Norbert [Institut fuer Physik, Humboldt-Universitaet zu Berlin (Germany); Vollmer, Antje [Berliner Elektronenspeicherring-Gesellschaft fuer Synchrotronstrahlung mbH, Berlin (Germany); Hofmann, Oliver T.; Zojer, Egbert [Institut of Solid State Physics, Graz University of Technology (Austria); Rieger, Ralph; Muellen, Klaus [Max Planck Institut fuer Polymerforschung, Mainz (Germany)

2009-07-01

Ultraviolet photoelectron spectroscopy was used to investigate neutral methyl viologen (1,1'-dimethyl-1H,1'H-[4,4']bipyridinylidene, MV0) deposited on Au(111) surfaces. As a result of molecule-to-metal electron transfer, the work function of Au(111) was decreased from 5.5 eV to 3.3 eV. The energy levels of electron transport layers deposited on top of modified Au surfaces were shifted to higher binding energy compared to layers on pristine Au, and the electron injection barrier was reduced by 0.8 eV for tris(8-hydroxyquinoline)aluminum (Alq3) and by 0.7 eV for C60. The air-stable donor MV0 can thus be used to facilitate electron injection into organic semiconductors even from high work function metals.

Electron emission and work function-Past, present and future

International Nuclear Information System (INIS)

Yamamoto, Shigehiko

2005-01-01

The history of electron emission is reviewed from a standpoint of the work function and the applications. For years, in the field of thermionic emission, a great deal of efforts have been devoted to search for low work function materials with a high melting temperature, while the reduction of the local change in time of the work function rather than the work function itself has been the main issue of field emission investigations. High brightness and long life are the central targets of the emission material investigations for the scientific instrument application, while high current density and low power consumption are the guiding principles for the display application. In both fields, field emission has recently become dominant in research and development. In all above cases, the main issue in the future research works will be to analyze the work function in atomic level and thereby to understand the mechanism of the work function reduction by atom adsorption, the change in time of the local work function leading to the current fluctuation, and the relationship between microscopic and macroscopic work functions. Our attempt is discussed, where the work function in atomic level is measured by utilizing the STM technique and it is made clear how far the work function in atomic level extends its influence over the neighboring sites. As a result, a simple relationship is established between microscopic and macroscopic work functions

Highly Hydrophilic Thin-Film Composite Forward Osmosis Membranes Functionalized with Surface-Tailored Nanoparticles

KAUST Repository

Tiraferri, Alberto

2012-09-26

Thin-film composite polyamide membranes are state-of-the-art materials for membrane-based water purification and desalination processes, which require both high rejection of contaminants and high water permeabilities. However, these membranes are prone to fouling when processing natural waters and wastewaters, because of the inherent surface physicochemical properties of polyamides. The present work demonstrates the fabrication of forward osmosis polyamide membranes with optimized surface properties via facile and scalable functionalization with fine-tuned nanoparticles. Silica nanoparticles are coated with superhydrophilic ligands possessing functional groups that impart stability to the nanoparticles and bind irreversibly to the native carboxyl moieties on the membrane selective layer. The tightly tethered layer of nanoparticles tailors the surface chemistry of the novel composite membrane without altering the morphology or water/solute permeabilities of the membrane selective layer. Surface characterization and interfacial energy analysis confirm that highly hydrophilic and wettable membrane surfaces are successfully attained. Lower intermolecular adhesion forces are measured between the new membrane materials and model organic foulants, indicating the presence of a bound hydration layer at the polyamide membrane surface that creates a barrier for foulant adhesion. © 2012 American Chemical Society.

Work functioning trajectories in cancer patients: Results from the longitudinal Work Life after Cancer (WOLICA) study.

Science.gov (United States)

Dorland, Heleen F; Abma, Femke I; Roelen, Corné A M; Stewart, Roy E; Amick, Benjamin C; Ranchor, Adelita V; Bültmann, Ute

2017-11-01

More than 60% of cancer patients are able to work after cancer diagnosis. However, little is known about their functioning at work. Therefore, the aims of this study were to (1) identify work functioning trajectories in the year following return to work (RTW) in cancer patients and (2) examine baseline sociodemographic, health-related and work-related variables associated with work functioning trajectories. This longitudinal cohort study included 384 cancer patients who have returned to work after cancer diagnosis. Work functioning was measured at baseline, 3, 6, 9 and 12 months follow-up. Latent class growth modeling (LCGM) was used to identify work functioning trajectories. Associations of baseline variables with work functioning trajectories were examined using univariate and multivariate analyses. LCGM analyses with cancer patients who completed on at least three time points the Work Role Functioning Questionnaire (n = 324) identified three work functioning trajectories: "persistently high" (16% of the sample), "moderate to high" (54%) and "persistently low" work functioning (32%). Cancer patients with persistently high work functioning had less time between diagnosis and RTW and had less often a changed meaning of work, while cancer patients with persistently low work functioning reported more baseline cognitive symptoms compared to cancer patients in the other trajectories. This knowledge has implications for cancer care and guidance of cancer patients at work. © 2017 UICC.

Work function in niobium, tantalum and vanadium hydrides

International Nuclear Information System (INIS)

Kucherov, Ya.R.; Markin, V.Ya.; Savin, V.I.; Topil'skij, N.D.

1978-01-01

The concentration dependences of the work function of electrons in hydrides of Nb, Ta and V are presented. The work function of electrons was studied at room temperature by the contact Kelvin potential difference method to an accuracy of +-0.02 eV. The effect of hydrogen on the work function variations in the systems investigated has been analyzed. It is shown that a higher hydrogen concentration in solid solutions based on the Nb-H and Ta-H systems increases the effective total positive dipole moment, whereby the work function decreases. The abnormal changes in the work function in the region of solid solutions of hydrogen in vanadium seem to be due to the specific electronic structure of vanadium and its interaction with hydrogen

Selective functionalization of patterned glass surfaces

NARCIS (Netherlands)

Ploetz, E.; Visser, B.; Slingenbergh, W.; Evers, K.; Martinez-Martinez, D.; Pei, Y. T.; Feringa, B. L.; De Hosson, J. Th. M.; Cordes, T.; van Dorp, W. F.

2014-01-01

Tailored writing and specific positioning of molecules on nanostructures is a key step for creating functional materials and nano-optical devices, or interfaces for synthetic machines in various applications. We present a novel approach for the selective functionalization of patterned glass surfaces

The orthogonal gradients method: A radial basis functions method for solving partial differential equations on arbitrary surfaces

KAUST Repository

Piret, Cécile

2012-05-01

Much work has been done on reconstructing arbitrary surfaces using the radial basis function (RBF) method, but one can hardly find any work done on the use of RBFs to solve partial differential equations (PDEs) on arbitrary surfaces. In this paper, we investigate methods to solve PDEs on arbitrary stationary surfaces embedded in . R3 using the RBF method. We present three RBF-based methods that easily discretize surface differential operators. We take advantage of the meshfree character of RBFs, which give us a high accuracy and the flexibility to represent the most complex geometries in any dimension. Two out of the three methods, which we call the orthogonal gradients (OGr) methods are the result of our work and are hereby presented for the first time. © 2012 Elsevier Inc.

Macromolecular surface design: photopatterning of functional stable nitrile oxides.

Science.gov (United States)

Altintas, Ozcan; Glassner, Mathias; Rodriguez-Emmenegger, Cesar; Welle, Alexander; Trouillet, Vanessa; Barner-Kowollik, Christopher

2015-05-04

The efficient trapping of photogenerated thioaldehydes with functional shelf-stable nitrile oxides in a 1,3-dipolar cycloaddition is a novel and versatile photochemical strategy for polymer end-group functionalization and surface modification under mild and equimolar conditions. The modular ligation in solution was followed in detail by electrospray ionization mass spectrometry (ESI-MS). X-ray photoelectron spectroscopy (XPS) was employed to analyze the functionalized surfaces, whereas time-of-flight secondary-ion mass spectrometry (ToF-SIMS) confirmed the spatial control of the surface functionalization using a micropatterned shadow mask. Polymer brushes were grown from the surface in a spatially confined regime by surface-initiated atom transfer radical polymerization (SI-ATRP) as confirmed by TOF-SIMS, XPS as well as ellipsometry. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Measuring current emission and work functions of large thermionic cathodes

International Nuclear Information System (INIS)

Fortgang, C.M.

2001-01-01

As one component of the nations Stockpile Stewardship program, Los Alamos National Laboratory is constructing a 20 MeV, 2 kA (with a 4 kA upgrade capability), 3ps induction linac for doing x-ray radiography of explosive devices. The linac is one leg of a facility called the Dual-Axis Radiography Hydrodynamic Test Facility (DARHT). The electron gun is designed to operate at 3.2 MV. The gun is a Pierce type design and uses a 6.5' cathode for 2 kA operation and an 8' cathode for 4 kA operation. We have constructed a small facility called the Cathode Test Stand (CTS) to investigate engineering and physics issues regarding large thermionic dispenser-cathodes. In particular, we have looked at the issues of temperature uniformity on the cathode surface and cathode quality as measured by its work function. We have done thermal imaging of both 8' and 6.5' cathodes. Here we report on measurements of the cathode work function, both the average value and how it vanes across the face of the cathode.

Surface moisture measurement system acceptance testing work plan

International Nuclear Information System (INIS)

Ritter, G.A.

1996-01-01

This work plan addresses testing of the Surface Moisture Measurement System (SMMS) at the Fuels and Materials Examination Facility (FMEF). The purpose of this plan is to define the scope of work, identify organizational responsibilities, describe test control requirements, and provide estimated costs and schedule associated with acceptance testing

Interpolation of magnetic surface functions for an axi-symmetric plasma

International Nuclear Information System (INIS)

Yamaguchi, Taiki; Maeyama, Mitsuaki

2000-01-01

Informations of the magnetic surface functions of magnetically confined plasma are indispensable for equilibrium, stability and transport analyses. In this paper, in order to identify a realistic surface functions and compare those with ones which are introduced from Taylor's relaxation theory, we propose a code to interpolate these surface functions for an axi-symmetric plasma from experimentally measured data. To confirm our code, we used the date which were analyzed from known functions given as a measured data. As a result, we have developed a code which can derive surface functions I and P. Effects of measurement error on those functions are also examined. (author)

Surface plasma functionalization influences macrophage behavior on carbon nanowalls

Energy Technology Data Exchange (ETDEWEB)

Ion, Raluca [University of Bucharest, Department of Biochemistry and Molecular Biology, 91-95 Spl. Independentei, 050095 Bucharest (Romania); Vizireanu, Sorin [National Institute for Laser, Plasma and Radiation Physics, 409 Atomistilor, PO Box MG-36, 077125, Magurele, Bucharest (Romania); Stancu, Claudia Elena [National Institute for Laser, Plasma and Radiation Physics, 409 Atomistilor, PO Box MG-36, 077125, Magurele, Bucharest (Romania); Leibniz Institute for Plasma Science and Technology (INP Greifswald), Felix-Hausdorff-Str. 2, 17489 Greifswald (Germany); Luculescu, Catalin [National Institute for Laser, Plasma and Radiation Physics, 409 Atomistilor, PO Box MG-36, 077125, Magurele, Bucharest (Romania); Cimpean, Anisoara, E-mail: anisoara.cimpean@bio.unibuc.ro [University of Bucharest, Department of Biochemistry and Molecular Biology, 91-95 Spl. Independentei, 050095 Bucharest (Romania); Dinescu, Gheorghe [National Institute for Laser, Plasma and Radiation Physics, 409 Atomistilor, PO Box MG-36, 077125, Magurele, Bucharest (Romania)

2015-03-01

The surfaces of carbon nanowall samples as scaffolds for tissue engineering applications were treated with oxygen or nitrogen plasma to improve their wettability and to functionalize their surfaces with different functional groups. X-ray photoelectron spectroscopy and water contact angle results illustrated the effective conversion of the carbon nanowall surfaces from hydrophobic to hydrophilic and the incorporation of various amounts of carbon, oxygen and nitrogen functional groups during the treatments. The early inflammatory responses elicited by un-treated and modified carbon nanowall surfaces were investigated by quantifying tumor necrosis factor-alpha and macrophage inflammatory protein-1 alpha released by attached RAW 264.7 macrophage cells. Scanning electron microscopy and fluorescence studies were employed to investigate the changes in macrophage morphology and adhesive properties, while MTT assay was used to quantify cell proliferation. All samples sustained macrophage adhesion and growth. In addition, nitrogen plasma treatment was more beneficial for cell adhesion in comparison with un-modified carbon nanowall surfaces. Instead, oxygen plasma functionalization led to increased macrophage adhesion and spreading suggesting a more activated phenotype, confirmed by elevated cytokine release. Thus, our findings showed that the chemical surface alterations which occur as a result of plasma treatment, independent of surface wettability, affect macrophage response in vitro. - Highlights: • N{sub 2} and O{sub 2} plasma treatments alter the CNW surface chemistry and wettability. • Cells seeded on CNW scaffolds are viable and metabolically active. • Surface functional groups, independent of surface wettability, affect cell response. • O{sub 2} plasma treatment of CNW leads to a more activated macrophage phenotype.

Tuning the ITO work function by capacitively coupled plasma and its application in inverted organic solar cells

International Nuclear Information System (INIS)

Fang, Ming; Zhang, Chunmei; Chen, Qiang

2016-01-01

Highlights: • The work function of ITO was reduced by plasma treatment. • The reduction of the work function was attributed to the variation in chemical component of ITO surface. • The inverted solar cell without electron transport layer was fabricated using plasma-treated ITO. • Optimal power conversion efficiency of 3.22% was achieved. - Abstract: In this paper, we investigated the performance of inverted organic solar cells (OSCs) with plasma-treated indium tin oxide (ITO) as the cathode for omitting an electron transport layer. The Ar plasma was produced by capcitively coupled plasma setup under 20 Pa chamber pressure. For the device with the structure of plasma-treated ITO/P3HT:PCBM/MoO_3/Ag, a power conversion efficiency (PCE) of 3.22% was achieved, whereas PCE of 1.13% was recorded from the device fabricated with the pristine ITO. The photovoltaic performance was found to be dependent on the applied power of plasma. After analyzing by atomic force microscopy (AFM) and X-ray photoelectron spectroscopy (XPS), we concluded that the chemical component variation of ITOs surface resulted in the decrease of ITO work function, which meant that the ITO Fermi level became shallow relative to the vacuum level. The low work function of ITO should be responsible for the improvement of inverted OSCs because of the better energy level alignment between ITO and the photoactive layer.

Tuning the ITO work function by capacitively coupled plasma and its application in inverted organic solar cells

Energy Technology Data Exchange (ETDEWEB)

Fang, Ming [Laboratory of Plasma Physics and Materials, Beijing Institute of Graphic Communication, Beijing (China); Zhang, Chunmei, E-mail: zhangchunmei@bigc.edu.cn [Laboratory of Plasma Physics and Materials, Beijing Institute of Graphic Communication, Beijing (China); Chen, Qiang [Laboratory of Plasma Physics and Materials, Beijing Institute of Graphic Communication, Beijing (China); State Key Laboratory of Electrical Insulation and Power Equipment, Xi’an Jiaotong University, Xi’an (China)

2016-11-01

Highlights: • The work function of ITO was reduced by plasma treatment. • The reduction of the work function was attributed to the variation in chemical component of ITO surface. • The inverted solar cell without electron transport layer was fabricated using plasma-treated ITO. • Optimal power conversion efficiency of 3.22% was achieved. - Abstract: In this paper, we investigated the performance of inverted organic solar cells (OSCs) with plasma-treated indium tin oxide (ITO) as the cathode for omitting an electron transport layer. The Ar plasma was produced by capcitively coupled plasma setup under 20 Pa chamber pressure. For the device with the structure of plasma-treated ITO/P3HT:PCBM/MoO{sub 3}/Ag, a power conversion efficiency (PCE) of 3.22% was achieved, whereas PCE of 1.13% was recorded from the device fabricated with the pristine ITO. The photovoltaic performance was found to be dependent on the applied power of plasma. After analyzing by atomic force microscopy (AFM) and X-ray photoelectron spectroscopy (XPS), we concluded that the chemical component variation of ITOs surface resulted in the decrease of ITO work function, which meant that the ITO Fermi level became shallow relative to the vacuum level. The low work function of ITO should be responsible for the improvement of inverted OSCs because of the better energy level alignment between ITO and the photoactive layer.

Optical excitation and electron relaxation dynamics at semiconductor surfaces: a combined approach of density functional and density matrix theory applied to the silicon (001) surface

Energy Technology Data Exchange (ETDEWEB)

Buecking, N

2007-11-05

In this work a new theoretical formalism is introduced in order to simulate the phononinduced relaxation of a non-equilibrium distribution to equilibrium at a semiconductor surface numerically. The non-equilibrium distribution is effected by an optical excitation. The approach in this thesis is to link two conventional, but approved methods to a new, more global description: while semiconductor surfaces can be investigated accurately by density-functional theory, the dynamical processes in semiconductor heterostructures are successfully described by density matrix theory. In this work, the parameters for density-matrix theory are determined from the results of density-functional calculations. This work is organized in two parts. In Part I, the general fundamentals of the theory are elaborated, covering the fundamentals of canonical quantizations as well as the theory of density-functional and density-matrix theory in 2{sup nd} order Born approximation. While the formalism of density functional theory for structure investigation has been established for a long time and many different codes exist, the requirements for density matrix formalism concerning the geometry and the number of implemented bands exceed the usual possibilities of the existing code in this field. A special attention is therefore attributed to the development of extensions to existing formulations of this theory, where geometrical and fundamental symmetries of the structure and the equations are used. In Part II, the newly developed formalism is applied to a silicon (001)surface in a 2 x 1 reconstruction. As first step, density-functional calculations using the LDA functional are completed, from which the Kohn-Sham-wave functions and eigenvalues are used to calculate interaction matrix elements for the electron-phonon-coupling an the optical excitation. These matrix elements are determined for the optical transitions from valence to conduction bands and for electron-phonon processes inside the

Diamond surface functionalization with biomimicry - Amine surface tether and thiol moiety for electrochemical sensors

Science.gov (United States)

Sund, James B.; Causey, Corey P.; Wolter, Scott D.; Parker, Charles B.; Stoner, Brian R.; Toone, Eric J.; Glass, Jeffrey T.

2014-05-01

The surface of conducting diamond was functionalized with a terminal thiol group that is capable of binding and detecting nitrogen-oxygen species. The functionalization process employed multiple steps starting with doped diamond films grown by plasma enhanced chemical vapor deposition followed by hydrogen termination and photochemical attachment of a chemically protected amine alkene. The surface tether was deprotected to reveal the amine functionality, which enabled the tether to be extended with surface chemistry to add a terminal thiol moiety for electrochemical sensing applications. Each step of the process was validated using X-ray photoelectron spectroscopy analysis.

Executive Functions and Working Memory Behaviours in Children with a Poor Working Memory

Science.gov (United States)

St. Clair-Thompson, Helen L.

2011-01-01

Previous research has suggested that working memory difficulties play an integral role in children's underachievement at school. However, working memory is just one of several executive functions. The extent to which problems in working memory extend to other executive functions is not well understood. In the current study 38 children with a poor…

Surface functionalization of 3D-printed plastics via initiated chemical vapor deposition

Directory of Open Access Journals (Sweden)

Christine Cheng

2017-08-01

Full Text Available 3D printing is a useful fabrication technique because it offers design flexibility and rapid prototyping. The ability to functionalize the surfaces of 3D-printed objects allows the bulk properties, such as material strength or printability, to be chosen separately from surface properties, which is critical to expanding the breadth of 3D printing applications. In this work, we studied the ability of the initiated chemical vapor deposition (iCVD process to coat 3D-printed shapes composed of poly(lactic acid and acrylonitrile butadiene styrene. The thermally insulating properties of 3D-printed plastics pose a challenge to the iCVD process due to large thermal gradients along the structures during processing. In this study, processing parameters such as the substrate temperature and the filament temperature were systematically varied to understand how these parameters affect the uniformity of the coatings along the 3D-printed objects. The 3D-printed objects were coated with both hydrophobic and hydrophilic polymers. Contact angle goniometry and X-ray photoelectron spectroscopy were used to characterize the functionalized surfaces. Our results can enable the use of iCVD to functionalize 3D-printed materials for a range of applications such as tissue scaffolds and microfluidics.

Sub-10-nm Graphene Nanoribbons with Tunable Surface Functionalities for Lithium-ion Batteries

International Nuclear Information System (INIS)

Li, Yan-Sheng; Ao, Xiang; Liao, Jia-Liang; Jiang, Jianjun; Wang, Chundong; Chiang, Wei-Hung

2017-01-01

Highlights: •A green and scalable method to produce sub-10-nm GNR is present. •The surface functionality of sub-10-nm GNR is critical for the LIB properties. •The sub-10-nm GNR showed superior LIB capacity of 490.4 mAh g −1 after 100 cycles. -- Abstract: A systematic study to reveal the relationship between the surface oxygen-containing functionalities of sub-10-nm GNRs and their electrochemical properties for lithium-ion batteries has been presented. Sub-10-nm GNRs with controlled oxygen-containing groups were synthesized by a green and scalable intercalation-assisted unzipping SWCNTs. Detailed materials characterizations including TEM, XRD, Raman and XPS indicate that KNO 3 could be an effective intercalation agent to facilitate the SWCNT unzipping by reducing the strong Van der Waals force attraction of bundled SWCNT. The levels of surface functionalities of sub-10-nm GNR were tuned by carefully controlling the KMnO 4 concentration during the unzipping process. The electrochemical analysis suggests that the as-produced sub-10-nm GNR with 31.4 atomic percent (atom %) oxygen-containing functional groups showed the highest capacity of 490.4 mAh g −1 after 100 cycles. This work proposed that sub-10-nm GNRs with appropriate oxygen-functional groups can be a promising electrode material for high performance lithium-ion batteries.

Characterisation of work function fluctuations for high-precision experiments

Energy Technology Data Exchange (ETDEWEB)

Kahlenberg, Jan; Bickmann, Edward; Heil, Werner; Otten, Ernst W.; Schmidt, Christian; Wunderle, Alexander [Johannes Gutenberg-Universitaet Mainz (Germany); Babutzka, Martin; Schoenung, Kerstin [Karlsruher Institut fuer Technologie (Germany); Beck, Marcus [Johannes Gutenberg-Universitaet Mainz (Germany); Helmholtz-Institut Mainz (Germany)

2016-07-01

For a wide range of high-precision experiments in physics, well-defined electric potentials for achieving high measurement accuracies are required. An accurate determination of the electric potential is crucial for the measurement of the neutrino mass (KATRIN) as well as the measurement of the e{sup -} anti ν{sub e} correlation coefficient a in free neutron decay (aSPECT). Work function fluctuations on the electrodes lead to uncertainties in the distribution of the electric potential. For aSPECT, the electric potential has to be known at an accuracy of 10 mV. However, due to the patch effect of gold, work function fluctuations of several 100 meV can occur. Therefore, the work function distributions of the gold-plated electrodes have been measured using a Kelvin probe. Furthermore, the change of work function distributions over time as well as the influence of relative humidity on the work function measurement have been investigated. For aSPECT, the work function distributions of the gold-plated electrodes have been measured using a Kelvin probe. Due to the patch effect of gold, work function fluctuations of up to 160 meV occur. This would lead to a significant uncertainty of the potential barrier, which should be known at an accuracy of 10 mV. Furthermore, the change of work function distributions over time as well as the influence of relative humidity on the work function measurement have been investigated.

Assembly, Structure, and Functionality of Metal-Organic Networks and Organic Semiconductor Layers at Surfaces

Science.gov (United States)

Tempas, Christopher D.

Self-assembled nanostructures at surfaces show promise for the development of next generation technologies including organic electronic devices and heterogeneous catalysis. In many cases, the functionality of these nanostructures is not well understood. This thesis presents strategies for the structural design of new on-surface metal-organic networks and probes their chemical reactivity. It is shown that creating uniform metal sites greatly increases selectivity when compared to ligand-free metal islands. When O2 reacts with single-site vanadium centers, in redox-active self-assembled coordination networks on the Au(100) surface, it forms one product. When O2 reacts with vanadium metal islands on the same surface, multiple products are formed. Other metal-organic networks described in this thesis include a mixed valence network containing Pt0 and PtII and a network where two Fe centers reside in close proximity. This structure is stable to temperatures >450 °C. These new on-surface assemblies may offer the ability to perform reactions of increasing complexity as future heterogeneous catalysts. The functionalization of organic semiconductor molecules is also shown. When a few molecular layers are grown on the surface, it is seen that the addition of functional groups changes both the film's structure and charge transport properties. This is due to changes in both first layer packing structure and the pi-electron distribution in the functionalized molecules compared to the original molecule. The systems described in this thesis were studied using high-resolution scanning tunneling microscopy, non-contact atomic force microscopy, and X-ray photoelectron spectroscopy. Overall, this work provides strategies for the creation of new, well-defined on-surface nanostructures and adds additional chemical insight into their properties.

TOPICAL REVIEW: Vicinal surfaces for functional nanostructures

Science.gov (United States)

Tegenkamp, Christoph

2009-01-01

Vicinal surfaces are currently the focus of research. The regular arrangements of atomic steps on a mesoscopic scale reveal the possibility to functionalize these surfaces for technical applications, e.g. nanowires, catalysts, etc. The steps of the vicinal surface are well-defined defect structures of atomic size for nucleation of low-dimensional nanostructures. The concentration and therefore the coupling between the nanostructures can be tuned over a wide range by simply changing the inclination angle of the substrate. However, the coupling of these nano-objects to the substrate is just as important in controlling their electronic or chemical properties and making a functionality useable. On the basis of stepped insulating films, these aspects are fulfilled and will be considered in the first part of this review. Recent results for the epitaxial growth of wide bandgap insulating films (CaF2, MgO, NaCl, BaSrO) on metallic and semiconducting vicinal substrates (Si(100), Ge(100), Ag(100)) will be presented. The change of the electronic structure, the adsorption behavior as well as the kinetics and energetics of color centers in the presence of steps is discussed. The successful bridging of the gap between the atomic and mesoscopic world, i.e. the functionalization of vicinal surfaces by nanostructures, is demonstrated in the second part by metal adsorption on semiconducting surfaces. For (sub)monolayer coverage these systems have in common that the surface states do not hybridize with the support, i.e. the semiconducting surfaces are insulating. Here I will focus on the latest results of macroscopic transport measurements on Pb quantum wires grown on vicinal Si(111) showing indeed a one-dimensional transport behavior.

An analysis of the accuracy of an initial value representation surface hopping wave function in the interaction and asymptotic regions

International Nuclear Information System (INIS)

Sergeev, Alexey; Herman, Michael F.

2006-01-01

The behavior of an initial value representation surface hopping wave function is examined. Since this method is an initial value representation for the semiclassical solution of the time independent Schroedinger equation for nonadiabatic problems, it has computational advantages over the primitive surface hopping wave function. The primitive wave function has been shown to provide transition probabilities that accurately compare with quantum results for model problems. The analysis presented in this work shows that the multistate initial value representation surface hopping wave function should approach the primitive result in asymptotic regions and provide transition probabilities with the same level of accuracy for scattering problems as the primitive method

Bone-like apatite coating on functionalized poly(etheretherketone) surface via tailored silanization layers technique

International Nuclear Information System (INIS)

Zheng, Yanyan; Xiong, Chengdong; Zhang, Shenglan; Li, Xiaoyu; Zhang, Lifang

2015-01-01

Poly(etheretherketone) (PEEK) is a rigid semi-crystalline polymer with outstanding mechanical properties, bone-like stiffness and suitable biocompatibility that has attracted much interest as a biomaterial for orthopedic and dental implants. However, the bio-inert surface of PEEK limits its biomedical applications when direct osteointegration between the implants and the host tissue is desired. In this work, –PO 4 H 2 , –COOH and –OH groups were introduced on the PEEK surface by further chemical treatments of the vinyl-terminated silanization layers formed on the hydroxylation-pretreated PEEK surface. Both the surface-functionalized and pristine specimens were characterized by X-ray photoelectron spectroscopy (XPS), attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy and water contact angle measurements. When placed in 1.5 strength simulated body fluid (SBF) solution, apatite was observed to form uniformly on the functionalized PEEK surface and firmly attach to the substrate. The characterized results demonstrated that the coating was constituted by poorly crystallized bone-like apatite and the effect of surface functional groups on coating formation was also discussed in detail. In addition, in vitro biocompatibility of PEEK, in terms of pre-osteoblast cell (MC3T3-E1) attachment, spreading and proliferation, was remarkably enhanced by the bone-like apatite coating. Thus, this study provides a method to enhance the bioactivity of PEEK and expand its applications in orthopedic and dental implants. - Highlights: • –PO 4 H 2 , –COOH and –OH groups were successfully introduced onto PEEK surface via tailored silanization layer technique. • Bone-like apatite formed uniformly on surface-functionalized PEEK after immersion in SBF, and tightly adhered to the PEEK. • SEM, EDS, FTIR, XPS and XRD results showed that apatite layer is composed of low-crystalline bone-like apatite. • Bone-like apatite coating remarkably enhanced pre

The effects of work surface hardness on mechanical stress, muscle activity, and wrist postures.

Science.gov (United States)

Kim, Jeong Ho; Aulck, Lovenoor; Trippany, David; Johnson, Peter W

2015-01-01

Contact pressure is a risk factor which can contribute to musculoskeletal disorders. The objective of the present study was to determine whether a work surface with a soft, pliable front edge could reduce contact pressure, muscle activity, and subjective musculoskeletal comfort, and improve wrist posture relative to a conventional, hard work surface. In a repeated-measures blinded experiment with eighteen subjects (8 females and 10 males), contact pressure, wrist posture, typing productivity, perceived fatigue, wrist and shoulder muscle activity, and subjective comfort were compared between the two different work surfaces during keyboard use, mouse use and mixed mouse and keyboard use. The results showed that across the three modes of computer work, the contact pressure was lower on the soft-edge work surface compared to the conventional work surface (p's work surfaces. Given the significant reduction in contact pressure and corresponding lower ratings in perceived fatigue, the soft-edge work surface subjectively and objectively improved measures of contact stress which may reduce physical exposures associated with the onset and development of musculoskeletal disorders.

Electrochemical characterization of organosilane-functionalized nanostructured ITO surfaces

Energy Technology Data Exchange (ETDEWEB)

Pruna, R., E-mail: rpruna@el.ub.edu; Palacio, F.; López, M. [SIC, Departament d' Enginyeries: Electrònica, Universitat de Barcelona, C/ Martí i Franquès 1, E-08028 Barcelona (Spain); Pérez, J. [Nanobioengineering Group, Institute for Bioengineering of Catalonia (IBEC), Baldiri Reixac 15-21, E-08028 Barcelona (Spain); Mir, M. [Nanobioengineering Group, Institute for Bioengineering of Catalonia (IBEC), Baldiri Reixac 15-21, E-08028 Barcelona (Spain); Centro de Investigación Biomédica en Red en Bioingeniería, Biomateriales y Nanomedicina (CIBER-BBN), Monforte de Lemos 3-5 Pabellón 11, E-28029 Madrid (Spain); Blázquez, O.; Hernández, S.; Garrido, B. [MIND-IN" 2UB, Departament d' Enginyeries: Electrònica, Universitat de Barcelona, C/ Martí i Franquès 1, E-08028 Barcelona (Spain)

2016-08-08

The electroactivity of nanostructured indium tin oxide (ITO) has been investigated for its further use in applications such as sensing biological compounds by the analysis of redox active molecules. ITO films were fabricated by using electron beam evaporation at different substrate temperatures and subsequently annealed for promoting their crystallization. The morphology of the deposited material was monitored by scanning electron microscopy, confirming the deposition of either thin films or nanowires, depending on the substrate temperature. Electrochemical surface characterization revealed a 45 % increase in the electroactive surface area of nanostructured ITO with respect to thin films, one third lower than the geometrical surface area variation determined by atomic force microscopy. ITO surfaces were functionalized with a model organic molecule known as 6-(ferrocenyl)hexanethiol. The chemical attachment was done by means of a glycidoxy compound containing a reactive epoxy group, the so-called 3-glycidoxypropyltrimethoxy-silane. ITO functionalization was useful for determining the benefits of nanostructuration on the surface coverage of active molecules. Compared to ITO thin films, an increase in the total peak height of 140 % was observed for as-deposited nanostructured electrodes, whereas the same measurement for annealed electrodes resulted in an increase of more than 400 %. These preliminary results demonstrate the ability of nanostructured ITO to increase the surface-to-volume ratio, conductivity and surface area functionalization, features that highly benefit the performance of biosensors.

Electrochemical characterization of organosilane-functionalized nanostructured ITO surfaces

International Nuclear Information System (INIS)

Pruna, R.; Palacio, F.; López, M.; Pérez, J.; Mir, M.; 2UB, Departament d'Enginyeries: Electrònica, Universitat de Barcelona, C/ Martí i Franquès 1, E-08028 Barcelona (Spain))" data-affiliation=" (MIND-IN2UB, Departament d'Enginyeries: Electrònica, Universitat de Barcelona, C/ Martí i Franquès 1, E-08028 Barcelona (Spain))" >Blázquez, O.; 2UB, Departament d'Enginyeries: Electrònica, Universitat de Barcelona, C/ Martí i Franquès 1, E-08028 Barcelona (Spain))" data-affiliation=" (MIND-IN2UB, Departament d'Enginyeries: Electrònica, Universitat de Barcelona, C/ Martí i Franquès 1, E-08028 Barcelona (Spain))" >Hernández, S.; 2UB, Departament d'Enginyeries: Electrònica, Universitat de Barcelona, C/ Martí i Franquès 1, E-08028 Barcelona (Spain))" data-affiliation=" (MIND-IN2UB, Departament d'Enginyeries: Electrònica, Universitat de Barcelona, C/ Martí i Franquès 1, E-08028 Barcelona (Spain))" >Garrido, B.

2016-01-01

The electroactivity of nanostructured indium tin oxide (ITO) has been investigated for its further use in applications such as sensing biological compounds by the analysis of redox active molecules. ITO films were fabricated by using electron beam evaporation at different substrate temperatures and subsequently annealed for promoting their crystallization. The morphology of the deposited material was monitored by scanning electron microscopy, confirming the deposition of either thin films or nanowires, depending on the substrate temperature. Electrochemical surface characterization revealed a 45 % increase in the electroactive surface area of nanostructured ITO with respect to thin films, one third lower than the geometrical surface area variation determined by atomic force microscopy. ITO surfaces were functionalized with a model organic molecule known as 6-(ferrocenyl)hexanethiol. The chemical attachment was done by means of a glycidoxy compound containing a reactive epoxy group, the so-called 3-glycidoxypropyltrimethoxy-silane. ITO functionalization was useful for determining the benefits of nanostructuration on the surface coverage of active molecules. Compared to ITO thin films, an increase in the total peak height of 140 % was observed for as-deposited nanostructured electrodes, whereas the same measurement for annealed electrodes resulted in an increase of more than 400 %. These preliminary results demonstrate the ability of nanostructured ITO to increase the surface-to-volume ratio, conductivity and surface area functionalization, features that highly benefit the performance of biosensors.

Filtering Non-Linear Transfer Functions on Surfaces.

Science.gov (United States)

Heitz, Eric; Nowrouzezahrai, Derek; Poulin, Pierre; Neyret, Fabrice

2014-07-01

Applying non-linear transfer functions and look-up tables to procedural functions (such as noise), surface attributes, or even surface geometry are common strategies used to enhance visual detail. Their simplicity and ability to mimic a wide range of realistic appearances have led to their adoption in many rendering problems. As with any textured or geometric detail, proper filtering is needed to reduce aliasing when viewed across a range of distances, but accurate and efficient transfer function filtering remains an open problem for several reasons: transfer functions are complex and non-linear, especially when mapped through procedural noise and/or geometry-dependent functions, and the effects of perspective and masking further complicate the filtering over a pixel's footprint. We accurately solve this problem by computing and sampling from specialized filtering distributions on the fly, yielding very fast performance. We investigate the case where the transfer function to filter is a color map applied to (macroscale) surface textures (like noise), as well as color maps applied according to (microscale) geometric details. We introduce a novel representation of a (potentially modulated) color map's distribution over pixel footprints using Gaussian statistics and, in the more complex case of high-resolution color mapped microsurface details, our filtering is view- and light-dependent, and capable of correctly handling masking and occlusion effects. Our approach can be generalized to filter other physical-based rendering quantities. We propose an application to shading with irradiance environment maps over large terrains. Our framework is also compatible with the case of transfer functions used to warp surface geometry, as long as the transformations can be represented with Gaussian statistics, leading to proper view- and light-dependent filtering results. Our results match ground truth and our solution is well suited to real-time applications, requires only a few

Surface-functionalized nanoparticles for biosensing and imaging-guided therapeutics

Science.gov (United States)

Jiang, Shan; Win, Khin Yin; Liu, Shuhua; Teng, Choon Peng; Zheng, Yuangang; Han, Ming-Yong

2013-03-01

In this article, the very recent progress of various functional inorganic nanomaterials is reviewed including their unique properties, surface functionalization strategies, and applications in biosensing and imaging-guided therapeutics. The proper surface functionalization renders them with stability, biocompatibility and functionality in physiological environments, and further enables their targeted use in bioapplications after bioconjugation via selective and specific recognition. The surface-functionalized nanoprobes using the most actively studied nanoparticles (i.e., gold nanoparticles, quantum dots, upconversion nanoparticles, and magnetic nanoparticles) make them an excellent platform for a wide range of bioapplications. With more efforts in recent years, they have been widely developed as labeling probes to detect various biological species such as proteins, nucleic acids and ions, and extensively employed as imaging probes to guide therapeutics such as drug/gene delivery and photothermal/photodynamic therapy.

Kinetic-energy functionals studied by surface calculations

DEFF Research Database (Denmark)

Vitos, Levente; Skriver, Hans Lomholt; Kollár, J.

1998-01-01

The self-consistent jellium model of metal surfaces is used to study the accuracy of a number of semilocal kinetic-energy functionals for independent particles. It is shown that the poor accuracy exhibited by the gradient expansion approximation and most of the semiempirical functionals in the lo...... density, high gradient limit may be subtantially improved by including locally a von Weizsacker term. Based on this, we propose a simple one-parameter Pade's approximation, which reproduces the exact Kohn-Sham surface kinetic energy over the entire range of metallic densities....

Strain engineering the work function in monolayer metal dichalcogenides

International Nuclear Information System (INIS)

Lanzillo, Nicholas A; Simbeck, Adam J; Nayak, Saroj K

2015-01-01

We use first-principles density functional theory to investigate the effect of both tensile and compressive strain on the work functions of various metal dichalcogenide monolayers. We find that for all six species considered, including MoS 2 , WS 2 , SnS 2 , VS 2 , MoSe 2 and MoTe 2 , that compressive strain of up to 10% decreases the work function continuously by as much as 1.0 eV. Large enough tensile strain is also found to decrease the work function, although in some cases we observe an increase in the work function for intermediate values of tensile strain. This work function modulation is attributed to a weakening of the chalcogenide-metal bonds and an increase in total energy of each system as a function of strain. Values of strain which bring the metal atoms closer together lead to an increase in electrostatic potential energy, which in turn results in an increase in the vacuum potential level. The net effect on the work function can be explained in terms of the balance between the increases in the vacuum potential levels and Fermi energy. (paper)

Bone-like apatite coating on functionalized poly(etheretherketone) surface via tailored silanization layers technique.

Science.gov (United States)

Zheng, Yanyan; Xiong, Chengdong; Zhang, Shenglan; Li, Xiaoyu; Zhang, Lifang

2015-10-01

Poly(etheretherketone) (PEEK) is a rigid semi-crystalline polymer with outstanding mechanical properties, bone-like stiffness and suitable biocompatibility that has attracted much interest as a biomaterial for orthopedic and dental implants. However, the bio-inert surface of PEEK limits its biomedical applications when direct osteointegration between the implants and the host tissue is desired. In this work, -PO4H2, -COOH and -OH groups were introduced on the PEEK surface by further chemical treatments of the vinyl-terminated silanization layers formed on the hydroxylation-pretreated PEEK surface. Both the surface-functionalized and pristine specimens were characterized by X-ray photoelectron spectroscopy (XPS), attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy and water contact angle measurements. When placed in 1.5 strength simulated body fluid (SBF) solution, apatite was observed to form uniformly on the functionalized PEEK surface and firmly attach to the substrate. The characterized results demonstrated that the coating was constituted by poorly crystallized bone-like apatite and the effect of surface functional groups on coating formation was also discussed in detail. In addition, in vitro biocompatibility of PEEK, in terms of pre-osteoblast cell (MC3T3-E1) attachment, spreading and proliferation, was remarkably enhanced by the bone-like apatite coating. Thus, this study provides a method to enhance the bioactivity of PEEK and expand its applications in orthopedic and dental implants. Copyright © 2015 Elsevier B.V. All rights reserved.

Photo-induced surface functionalization of carbon surfaces: The role of photoelectron ejection

International Nuclear Information System (INIS)

Colavita, Paula E.; Sun Bin; Tse, K.-Y.; Hamers, Robert J.

2008-01-01

Carbon-based materials are attractive for a wide range of applications, from biomaterials to fuel cells; however, their effective use often requires controlling the surface chemistry to incorporate recognition moieties or reactive centers. The high stability of carbon also makes it a challenging material to functionalize; recently, the use of ultraviolet light (254 nm) to initiate functionalization of carbon surfaces has emerged as a way to obtain carbon/organic interfaces with tailored properties. The authors have investigated the mechanism of covalent grafting of amorphous carbon surfaces with functional organic molecules using the photochemical reaction of terminal alkenes. Measurements comparing the reactivity of different n-alkenes bearing different terminal groups at the terminus opposite the olefin showed pronounced differences in reactivity. They characterized the rate and final coverage of the resulting organic layers using x-ray photoelectron spectroscopy and infrared reflection-absorption spectroscopy. Ultraviolet photoelectron spectroscopy and photocurrent measurements suggested that the reaction involves photoelectron emission from the carbon surface into the liquid phase. Density functional calculations show a strong correlation between the electron affinity of the alkenes and the observed reactivity. The specific terminal group opposite to the olefin was found to play an important role in the stabilization of excess negative charges on the molecule, thus explaining the strong dependence of reactivity on the particular terminal group. These findings suggest that the reaction involves injection of photoelectrons into the alkene acceptor levels, leading to the formation of radical anions in the liquid phase. Finally, the authors demonstrate that the grafting of marginally reactive alkenes can be enhanced by seeding the surface with a small amount of good electron accepting groups. These results provide fundamental new insights into the role of

The influence of temperature on the work function of W, LaB 6 and pseudo-alloys

Science.gov (United States)

Bulyga, A. V.; Solonovich, V. K.

1989-12-01

The experimental temperature dependences α f = d F/d T of the work function F = F( T) for W(111), LaB 6(100) and W-Ni-LaB 6 pseudo-alloy surfaces emitting thermoelectrons are compared with α f predicted by the Hohenberg-Lang-Kohn theory.

Molecular recognition on a cavitand-functionalized silicon surface.

Science.gov (United States)

Biavardi, Elisa; Favazza, Maria; Motta, Alessandro; Fragalà, Ignazio L; Massera, Chiara; Prodi, Luca; Montalti, Marco; Melegari, Monica; Condorelli, Guglielmo G; Dalcanale, Enrico

2009-06-03

A Si(100) surface featuring molecular recognition properties was obtained by covalent functionalization with a tetraphosphonate cavitand (Tiiii), able to complex positively charged species. Tiiii cavitand was grafted onto the Si by photochemical hydrosilylation together with 1-octene as a spatial spectator. The recognition properties of the Si-Tiiii surface were demonstrated through two independent analytical techniques, namely XPS and fluorescence spectroscopy, during the course of reversible complexation-guest exchange-decomplexation cycles with specifically designed ammonium and pyridinium salts. Control experiments employing a Si(100) surface functionalized with a structurally similar, but complexation inactive, tetrathiophosphonate cavitand (TSiiii) demonstrated no recognition events. This provides evidence for the complexation properties of the Si-Tiiii surface, ruling out the possibility of nonspecific interactions between the substrate and the guests. The residual Si-O(-) terminations on the surface replace the guests' original counterions, thus stabilizing the complex ion pairs. These results represent a further step toward the control of self-assembly of complex supramolecular architectures on surfaces.

Interaction of insulin with colloidal ZnS quantum dots functionalized by various surface capping agents.

Science.gov (United States)

Hosseinzadeh, Ghader; Maghari, Ali; Farniya, Seyed Morteza Famil; Keihan, Amir Homayoun; Moosavi-Movahedi, Ali A

2017-08-01

Interaction of quantum dots (QDs) and proteins strongly influenced by the surface characteristics of the QDs at the protein-QD interface. For a precise control of these surface-related interactions, it is necessary to improve our understanding in this field. In this regard, in the present work, the interaction between the insulin and differently functionalized ZnS quantum dots (QDs) were studied. The ZnS QDs were functionalized with various functional groups of hydroxyl (OH), carboxyl (COOH), amine (NH 2 ), and amino acid (COOH and NH 2 ). The effect of surface hydrophobicity was also studied by changing the alkyl-chain lengths of mercaptocarboxylic acid capping agents. The interaction between insulin and the ZnS QDs were investigated by fluorescence quenching, synchronous fluorescence, circular dichroism (CD), and thermal aggregation techniques. The results reveal that among the studied QDs, mercaptosuccinic acid functionalized QDs has the strongest interaction (∆G ° =-51.50kJ/mol at 310K) with insulin, mercaptoethanol functionalized QDs destabilize insulin by increasing the beta-sheet contents, and only cysteine functionalized QDs improves the insulin stability by increasing the alpha-helix contents of the protein, and. Our results also indicate that by increasing the alkyl-chain length of capping agents, due to an increase in hydrophobicity of the QDs surface, the beta-sheet contents of insulin increase which results in the enhancement of insulin instability. Copyright © 2017 Elsevier B.V. All rights reserved.

Protection of MoO3 high work function by organic thin film

International Nuclear Information System (INIS)

Wang, Chenggong; Irfan, Irfan; Gao, Yongli

2014-01-01

The effects of air exposure are investigated for molybdenum trioxide (MoO 3 ) covered with organic thin films using ultraviolet photoemission spectroscopy. It is found that the severe drop of the work function of MoO 3 by air exposure is substantially reduced by the organic thin films. Both CuPc and C 60 are used for the investigations. The results indicate that the MoO 3 surface can be passivated by approximately two monolayers of organic thin films against exposure to air

Surface functionalization of epitaxial graphene on SiC by ion irradiation for gas sensing application

Energy Technology Data Exchange (ETDEWEB)

Kaushik, Priya Darshni, E-mail: kaushik.priyadarshni@gmail.com [Department of Physics, Chemistry and Biology, Linköping University, SE-58183 Linköping (Sweden); Department of Physics, Jamia Millia Islamia, New Delhi, 110025 (India); Ivanov, Ivan G.; Lin, Pin-Cheng [Department of Physics, Chemistry and Biology, Linköping University, SE-58183 Linköping (Sweden); Kaur, Gurpreet [Department of Physics and Astrophysics, University of Delhi, Delhi, 110007 (India); Eriksson, Jens [Department of Physics, Chemistry and Biology, Linköping University, SE-58183 Linköping (Sweden); Lakshmi, G.B.V.S. [Inter-University Accelerator Centre, Aruna Asaf Ali Marg, New Delhi, 110067 (India); Avasthi, D.K. [Inter-University Accelerator Centre, Aruna Asaf Ali Marg, New Delhi, 110067 (India); Amity Institute of Nanotechnology, Noida 201313 (India); Gupta, Vinay [Department of Physics and Astrophysics, University of Delhi, Delhi, 110007 (India); Aziz, Anver; Siddiqui, Azher M. [Department of Physics, Jamia Millia Islamia, New Delhi, 110025 (India); Syväjärvi, Mikael [Department of Physics, Chemistry and Biology, Linköping University, SE-58183 Linköping (Sweden); Yazdi, G. Reza, E-mail: yazdi@ifm.liu.se [Department of Physics, Chemistry and Biology, Linköping University, SE-58183 Linköping (Sweden)

2017-05-01

Highlights: • For the first time the gas sensing application of SHI irradiated epitaxial graphene on SiC is explored. • Surface morphology of irradiated graphene layers showed graphene folding, hillocks, and formation of wrinkles. • Existence of an optimal fluence which maximize the gas sensing response towards NO{sub 2} and NH{sub 3} gases. - Abstract: In this work, surface functionalization of epitaxial graphene grown on silicon carbide was performed by ion irradiation to investigate their gas sensing capabilities. Swift heavy ion irradiation using 100 MeV silver ions at four varying fluences was implemented on epitaxial graphene to investigate morphological and structural changes and their effects on the gas sensing capabilities of graphene. Sensing devices are expected as one of the first electronic applications using graphene and most of them use functionalized surfaces to tailor a certain function. In our case, we have studied irradiation as a tool to achieve functionalization. Morphological and structural changes on epitaxial graphene layers were investigated by atomic force microscopy, Raman spectroscopy, Raman mapping and reflectance mapping. The surface morphology of irradiated graphene layers showed graphene folding, hillocks, and formation of wrinkles at highest fluence (2 × 10{sup 13} ions/cm{sup 2}). Raman spectra analysis shows that the graphene defect density is increased with increasing fluence, while Raman mapping and reflectance mapping show that there is also a reduction of monolayer graphene coverage. The samples were investigated for ammonia and nitrogen dioxide gas sensing applications. Sensors fabricated on pristine and irradiated samples showed highest gas sensing response at an optimal fluence. Our work provides new pathways for introducing defects in controlled manner in epitaxial graphene, which can be used not only for gas sensing application but also for other applications, such as electrochemical, biosensing, magnetosensing and

Surface functionalization of epitaxial graphene on SiC by ion irradiation for gas sensing application

International Nuclear Information System (INIS)

Kaushik, Priya Darshni; Ivanov, Ivan G.; Lin, Pin-Cheng; Kaur, Gurpreet; Eriksson, Jens; Lakshmi, G.B.V.S.; Avasthi, D.K.; Gupta, Vinay; Aziz, Anver; Siddiqui, Azher M.; Syväjärvi, Mikael; Yazdi, G. Reza

2017-01-01

Highlights: • For the first time the gas sensing application of SHI irradiated epitaxial graphene on SiC is explored. • Surface morphology of irradiated graphene layers showed graphene folding, hillocks, and formation of wrinkles. • Existence of an optimal fluence which maximize the gas sensing response towards NO_2 and NH_3 gases. - Abstract: In this work, surface functionalization of epitaxial graphene grown on silicon carbide was performed by ion irradiation to investigate their gas sensing capabilities. Swift heavy ion irradiation using 100 MeV silver ions at four varying fluences was implemented on epitaxial graphene to investigate morphological and structural changes and their effects on the gas sensing capabilities of graphene. Sensing devices are expected as one of the first electronic applications using graphene and most of them use functionalized surfaces to tailor a certain function. In our case, we have studied irradiation as a tool to achieve functionalization. Morphological and structural changes on epitaxial graphene layers were investigated by atomic force microscopy, Raman spectroscopy, Raman mapping and reflectance mapping. The surface morphology of irradiated graphene layers showed graphene folding, hillocks, and formation of wrinkles at highest fluence (2 × 10"1"3 ions/cm"2). Raman spectra analysis shows that the graphene defect density is increased with increasing fluence, while Raman mapping and reflectance mapping show that there is also a reduction of monolayer graphene coverage. The samples were investigated for ammonia and nitrogen dioxide gas sensing applications. Sensors fabricated on pristine and irradiated samples showed highest gas sensing response at an optimal fluence. Our work provides new pathways for introducing defects in controlled manner in epitaxial graphene, which can be used not only for gas sensing application but also for other applications, such as electrochemical, biosensing, magnetosensing and spintronic

Surface functionalization of aluminosilicate nanotubes with organic molecules

Directory of Open Access Journals (Sweden)

Wei Ma

2012-02-01

Full Text Available The surface functionalization of inorganic nanostructures is an effective approach for enriching the potential applications of existing nanomaterials. Inorganic nanotubes attract great research interest due to their one-dimensional structure and reactive surfaces. In this review paper, recent developments in surface functionalization of an aluminosilicate nanotube, “imogolite”, are introduced. The functionalization processes are based on the robust affinity between phosphate groups of organic molecules and the aluminol (AlOH surface of imogolite nanotubes. An aqueous modification process employing a water soluble ammonium salt of alkyl phosphate led to chemisorption of molecules on imogolite at the nanotube level. Polymer-chain-grafted imogolite nanotubes were prepared through surface-initiated polymerization. In addition, the assembly of conjugated molecules, 2-(5’’-hexyl-2,2’:5’,2’’-terthiophen-5-ylethylphosphonic acid (HT3P and 2-(5’’-hexyl-2,2’:5’,2’’-terthiophen-5-ylethylphosphonic acid 1,1-dioxide (HT3OP, on the imogolite nanotube surface was achieved by introducing a phosphonic acid group to the corresponding molecules. The optical and photophysical properties of these conjugated-molecule-decorated imogolite nanotubes were characterized. Moreover, poly(3-hexylthiophene (P3HT chains were further hybridized with HT3P modified imogolite to form a nanofiber hybrid.

A Kind of Nanofluid Consisting of Surface-Functionalized Nanoparticles

Directory of Open Access Journals (Sweden)

Yang Xuefei

2010-01-01

Full Text Available Abstract A method of surface functionalization of silica nanoparticles was used to prepare a kind of stable nanofluid. The functionalization was achieved by grafting silanes directly to the surface of silica nanoparticles in silica solutions (both a commercial solution and a self-made silica solution were used. The functionalized nanoparticles were used to make nanofluids, in which well-dispersed nanoparticles can keep good stability. One of the unique characteristics of the nanofluids is that no deposition layer forms on the heated surface after a pool boiling process. The nanofluids have applicable prospect in thermal engineering fields with the phase-change heat transfer.

Transparent Conducting Oxides for Photovoltaics: Manipulation of Fermi Level, Work Function and Energy Band Alignment

Directory of Open Access Journals (Sweden)

Diana E. Proffit

2010-11-01

Full Text Available Doping limits, band gaps, work functions and energy band alignments of undoped and donor-doped transparent conducting oxides Zn0, In2O3, and SnO2 as accessed by X-ray and ultraviolet photoelectron spectroscopy (XPS/UPS are summarized and compared. The presented collection provides an extensive data set of technologically relevant electronic properties of photovoltaic transparent electrode materials and illustrates how these relate to the underlying defect chemistry, the dependence of surface dipoles on crystallographic orientation and/or surface termination, and Fermi level pinning.

Study of low resistivity and high work function ITO films prepared by oxygen flow rates and N2O plasma treatment for amorphous/crystalline silicon heterojunction solar cells.

Science.gov (United States)

Hussain, Shahzada Qamar; Oh, Woong-Kyo; Kim, Sunbo; Ahn, Shihyun; Le, Anh Huy Tuan; Park, Hyeongsik; Lee, Youngseok; Dao, Vinh Ai; Velumani, S; Yi, Junsin

2014-12-01

Pulsed DC magnetron sputtered indium tin oxide (ITO) films deposited on glass substrates with lowest resistivity of 2.62 x 10(-4) Ω x cm and high transmittance of about 89% in the visible wavelength region. We report the enhancement of ITO work function (Φ(ITO)) by the variation of oxygen (O2) flow rate and N2O surface plasma treatment. The Φ(ITO) increased from 4.43 to 4.56 eV with the increase in O2 flow rate from 0 to 4 sccm while surface treatment of N2O plasma further enhanced the ITO work function to 4.65 eV. The crystallinity of the ITO films improved with increasing O2 flow rate, as revealed by XRD analysis. The ITO work function was increased by the interfacial dipole resulting from the surface rich in O- ions and by the dipole moment formed at the ITO surface during N2O plasma treatment. The ITO films with high work functions can be used to modify the front barrier height in heterojunction with intrinsic thin layer (HIT) solar cells.

The screening effects of the screened exchange hybrid functional in surface systems: A case study on the CO/Pt(111) problem

Energy Technology Data Exchange (ETDEWEB)

Li, H., E-mail: li-huanglong@mail.tsinghua.edu.cn [Department of Precision Instrument, Tsinghua University, Beijing, 100084 (China); Gillen, R. [Institut für Festkörperphysik. Technische Universität Berlin. Hardenbergstr. 36, 10623 Berlin (Germany); Robertson, J., E-mail: jr214@cam.ac.uk [Engineering Department, University of Cambridge, Cambridge CB2 1PZ (United Kingdom)

2016-06-15

The screened exchange (sX) hybrid functional has been widely used in computational material science. Although it has widely been studied in bulk systems, less is known about its functional behavior in surface systems which are crucial to many technologies such as materials synthesis and nano-electronic devices. Assessing the screening dependent functional behaviors in the surface systems is therefore important for its application in such systems. In this work, we investigate the screening effects of the sX in CO adsorption on Pt(111) surface. The differences between the sX and Heyd-Scuseria-Ernzerhof (HSE06) hybrid functionals, and the effects of screening parameters are studied. The screening has two effects: first, the HOMO-LUMO gap is screening dependent. This affects the site preference most significantly. In this work, atop adsorption of CO/Pt(111) is predicted by the hybrid functionals with screened exchange potential. The sX(1.44) gives the largest HOMO-LUMO gap for the isolated CO molecule. The adsorption energy difference between the atop and fcc site is also the largest by the sX(1.44) which is explained by the reduced metal d states to the CO 2π* state back-donation, with stronger effect for the fcc adsorption than for the atop adsorption; second, the adsorption energy is screening dependent. This can be seen by comparing the sX(2.38) and HSE06 which have different screening strengths. They show similar surface band structures for the CO adsorption but different adsorption energies, which is explained by the stronger CO 5σ state to the metal d states donation or the effectively screened Pauli repulsion. This work underlines the screening strength as a main difference between sX and HSE06, as well as an important hybrid functional parameter for surface calculation.

Density Functional Theory Study of Leaching Performance of Different Acids on Pyrochlore (100) Surface

Science.gov (United States)

Yang, Xiuli; Fang, Qing; Ouyang, Hui

2018-06-01

Pyrochlore leaching using hydrofluoric, sulfuric, and hydrochloric acids has been studied via experimental methods for years, but the interactions between niobium atoms on the pyrochlore surface and different acids have not been investigated. In this work, first-principles calculations based on density functional theory were used to elucidate the leaching performance of these three acids from the viewpoint of geometrical and electronic structures. The calculation results indicate that sulfate, chloride, and fluoride anions influence the geometric structure of pyrochlore (100) to different extents, decreasing in the order: sulfate, fluoride, chloride. Orbitals of O1 and O2 atoms of sulfate hybridized with those of surface niobium atom. Fluorine orbitals hybridized with those of surface niobium atoms. However, no obvious overlap exists between any orbitals of chlorine and surface niobium, revealing that chlorine does not interact chemically with surface niobium atoms.

New Functional Tools for Antithrombogenic Activity Assessment of Live Surface Glycocalyx.

Science.gov (United States)

Dimitrievska, Sashka; Gui, Liqiong; Weyers, Amanda; Lin, Tylee; Cai, Chao; Wu, Wei; Tuggle, Charles T; Sundaram, Sumati; Balestrini, Jenna L; Slattery, David; Tchouta, Lise; Kyriakides, Themis R; Tarbell, John M; Linhardt, Robert J; Niklason, Laura E

2016-09-01

It is widely accepted that the presence of a glycosaminoglycan-rich glycocalyx is essential for endothelialized vasculature health; in fact, a damaged or impaired glycocalyx has been demonstrated in many vascular diseases. Currently, there are no methods that characterize glycocalyx functionality, thus limiting investigators' ability to assess the role of the glycocalyx in vascular health. We have developed novel, easy-to-use, in vitro assays that directly quantify live endothelialized surface's functional heparin weights and their anticoagulant capacity to inactivate Factor Xa and thrombin. Using our assays, we characterized 2 commonly used vascular models: native rat aorta and cultured human umbilical vein endothelial cell monolayer. We determined heparin contents to be ≈10 000 ng/cm(2) on the native aorta and ≈10-fold lower on cultured human umbilical vein endothelial cells. Interestingly, human umbilical vein endothelial cells demonstrated a 5-fold lower anticoagulation capacity in inactivating both Factor Xa and thrombin relative to native aortas. We verified the validity and accuracy of the novel assays developed in this work using liquid chromatography-mass spectrometry analysis. Our assays are of high relevance in the vascular community because they can be used to establish the antithrombogenic capacity of many different types of surfaces such as vascular grafts and transplants. This work will also advance the capacity for glycocalyx-targeting therapeutics development to treat damaged vasculatures. © 2016 American Heart Association, Inc.

SURFACE SYMMETRY ENERGY OF NUCLEAR ENERGY DENSITY FUNCTIONALS

Energy Technology Data Exchange (ETDEWEB)

Nikolov, N; Schunck, N; Nazarewicz, W; Bender, M; Pei, J

2010-12-20

We study the bulk deformation properties of the Skyrme nuclear energy density functionals. Following simple arguments based on the leptodermous expansion and liquid drop model, we apply the nuclear density functional theory to assess the role of the surface symmetry energy in nuclei. To this end, we validate the commonly used functional parametrizations against the data on excitation energies of superdeformed band-heads in Hg and Pb isotopes, and fission isomers in actinide nuclei. After subtracting shell effects, the results of our self-consistent calculations are consistent with macroscopic arguments and indicate that experimental data on strongly deformed configurations in neutron-rich nuclei are essential for optimizing future nuclear energy density functionals. The resulting survey provides a useful benchmark for further theoretical improvements. Unlike in nuclei close to the stability valley, whose macroscopic deformability hangs on the balance of surface and Coulomb terms, the deformability of neutron-rich nuclei strongly depends on the surface-symmetry energy; hence, its proper determination is crucial for the stability of deformed phases of the neutron-rich matter and description of fission rates for r-process nucleosynthesis.

Partitioning of functional and taxonomic diversity in surface-associated microbial communities.

Science.gov (United States)

Roth-Schulze, Alexandra J; Zozaya-Valdés, Enrique; Steinberg, Peter D; Thomas, Torsten

2016-12-01

Surfaces, including those submerged in the marine environment, are subjected to constant interactions and colonisation by surrounding microorganisms. The principles that determine the assembly of those epibiotic communities are however poorly understood. In this study, we employed a hierarchical design to assess the functionality and diversity of microbial communities on different types of host surfaces (e.g. macroalgae, seagrasses). We found that taxonomic diversity was unique to each type of host, but that the majority of functions (> 95%) could be found in any given surface community, suggesting a high degree of functional redundancy. However, some community functions were enriched on certain surfaces and were related to host-specific properties (e.g. the degradation of specific polysaccharides). Together these observations support a model, whereby communities on surfaces are assembled from guilds of microorganisms with a functionality that is partitioned into general properties for a surface-associated life-style, but also specific features that mediate host-specificity. © 2016 Society for Applied Microbiology and John Wiley & Sons Ltd.

Image-potential states and work function of graphene

International Nuclear Information System (INIS)

Niesner, Daniel; Fauster, Thomas

2014-01-01

Image-potential states of graphene on various substrates have been investigated by two-photon photoemission and scanning tunneling spectroscopy. They are used as a probe for the graphene-substrate interaction and resulting changes in the (local) work function. The latter is driven by the work function difference between graphene and the substrate. This results in a charge transfer which also contributes to core-level shifts in x-ray photoemission. In this review article, we give an overview over the theoretical models and the experimental data for image-potential states and work function of graphene on various substrates. (topical review)

Bone-like apatite coating on functionalized poly(etheretherketone) surface via tailored silanization layers technique

Energy Technology Data Exchange (ETDEWEB)

Zheng, Yanyan [Chengdu Institute of Organic Chemistry, Chinese Academy of Sciences, Chengdu 610041 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Xiong, Chengdong; Zhang, Shenglan [Chengdu Institute of Organic Chemistry, Chinese Academy of Sciences, Chengdu 610041 (China); Li, Xiaoyu [State Key Laboratory of Oral Diseases, West China Hospital of Stomatology, Sichuan University, Chengdu 610041 (China); Zhang, Lifang, E-mail: zhanglfcioc@163.com [Chengdu Institute of Organic Chemistry, Chinese Academy of Sciences, Chengdu 610041 (China)

2015-10-01

Poly(etheretherketone) (PEEK) is a rigid semi-crystalline polymer with outstanding mechanical properties, bone-like stiffness and suitable biocompatibility that has attracted much interest as a biomaterial for orthopedic and dental implants. However, the bio-inert surface of PEEK limits its biomedical applications when direct osteointegration between the implants and the host tissue is desired. In this work, –PO{sub 4}H{sub 2}, –COOH and –OH groups were introduced on the PEEK surface by further chemical treatments of the vinyl-terminated silanization layers formed on the hydroxylation-pretreated PEEK surface. Both the surface-functionalized and pristine specimens were characterized by X-ray photoelectron spectroscopy (XPS), attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy and water contact angle measurements. When placed in 1.5 strength simulated body fluid (SBF) solution, apatite was observed to form uniformly on the functionalized PEEK surface and firmly attach to the substrate. The characterized results demonstrated that the coating was constituted by poorly crystallized bone-like apatite and the effect of surface functional groups on coating formation was also discussed in detail. In addition, in vitro biocompatibility of PEEK, in terms of pre-osteoblast cell (MC3T3-E1) attachment, spreading and proliferation, was remarkably enhanced by the bone-like apatite coating. Thus, this study provides a method to enhance the bioactivity of PEEK and expand its applications in orthopedic and dental implants. - Highlights: • –PO{sub 4}H{sub 2}, –COOH and –OH groups were successfully introduced onto PEEK surface via tailored silanization layer technique. • Bone-like apatite formed uniformly on surface-functionalized PEEK after immersion in SBF, and tightly adhered to the PEEK. • SEM, EDS, FTIR, XPS and XRD results showed that apatite layer is composed of low-crystalline bone-like apatite. • Bone-like apatite coating

Solubility studies of inorganic–organic hybrid nanoparticle photoresists with different surface functional groups

KAUST Repository

Li, Li

2016-01-01

© 2016 The Royal Society of Chemistry. The solubility behavior of Hf and Zr based hybrid nanoparticles with different surface ligands in different concentrations of photoacid generator as potential EUV photoresists was investigated in detail. The nanoparticles regardless of core or ligand chemistry have a hydrodynamic diameter of 2-3 nm and a very narrow size distribution in organic solvents. The Hansen solubility parameters for nanoparticles functionalized with IBA and 2MBA have the highest contribution from the dispersion interaction than those with tDMA and MAA, which show more polar character. The nanoparticles functionalized with unsaturated surface ligands showed more apparent solubility changes after exposure to DUV than those with saturated ones. The solubility differences after exposure are more pronounced for films containing a higher amount of photoacid generator. The work reported here provides material selection criteria and processing strategies for the design of high performance EUV photoresists.

Study on ceramic breeder and related materials by means of work function measurement under irradiation

International Nuclear Information System (INIS)

Luo, G.N.; Terai, T.; Yamawaki, M.; Yamaguchi, K.

2002-01-01

Ceramic breeder materials, Li 2 O, LiAlO 2 and Li 4 SiO 4 , under irradiation have been studied using a Kelvin probe that measures work function changes of materials. Surface charging was observed to influence greatly the probe output, which can be explained qualitatively employing a model concerning induction electric field due to external field and free charges on ceramic surface. It is found that the insulating ceramics could not be studied properly with the Kelvin probe. A probable solution is to heat the ceramics, so as to raise their electric conductivities high enough to root out the surface charging. Also briefly discussed is the application of the probe to metals under ion irradiation. (orig.)

Improving Assessment of Work Related Mental Health Function Using the Work Disability Functional Assessment Battery (WD-FAB).

Science.gov (United States)

Marfeo, Elizabeth E; Ni, Pengsheng; McDonough, Christine; Peterik, Kara; Marino, Molly; Meterko, Mark; Rasch, Elizabeth K; Chan, Leighton; Brandt, Diane; Jette, Alan M

2018-03-01

Purpose To improve the mental health component of the Work Disability Functional Assessment Battery (WD-FAB), developed for the US Social Security Administration's (SSA) disability determination process. Specifically our goal was to expand the WD-FAB scales of mood & emotions, resilience, social interactions, and behavioral control to improve the depth and breadth of the current scales and expand the content coverage to include aspects of cognition & communication function. Methods Data were collected from a random, stratified sample of 1695 claimants applying for the SSA work disability benefits, and a general population sample of 2025 working age adults. 169 new items were developed to replenish the WD-FAB scales and analyzed using factor analysis and item response theory (IRT) analysis to construct unidimensional scales. We conducted computer adaptive test (CAT) simulations to examine the psychometric properties of the WD-FAB. Results Analyses supported the inclusion of four mental health subdomains: Cognition & Communication (68 items), Self-Regulation (34 items), Resilience & Sociability (29 items) and Mood & Emotions (34 items). All scales yielded acceptable psychometric properties. Conclusions IRT methods were effective in expanding the WD-FAB to assess mental health function. The WD-FAB has the potential to enhance work disability assessment both within the context of the SSA disability programs as well as other clinical and vocational rehabilitation settings.

First principles study of halogens adsorption on intermetallic surfaces

International Nuclear Information System (INIS)

Zhu, Quanxi; Wang, Shao-qing

2016-01-01

Graphical abstract: - Highlights: • The linear relation between adsorbates induced work function change and dipole moment change also exists for intermetallic surfaces. • It is just a common linear relationship rather than a directly proportion. • A new weight parameter β is proposed to describe different factors effect on work function shift. - Abstract: Halides are often present at electrochemical environment, they can directly influence the electrode potential or zero charge potential through the induced work-function change. In this work, we focused in particular on the halogen-induced work function change as a function of the coverage of fluorine, chlorine, bromine and iodine on Al_2Au and Al_2Pt (110) surfaces. Results show that the real relation between work function change and dipole moment change for halogens adsorption on intermetallic surfaces is just a common linear relationship rather than a directly proportion. Besides, the different slopes between fitted lines and the theoretical slope employed in pure metal surfaces demonstrating that the halogens adsorption on intermetallic surfaces are more complicated. We also present a weight parameter β to describe different factors effect on work function shift and finally qualify which factor dominates the shift direction.

Reduced work function of graphene by metal adatoms

Energy Technology Data Exchange (ETDEWEB)

Legesse, Merid; Mellouhi, Fedwa El; Bentria, El Tayeb; Madjet, Mohamed E. [Qatar Environment and Energy Research Institute, Hamad Bin Khalifa University, Doha (Qatar); Fisher, Timothy S. [School of Mechanical Engineering and Birck Nanotechnology Center, Purdue University, West Lafayette, IN 47907 (United States); Kais, Sabre [Qatar Environment and Energy Research Institute, Hamad Bin Khalifa University, Doha (Qatar); Department of Chemistry and Physics, Purdue University, West Lafayette, IN 46323 (United States); College of Science and Engineering, Hamad Bin Khalifa University, Doha (Qatar); Alharbi, Fahhad H., E-mail: falharbi@qf.org.qa [Qatar Environment and Energy Research Institute, Hamad Bin Khalifa University, Doha (Qatar); College of Science and Engineering, Hamad Bin Khalifa University, Doha (Qatar)

2017-02-01

Highlights: • Using DFT, the maximum reduction of graphene workfunction is investigated. This is important for many applications. • The calculations show that the adatoms prefer to relax at hollow sites. • The transfer of electrons from the adatoms to graphene shifts up the Fermi level. So, graphene becomes metallic. • For those dopants that have been used experimentally, the calculations agree with the experimental data. • We found that 8% doping by Cs reduces the work function to 2.05 eV. - Abstract: In this paper, the work function of graphene doped by different metal adatoms and at different concentrations is investigated. Density functional theory is used to maximize the reduction of the work function. In general, the work function drops significantly before reaching saturation. For example in the case of Cs doping, the work function saturates at 2.05 eV with a modest 8% doping. The adsorption of different concentrations on metal adatoms on graphene is also studied. Our calculations show that the adatoms prefer to relax at hollow sites. The transfer of electron from metallic dopants to the graphene for all the studied systems shifts the Fermi energy levels above the Dirac-point and the doped graphenes become metallic. The value of Fermi energy shifts depends on the type of metallic dopants and its concentrations. A detail analysis of the electronic structure in terms of band structure and density of states, absorption energy, and charge transfer for each adatom-graphene system is presented.

Reduced work function of graphene by metal adatoms

International Nuclear Information System (INIS)

Legesse, Merid; Mellouhi, Fedwa El; Bentria, El Tayeb; Madjet, Mohamed E.; Fisher, Timothy S.; Kais, Sabre; Alharbi, Fahhad H.

2017-01-01

Highlights: • Using DFT, the maximum reduction of graphene workfunction is investigated. This is important for many applications. • The calculations show that the adatoms prefer to relax at hollow sites. • The transfer of electrons from the adatoms to graphene shifts up the Fermi level. So, graphene becomes metallic. • For those dopants that have been used experimentally, the calculations agree with the experimental data. • We found that 8% doping by Cs reduces the work function to 2.05 eV. - Abstract: In this paper, the work function of graphene doped by different metal adatoms and at different concentrations is investigated. Density functional theory is used to maximize the reduction of the work function. In general, the work function drops significantly before reaching saturation. For example in the case of Cs doping, the work function saturates at 2.05 eV with a modest 8% doping. The adsorption of different concentrations on metal adatoms on graphene is also studied. Our calculations show that the adatoms prefer to relax at hollow sites. The transfer of electron from metallic dopants to the graphene for all the studied systems shifts the Fermi energy levels above the Dirac-point and the doped graphenes become metallic. The value of Fermi energy shifts depends on the type of metallic dopants and its concentrations. A detail analysis of the electronic structure in terms of band structure and density of states, absorption energy, and charge transfer for each adatom-graphene system is presented.

Oxidation of scandium thin films on tungsten surface

International Nuclear Information System (INIS)

Gorodetskij, D.A.; Martynyuk, A.V.

1988-01-01

Presence of Sc on the surface of W in amounts larger than a monolayer coverage leads to a decrease of the work function at the initial oxidation stage, which is attributed to oxygen implantation into the surface layer of the metal. A subsequent oxidation is followed by the formation on the surface of a thin oxide layer and an increase of the work function. An increase of the amount of Sc deposited on the surface before the oxidation decreases the work function of the obtained oxide from 5.8 (clean W surface) down to 3.3 eV (thick Sc layer on W)

Surface functionalization of 3D glass-ceramic porous scaffolds for enhanced mineralization in vitro

Science.gov (United States)

Ferraris, Sara; Vitale-Brovarone, Chiara; Bretcanu, Oana; Cassinelli, Clara; Vernè, Enrica

2013-04-01

Bone reconstruction after tissue loosening due to traumatic, pathological or surgical causes is in increasing demand. 3D scaffolds are a widely studied solution for supporting new bone growth. Bioactive glass-ceramic porous materials can offer a three-dimensional structure that is able to chemically bond to bone. The ability to surface modify these devices by grafting biologically active molecules represents a challenge, with the aim of stimulating physiological bone regeneration with both inorganic and organic signals. In this research work glass ceramic scaffolds with very high mechanical properties and moderate bioactivity have been functionalized with the enzyme alkaline phosphatase (ALP). The material surface was activated in order to expose hydroxyl groups. The activated surface was further grafted with ALP both via silanization and also via direct grafting to the surface active hydroxyl groups. Enzymatic activity of grafted samples were measured by means of UV-vis spectroscopy before and after ultrasonic washing in TRIS-HCl buffer solution. In vitro inorganic bioactivity was investigated by soaking the scaffolds after the different steps of functionalization in a simulated body fluid (SBF). SEM observations allowed the monitoring of the scaffold morphology and surface chemical composition after soaking in SBF. The presence of ALP enhanced the in vitro inorganic bioactivity of the tested material.

Surface Acoustic Wave (SAW-Enhanced Chemical Functionalization of Gold Films

Directory of Open Access Journals (Sweden)

Gina Greco

2017-10-01

Full Text Available Surface chemical and biochemical functionalization is a fundamental process that is widely applied in many fields to add new functions, features, or capabilities to a material’s surface. Here, we demonstrate that surface acoustic waves (SAWs can enhance the chemical functionalization of gold films. This is shown by using an integrated biochip composed by a microfluidic channel coupled to a surface plasmon resonance (SPR readout system and by monitoring the adhesion of biotin-thiol on the gold SPR areas in different conditions. In the case of SAW-induced streaming, the functionalization efficiency is improved ≈ 5 times with respect to the case without SAWs. The technology here proposed can be easily applied to a wide variety of biological systems (e.g., proteins, nucleic acids and devices (e.g., sensors, devices for cell cultures.

Surface tension of droplets and Tolman lengths of real substances and mixtures from density functional theory

Science.gov (United States)

Rehner, Philipp; Gross, Joachim

2018-04-01

The curvature dependence of interfacial properties has been discussed extensively over the last decades. After Tolman published his work on the effect of droplet size on surface tension, where he introduced the interfacial property now known as Tolman length, several studies were performed with varying results. In recent years, however, some consensus has been reached about the sign and magnitude of the Tolman length of simple model fluids. In this work, we re-examine Tolman's equation and how it relates the Tolman length to the surface tension and we apply non-local classical density functional theory (DFT) based on the perturbed chain statistical associating fluid theory (PC-SAFT) to characterize the curvature dependence of the surface tension of real fluids as well as mixtures. In order to obtain a simple expression for the surface tension, we use a first-order expansion of the Tolman length as a function of droplet radius Rs, as δ(Rs) = δ0 + δ1/Rs, and subsequently expand Tolman's integral equation for the surface tension, whereby a second-order expansion is found to give excellent agreement with the DFT result. The radius-dependence of the surface tension of increasingly non-spherical substances is studied for n-alkanes, up to icosane. The infinite diameter Tolman length is approximately δ0 = -0.38 Å at low temperatures. For more strongly non-spherical substances and for temperatures approaching the critical point, however, the infinite diameter Tolman lengths δ0 turn positive. For mixtures, even if they contain similar molecules, the extrapolated Tolman length behaves strongly non-ideal, implying a qualitative change of the curvature behavior of the surface tension of the mixture.

Functional dynamics of cell surface membrane proteins.

Science.gov (United States)

Nishida, Noritaka; Osawa, Masanori; Takeuchi, Koh; Imai, Shunsuke; Stampoulis, Pavlos; Kofuku, Yutaka; Ueda, Takumi; Shimada, Ichio

2014-04-01

Cell surface receptors are integral membrane proteins that receive external stimuli, and transmit signals across plasma membranes. In the conventional view of receptor activation, ligand binding to the extracellular side of the receptor induces conformational changes, which convert the structure of the receptor into an active conformation. However, recent NMR studies of cell surface membrane proteins have revealed that their structures are more dynamic than previously envisioned, and they fluctuate between multiple conformations in an equilibrium on various timescales. In addition, NMR analyses, along with biochemical and cell biological experiments indicated that such dynamical properties are critical for the proper functions of the receptors. In this review, we will describe several NMR studies that revealed direct linkage between the structural dynamics and the functions of the cell surface membrane proteins, such as G-protein coupled receptors (GPCRs), ion channels, membrane transporters, and cell adhesion molecules. Copyright © 2013 Elsevier Inc. All rights reserved.

Modeling the microstructure of surface by applying BRDF function

Science.gov (United States)

Plachta, Kamil

2017-06-01

The paper presents the modeling of surface microstructure using a bidirectional reflectance distribution function. This function contains full information about the reflectance properties of the flat surfaces - it is possible to determine the share of the specular, directional and diffuse components in the reflected luminous stream. The software is based on the authorial algorithm that uses selected elements of this function models, which allows to determine the share of each component. Basing on obtained data, the surface microstructure of each material can be modeled, which allows to determine the properties of this materials. The concentrator directs the reflected solar radiation onto the photovoltaic surface, increasing, at the same time, the value of the incident luminous stream. The paper presents an analysis of selected materials that can be used to construct the solar concentrator system. The use of concentrator increases the power output of the photovoltaic system by up to 17% as compared to the standard solution.

Surface functionalization by fine ultraviolet-patterning of nanometer-thick liquid lubricant films

International Nuclear Information System (INIS)

Lu, Renguo; Zhang, Hedong; Komada, Suguru; Mitsuya, Yasunaga; Fukuzawa, Kenji; Itoh, Shintaro

2014-01-01

Highlights: • We present fine UV-patterning of nm-thick liquid films for surface functionalization. • The patterned films exhibit both a morphological pattern and a functional pattern of different surface properties. • The finest pattern linewidth was 0.5 μm. • Fine patterning is crucial for improving surface and tribological properties. - Abstract: For micro/nanoscale devices, surface functionalization is essential to achieve function and performance superior to those that originate from the inherent bulk material properties. As a method of surface functionalization, we dip-coated nanometer-thick liquid lubricant films onto solid surfaces and then patterned the lubricant films with ultraviolet (UV) irradiation through a photomask. Surface topography, adhesion, and friction measurements demonstrated that the patterned films feature a concave–convex thickness distribution with thicker lubricant in the irradiated regions and a functional distribution with lower adhesion and friction in the irradiated convex regions. The pattern linewidth ranged from 100 to as fine as 0.5 μm. The surface functionalization effect of UV-patterning was investigated by measuring the water contact angles, surface energies, friction forces, and depletion of the patterned, as-dipped, and full UV-irradiated lubricant films. The full UV-irradiated lubricant film was hydrophobic with a water contact angle of 102.1°, and had lower surface energy, friction, and depletion than the as-dipped film, which was hydrophilic with a water contact angle of 80.7°. This demonstrates that UV irradiation substantially improves the surface and tribological properties of the nanometer-thick liquid lubricant films. The UV-patterned lubricant films exhibited superior surface and tribological properties than the as-dipped film. The water contact angle increased and the surface energy, friction, and depletion decreased as the pattern linewidth decreased. In particular, the 0.5-μm patterned lubricant

Electron work function-a promising guiding parameter for material design.

Science.gov (United States)

Lu, Hao; Liu, Ziran; Yan, Xianguo; Li, Dongyang; Parent, Leo; Tian, Harry

2016-04-14

Using nickel added X70 steel as a sample material, we demonstrate that electron work function (EWF), which largely reflects the electron behavior of materials, could be used as a guide parameter for material modification or design. Adding Ni having a higher electron work function to X70 steel brings more "free" electrons to the steel, leading to increased overall work function, accompanied with enhanced e(-)-nuclei interactions or higher atomic bond strength. Young's modulus and hardness increase correspondingly. However, the free electron density and work function decrease as the Ni content is continuously increased, accompanied with the formation of a second phase, FeNi3, which is softer with a lower work function. The decrease in the overall work function corresponds to deterioration of the mechanical strength of the steel. It is expected that EWF, a simple but fundamental parameter, may lead to new methodologies or supplementary approaches for metallic materials design or tailoring on a feasible electronic base.

Membrane mimetic surface functionalization of nanoparticles: Methods and applications

Science.gov (United States)

Weingart, Jacob; Vabbilisetty, Pratima; Sun, Xue-Long

2013-01-01

Nanoparticles (NPs), due to their size-dependent physical and chemical properties, have shown remarkable potential for a wide range of applications over the past decades. Particularly, the biological compatibilities and functions of NPs have been extensively studied for expanding their potential in areas of biomedical application such as bioimaging, biosensing, and drug delivery. In doing so, surface functionalization of NPs by introducing synthetic ligands and/or natural biomolecules has become a critical component in regards to the overall performance of the NP system for its intended use. Among known examples of surface functionalization, the construction of an artificial cell membrane structure, based on phospholipids, has proven effective in enhancing biocompatibility and has become a viable alternative to more traditional modifications, such as direct polymer conjugation. Furthermore, certain bioactive molecules can be immobilized onto the surface of phospholipid platforms to generate displays more reminiscent of cellular surface components. Thus, NPs with membrane-mimetic displays have found use in a range of bioimaging, biosensing, and drug delivery applications. This review herein describes recent advances in the preparations and characterization of integrated functional NPs covered by artificial cell membrane structures and their use in various biomedical applications. PMID:23688632

Surface functionalization of two-dimensional metal chalcogenides by Lewis acid-base chemistry

Science.gov (United States)

Lei, Sidong; Wang, Xifan; Li, Bo; Kang, Jiahao; He, Yongmin; George, Antony; Ge, Liehui; Gong, Yongji; Dong, Pei; Jin, Zehua; Brunetto, Gustavo; Chen, Weibing; Lin, Zuan-Tao; Baines, Robert; Galvão, Douglas S.; Lou, Jun; Barrera, Enrique; Banerjee, Kaustav; Vajtai, Robert; Ajayan, Pulickel

2016-05-01

Precise control of the electronic surface states of two-dimensional (2D) materials could improve their versatility and widen their applicability in electronics and sensing. To this end, chemical surface functionalization has been used to adjust the electronic properties of 2D materials. So far, however, chemical functionalization has relied on lattice defects and physisorption methods that inevitably modify the topological characteristics of the atomic layers. Here we make use of the lone pair electrons found in most of 2D metal chalcogenides and report a functionalization method via a Lewis acid-base reaction that does not alter the host structure. Atomic layers of n-type InSe react with Ti4+ to form planar p-type [Ti4+n(InSe)] coordination complexes. Using this strategy, we fabricate planar p-n junctions on 2D InSe with improved rectification and photovoltaic properties, without requiring heterostructure growth procedures or device fabrication processes. We also show that this functionalization approach works with other Lewis acids (such as B3+, Al3+ and Sn4+) and can be applied to other 2D materials (for example MoS2, MoSe2). Finally, we show that it is possible to use Lewis acid-base chemistry as a bridge to connect molecules to 2D atomic layers and fabricate a proof-of-principle dye-sensitized photosensing device.

Structuring of Functional Spider Silk Wires, Coatings, and Sheets by Self-Assembly on Superhydrophobic Pillar Surfaces.

Science.gov (United States)

Gustafsson, Linnea; Jansson, Ronnie; Hedhammar, My; van der Wijngaart, Wouter

2018-01-01

Spider silk has recently become a material of high interest for a large number of biomedical applications. Previous work on structuring of silk has resulted in particles (0D), fibers (1D), films (2D), and foams, gels, capsules, or microspheres (3D). However, the manufacturing process of these structures is complex and involves posttreatment of chemicals unsuitable for biological applications. In this work, the self-assembly of recombinant spider silk on micropatterned superhydrophobic surfaces is studied. For the first time, structuring of recombinant spider silk is achieved using superhydrophobic surfaces under conditions that retain the bioactivity of the functionalized silk. By tuning the superhydrophobic surface geometry and the silk solution handling parameters, this approach allows controlled generation of silk coatings, nanowires, and sheets. The underlying mechanisms and governing parameters are discussed. It is believed that the results of this work pave the way for fabrication of silk formations for applications including vehicles for drug delivery, optical sensing, antimicrobial coatings, and cell culture scaffolds. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Water on TiO2 studied by work function change: adsorption in cycles

International Nuclear Information System (INIS)

Bundaleski, Nenad; Silva, Ana G; Jean-Shaw, Bobbie; Teodoro, Orlando; Moutinho, Augusto

2013-01-01

The nature of water adsorption on TiO 2 (110) rutile surface attracts a lot of attention for quite some time. In spite of the considerable experimental and theoretical efforts a lot of details remain unclear. We have been using work function study to follow the adsorption of water on TiO 2 at room temperature, and interpreted the results in terms of fast dissociative adsorption on bridging oxygen vacancies (BOV) and much slower non-dissociative adsorption on Ti 5f rows. Additionally, we concluded that water from Ti 5f rows efficiently desorbs at room temperature which is not the case for BOV adsorption sites. Here we propose a novel experimental approach which consists of monitoring in real-time the work function change during cycles of water adsorption. Since desorption at BOVs does not take place at room temperature, this method allows us to resolve the adsorption dynamics on the two adsorption sites. The first results changed our understanding of the phenomenon: we show that both, adsorption on BOVs and Ti 5f are both very fast. Additionally, slow exponential decay of the work function is observed, which is not directly related to water adsorption. The possible explanation of the third slow contribution could be related to the migration of hydrogen atoms along the bridging oxygen rows.

High-Performance Supercapacitor of Functionalized Carbon Fiber Paper with High Surface Ionic and Bulk Electronic Conductivity: Effect of Organic Functional Groups

International Nuclear Information System (INIS)

Suktha, Phansiri; Chiochan, Poramane; Iamprasertkun, Pawin; Wutthiprom, Juthaporn; Phattharasupakun, Nutthaphon; Suksomboon, Montakan; Kaewsongpol, Tanon; Sirisinudomkit, Pichamon; Pettong, Tanut; Sawangphruk, Montree

2015-01-01

Highlights: • A supercapacitor of organic functionalized carbon fiber paper (f-CFP) exhibits high areal and volumetric capacitances. • The performance of the supercapacitor depends on the organic functional group on the surface of the f-CFP. • Hydroxyl and carboxylic groups modified on the surface of f-CFP have higher pseudocapacitive property than amide and amine functional groups. • The f-CFP exhibits high surface ionic and bulk electrical conductivities. - Abstract: Although carbon fiber paper (CFP) or nonwovens are widely used as a non-corrosive and conductive substrate or current collector in batteries and supercapacitors as well as a gas diffusion layer in proton exchange membrane fuel cells, the CFP cannot store charges due to its poor ionic conductivity and its hydrophobic surface. In this work, the chemically functionalized CFP (f-CFP) consisting of hydroxyl and carboxylic groups on its surface was produced by an oxidation reaction of CFP in a mixed concentrated acid solution of H 2 SO 4 :HNO 3 (3:1 v/v) at 60 °C for 1 h. Other amide and amine groups modified CFP were also synthesized for comparison using a dehydration reaction of carboxylic modified CFP with ethylenediamine and n-butylamine. Interestingly, it was found that hydroxyl and carboxylic groups modified CFP behave as a pseudocapacitor electrode, which can store charges via the surface redox reaction in addition to electrochemical double layer capacitance. The aqueous-based supercapacitor of f-CFP has high areal, volumetric, and specific energy (49.0 μW.h/cm 2 , 1960 mW.h/L, and 5.2 W.h/Kg) and power (3.0 mW/cm 2 , 120 W/L, and 326.2 W/Kg) based on the total geometrical surface area and volume as well as the total weight of positive and negative electrodes. High charge capacity of the f-CFP stems from high ionic charge and pseudocapacitive behavior due to hydroxyl and carboxylic groups on its surface and high bulk electronic conductivity (2.03 mS/cm) due to 1D carbon fiber paper. The

Handling of micro objects: investigation of mechanical gripper functional surfaces

DEFF Research Database (Denmark)

Gegeckaite, Asta; Hansen, Hans Nørgaard; De Chiffre, Leonardo

2007-01-01

between the micro object and the gripper do not allow simple picking and releasing of the object. This effect can be overcome by modifying the functional surface of the gripper. The functional surface of the gripper was modified by different machining techniques. The results of this investigation...

Surface phonons and elastic surface waves

Science.gov (United States)

Büscher, H.; Klein-Heßling, W.; Ludwig, W.

Theoretical investigations on the dynamics of the (001), (110) and (111) surfaces of some cubic metals (Ag, Cu, Ni) will be reviewed. Both, lattice dynamical and continuum theoretical results are obtained via a Green's function formalism. The main attitude of this paper is the comparison of our results with experiments and with results obtained via slab-calculations. The calculation of elastic surface waves has been performed using a modified surface-green-function-matching method. We have used two different approaches of calculation the bulk Green's function (a) using the spectral representation and (b) a method, what works on residues. The investigations are carried out using shortrange phenomenological potentials. The atomic force constants in the first surface layers are modified to describe surface phonon anomalies, observed by experiments. In the case of Ag (100) and Ag(110) we conclude that the detection of odd symmetry shear modes by Erskine et al. [1 a, b] was not very accurate.

Surface phonons and elastic surface waves

International Nuclear Information System (INIS)

Buescher, H.; Klein-Hessling, W.; Ludwig, W.

1993-01-01

Theoretical investigations on the dynamics of the (001), (110) and (111) surfaces of some cubic metals (Ag, Cu, Ni) will be reviewed. Both, lattice dynamical and continuum theoretical results are obtained via a Green's function formalism. The main attitude of this paper is the comparison of our results with experiments and with results obtained via slab-calculations. The calculation of elastic surface waves has been performed using a modified surface-green-function-matching method. We have used two different approaches of calculation the bulk Green's function (a) using the spectral representation and (b) a method, what works on residues. The investigations are carried out using shortrange phenomenological potentials. The atomic force constants in the first surface layers are modified to describe surface phonon anomalies, observed by experiments. In the case of Ag(100) and Ag(110) we conclude that the detection of odd symmetry shear modes by Erskine et al. was not very accurate. (orig.)

Density Functional Theory and Atomic Force Microscopy Study of Oleate Functioned on Siderite Surface

Directory of Open Access Journals (Sweden)

Lixia Li

2018-01-01

Full Text Available Efficiently discovering the interaction of the collector oleate and siderite is of great significance for understanding the inherent function of siderite weakening hematite reverse flotation. For this purpose, investigation of the adsorption behavior of oleate on siderite surface was performed by density functional theory (DFT calculations associating with atomic force microscopy (AFM imaging. The siderite crystal geometry was computationally optimized via convergence tests. Calculated results of the interaction energy and the Mulliken population verified that the collector oleate adsorbed on siderite surface and the covalent bond was established as a result of electrons transferring from O1 atoms (in oleate molecule to Fe1 atoms (in siderite lattice. Therefore, valence-electrons’ configurations of Fe1 and O1 changed into 3d6.514s0.37 and 2s1.832p4.73 from 3d6.214s0.31 and 2s1.83p4.88 correspondingly. Siderite surfaces with or without oleate functioned were examined with the aid of AFM imaging in PeakForce Tapping mode, and the functioned siderite surface was found to be covered by vesicular membrane matters with the average roughness of 16.4 nm assuring the oleate adsorption. These results contributed to comprehending the interaction of oleate and siderite.

Effects of surface functionalization on the electronic and structural properties of carbon nanotubes: A computational approach

Science.gov (United States)

Ribeiro, M. S.; Pascoini, A. L.; Knupp, W. G.; Camps, I.

2017-12-01

Carbon nanotubes (CNTs) have important electronic, mechanical and optical properties. These features may be different when comparing a pristine nanotube with other presenting its surface functionalized. These changes can be explored in areas of research and application, such as construction of nanodevices that act as sensors and filters. Following this idea, in the current work, we present the results from a systematic study of CNT's surface functionalized with hydroxyl and carboxyl groups. Using the entropy as selection criterion, we filtered a library of 10k stochastically generated complexes for each functional concentration (5, 10, 15, 20 and 25%). The structurally related parameters (root-mean-square deviation, entropy, and volume/area) have a monotonic relationship with functionalization concentration. Differently, the electronic parameters (frontier molecular orbital energies, electronic gap, molecular hardness, and electrophilicity index) present and oscillatory behavior. For a set of concentrations, the nanotubes present spin polarized properties that can be used in spintronics.

Permanent isolation surface barrier: Functional performance

International Nuclear Information System (INIS)

Wing, N.R.

1993-10-01

This document presents the functional performance parameters for permanent isolation surface barriers. Permanent isolation surface barriers have been proposed for use at the Hanford Site (and elsewhere) to isolate and dispose of certain types of waste in place. Much of the waste that would be disposed of using in-place isolation techniques is located in subsurface structures, such as solid waste burial grounds, tanks, vaults, and cribs. Unless protected in some way, the wastes could be transported to the accessible environment via transport pathways, such as water infiltration, biointrusion, wind and water erosion, human interference, and/or gaseous release

U-Shaped and Surface Functionalized Polymer Optical Fiber Probe for Glucose Detection.

Science.gov (United States)

Azkune, Mikel; Ruiz-Rubio, Leire; Aldabaldetreku, Gotzon; Arrospide, Eneko; Pérez-Álvarez, Leyre; Bikandi, Iñaki; Zubia, Joseba; Vilas-Vilela, Jose Luis

2017-12-25

In this work we show an optical fiber evanescent wave absorption probe for glucose detection in different physiological media. High selectivity is achieved by functionalizing the surface of an only-core poly(methyl methacrylate) (PMMA) polymer optical fiber with phenilboronic groups, and enhanced sensitivity by using a U-shaped geometry. Employing a supercontinuum light source and a high-resolution spectrometer, absorption measurements are performed in the broadband visible light spectrum. Experimental results suggest the feasibility of such a fiber probe as a low-cost and selective glucose detector.

An investigation of the functional groups on the surface of activated carbons

Directory of Open Access Journals (Sweden)

MARYTE DERVINYTE

2004-05-01

Full Text Available Activated carbons were produced in the laboratory from wood using a 20-run Plackett–Burman experimental design for 19 factors. The obtained batches of activated carbon were analysed by potentiometric titration and FTIR spectroscopy to determine the surface functional groups. The results obtained by potentiometric titration displayed the distribution of individual acidity constants of those groups in the pK range. Considering this parameter, the surface functional groups were divided into carboxyl, lactone and phenol. The linear regression equations reflecting the influence of each operation used for the synthesis on the amount of these functional groups in the obtained activated carbons were generated. The FTIR spectra were used in parallel for the evaluation of the amount and the type of the surface functional groups. Relationships between the two data sets obtained by potentiometric titration and FTIR spectroscopy were evaluated by correlation analysis. It was established that the amount of surface functional groups determined by potentiometric titration positively correlates with the intensity of the peaks of hydrophilic functional groups in the FTIR spectra. At the same time, the negative correlation between potentiometrically determined amount of surface functional groups and the intensity of peaks of hydrophobic functional groups was observed. Most probably, these non-polar formations can take part in the interaction of carbon surface with H+/OH- ions and diminish the strength of existent functional groups.

Work function and quantum efficiency study of metal oxide thin films on Ag(100)

Science.gov (United States)

Chang, V.; Noakes, T. C. Q.; Harrison, N. M.

2018-04-01

Increasing the quantum efficiency (QE) of metal photocathodes is in the design and development of photocathodes for free-electron laser applications. The growth of metal oxide thin films on certain metal surfaces has previously been shown to reduce the work function (WF). Using a photoemission model B. Camino et al. [Comput. Mater. Sci. 122, 331 (2016), 10.1016/j.commatsci.2016.05.025] based on the three-step model combined with density functional theory calculations we predict that the growth of a finite number of MgO(100) or BaO(100) layers on the Ag(100) surface increases significantly the QE compared with the clean Ag(100) surface for a photon energy of 4.7 eV. Different mechanisms for affecting the QE are identified for the different metal oxide thin films. The addition of MgO(100) increases the QE due to the reduction of the WF and the direct excitation of electrons from the Ag surface to the MgO conduction band. For BaO(100) thin films, an additional mechanism is in operation as the oxide film also photoemits at this energy. We also note that a significant increase in the QE for photons with an energy of a few eV above the WF is achieved due to an increase in the inelastic mean-free path of the electrons.

Direct quantification of negatively charged functional groups on membrane surfaces

KAUST Repository

Tiraferri, Alberto

2012-02-01

Surface charge plays an important role in membrane-based separations of particulates, macromolecules, and dissolved ionic species. In this study, we present two experimental methods to determine the concentration of negatively charged functional groups at the surface of dense polymeric membranes. Both techniques consist of associating the membrane surface moieties with chemical probes, followed by quantification of the bound probes. Uranyl acetate and toluidine blue O dye, which interact with the membrane functional groups via complexation and electrostatic interaction, respectively, were used as probes. The amount of associated probes was quantified using liquid scintillation counting for uranium atoms and visible light spectroscopy for the toluidine blue dye. The techniques were validated using self-assembled monolayers of alkanethiols with known amounts of charged moieties. The surface density of negatively charged functional groups of hand-cast thin-film composite polyamide membranes, as well as commercial cellulose triacetate and polyamide membranes, was quantified under various conditions. Using both techniques, we measured a negatively charged functional group density of 20-30nm -2 for the hand-cast thin-film composite membranes. The ionization behavior of the membrane functional groups, determined from measurements with toluidine blue at varying pH, was consistent with published data for thin-film composite polyamide membranes. Similarly, the measured charge densities on commercial membranes were in general agreement with previous investigations. The relative simplicity of the two methods makes them a useful tool for quantifying the surface charge concentration of a variety of surfaces, including separation membranes. © 2011 Elsevier B.V.

Density functional theory study of chemical sensing on surfaces of single-layer MoS2 and graphene

International Nuclear Information System (INIS)

Mehmood, F.; Pachter, R.

2014-01-01

In this work, density functional theory (DFT) calculations have been used to investigate chemical sensing on surfaces of single-layer MoS 2 and graphene, considering the adsorption of the chemical compounds triethylamine, acetone, tetrahydrofuran, methanol, 2,4,6-trinitrotoluene, o-nitrotoluene, o-dichlorobenzene, and 1,5-dicholoropentane. Physisorption of the adsorbates on free-standing surfaces was analyzed in detail for optimized material structures, considering various possible adsorption sites. Similar adsorption characteristics for the two surface types were demonstrated, where inclusion of a correction to the DFT functional for London dispersion was shown to be important to capture interactions at the interface of molecular adsorbate and surface. Charge transfer analyses for adsorbed free-standing surfaces generally demonstrated very small effects. However, charge transfer upon inclusion of the underlying SiO 2 substrate rationalized experimental observations for some of the adsorbates considered. A larger intrinsic response for the electron-donor triethylamine adsorbed on MoS 2 as compared to graphene was demonstrated, which may assist in devising chemical sensors for improved sensitivity

Towards a sustainable healthy working life : associations between chronological age, functional age and work outcomes

NARCIS (Netherlands)

Koolhaas, Wendy; van der Klink, Jac J. L.; Groothoff, Johan W.; Brouwer, Sandra

Background: The aims of this study were: (i) to determine the relation between chronological and functional age; (ii) to examine the association between chronological age and work outcomes; and (iii) to examine the association between functional age and work outcomes. An overview of the most

Calibrated work function mapping by Kelvin probe force microscopy

Science.gov (United States)

Fernández Garrillo, Pablo A.; Grévin, Benjamin; Chevalier, Nicolas; Borowik, Łukasz

2018-04-01

We propose and demonstrate the implementation of an alternative work function tip calibration procedure for Kelvin probe force microscopy under ultrahigh vacuum, using monocrystalline metallic materials with known crystallographic orientation as reference samples, instead of the often used highly oriented pyrolytic graphite calibration sample. The implementation of this protocol allows the acquisition of absolute and reproducible work function values, with an improved uncertainty with respect to unprepared highly oriented pyrolytic graphite-based protocols. The developed protocol allows the local investigation of absolute work function values over nanostructured samples and can be implemented in electronic structures and devices characterization as demonstrated over a nanostructured semiconductor sample presenting Al0.7Ga0.3As and GaAs layers with variable thickness. Additionally, using our protocol we find that the work function of annealed highly oriented pyrolytic graphite is equal to 4.6 ± 0.03 eV.

Working memory overload: fronto-limbic interactions and effects on subsequent working memory function.

Science.gov (United States)

Yun, Richard J; Krystal, John H; Mathalon, Daniel H

2010-03-01

The human working memory system provides an experimentally useful model for examination of neural overload effects on subsequent functioning of the overloaded system. This study employed functional magnetic resonance imaging in conjunction with a parametric working memory task to characterize the behavioral and neural effects of cognitive overload on subsequent cognitive performance, with particular attention to cognitive-limbic interactions. Overloading the working memory system was associated with varying degrees of subsequent decline in performance accuracy and reduced activation of brain regions central to both task performance and suppression of negative affect. The degree of performance decline was independently predicted by three separate factors operating during the overload condition: the degree of task failure, the degree of amygdala activation, and the degree of inverse coupling between the amygdala and dorsolateral prefrontal cortex. These findings suggest that vulnerability to overload effects in cognitive functioning may be mediated by reduced amygdala suppression and subsequent amygdala-prefrontal interaction.

Electroless oxidation of diamond surfaces in ceric and ferricyanide solutions: An easy way to produce 'C-O' functional groups

Energy Technology Data Exchange (ETDEWEB)

Simon, N., E-mail: nathalie.simon@uvsq.f [Institut Lavoisier de Versailles, UMR 8180, Universite de Versailles-St-Quentin en Yvelines, 45 avenue des Etats Unis, 78000 Versailles (France); Charrier, G.; Etcheberry, A. [Institut Lavoisier de Versailles, UMR 8180, Universite de Versailles-St-Quentin en Yvelines, 45 avenue des Etats Unis, 78000 Versailles (France)

2010-08-01

Despite many works are devoted to oxidation of diamond surfaces, it is still a challenge, to successfully produce well defined 'C-O' functions, particularly for functionalization purposes. In this paper we describe and compare, for the first time, the 'electroless' oxidation of as-deposited polycrystalline boron-doped diamond (BDD) films in ceric and ferricyanide solutions at room temperature. Both reactions efficiently generate oxygen functionalities on BDD surface. While a higher amount of 'C-O' moieties is produced with Ce{sup 4+} as oxidizing agent, the use of ferricyanide specie seems the most interesting to specifically generate hydroxyl groups. Additionally, this easy to perform oxidative method appears not damaging for diamond surfaces and adapted to conductive or non-conductive materials. The resulting surfaces were characterized using X-ray photoelectron spectroscopy, contact angle and capacitance-voltage analysis.

Functionality of novel black silicon based nanostructured surfaces studied by TOF SIMS

DEFF Research Database (Denmark)

Talian, Ivan; Aranyosiova, M.; Orinak, A.

2010-01-01

A functionality of the novel black silicon based nanostructured surfaces (BS 2) with different metal surface modifications was tested by time-of-flight secondary ion mass spectrometry (TOF SIMS). Mainly two surface functions were studied: analytical signal enhancement and analyte pre-ionization e......A functionality of the novel black silicon based nanostructured surfaces (BS 2) with different metal surface modifications was tested by time-of-flight secondary ion mass spectrometry (TOF SIMS). Mainly two surface functions were studied: analytical signal enhancement and analyte pre......-ionization effect in SIMS due to nanostructure type and the assistance of the noble metal surface coating (Ag or Au) for secondary ion formation. As a testing analyte a Rhodamine 6G was applied. Bi+ has been used as SIMS primary ions. It was found out that SIMS signal enhancement of the analyte significantly...... depends on Ag layer thickness and measured ion mode (negative, positive). The best SIMS signal enhancement was obtained at BS2 surface coated with 400 nm of Ag layer. SIMS fragmentation schemes were developed for a model analyte deposited onto a silver and gold surface. Significant differences in pre...

Functional MR imaging of working memory before neurosurgery

International Nuclear Information System (INIS)

Wunderlich, A.P.; Groen, G.; Braun, V.

2007-01-01

Information concerning the tissue adjacent to a brain tumour is crucial for planning and performing a neurosurgical intervention. In this study, we evaluated the usefulness of functional imaging of working memory in terms of working memory preservation. Working memory performance of 14 patients with prefrontal tumours was tested preoperatively by means of a standardized neuropsychological test battery. Also, functional magnetic resonance imaging (fMRI) using a so-called two-back paradigm was performed to visualize brain areas related to that task. Working memory areas were reliably detected in all patients. Surgery was then planned on the basis of this information, and the data were used for intra-operative cranial neuronavigation. Three to twelve months after surgery, patients were tested again with the test battery in order to detect possible changes in working memory performance. In 13 cases the memory performance was unchanged, only one female patient had a slight impairment of working memory compared to the pre-operative status. (orig.)

Surface interpolation with radial basis functions for medical imaging

International Nuclear Information System (INIS)

Carr, J.C.; Beatson, R.K.; Fright, W.R.

1997-01-01

Radial basis functions are presented as a practical solution to the problem of interpolating incomplete surfaces derived from three-dimensional (3-D) medical graphics. The specific application considered is the design of cranial implants for the repair of defects, usually holes, in the skull. Radial basis functions impose few restrictions on the geometry of the interpolation centers and are suited to problems where interpolation centers do not form a regular grid. However, their high computational requirements have previously limited their use to problems where the number of interpolation centers is small (<300). Recently developed fast evaluation techniques have overcome these limitations and made radial basis interpolation a practical approach for larger data sets. In this paper radial basis functions are fitted to depth-maps of the skull's surface, obtained from X-ray computed tomography (CT) data using ray-tracing techniques. They are used to smoothly interpolate the surface of the skull across defect regions. The resulting mathematical description of the skull's surface can be evaluated at any desired resolution to be rendered on a graphics workstation or to generate instructions for operating a computer numerically controlled (CNC) mill

Effect of Cs and Li atom adsorption on MgO: Secondary emission and work function

International Nuclear Information System (INIS)

Bagraev, N.T.; Borisov, V.L.

1980-01-01

Adsorption of Cs and Li atoms on the surface of single crystal magnesium oxide films has been investigated using Auger, LEED and contact difference techniques. A decreased work function for a single crystal MgO film grown on the Mo (100) face was observed to be accompanied by an increased secondary electron emission yield shown to be due to a larger escape depth for secondary electrons. LEED showed well ordered layers of adsorbed Cs on the MgO film surface. A model to explain the behaviour of Cs atoms on the film surface is proposed. It is shown that the stability of the Cs coating is not dependent on a prolonged bombardment of the film by incident electron beams of high current density. Depositing and implanting of thin single crystal MgO films with Li were found to result in an increased secondary electron emission yield, with Li adsorption on the MgO film surface being disordered. (orig.)

Predictors of impaired work functioning in employees with major depression in remission.

Science.gov (United States)

de Vries, Gabe; Koeter, Maarten W J; Nieuwenhuijsen, Karen; Hees, Hiske L; Schene, Aart H

2015-10-01

This study aims to (i) assess work functioning in employees returning to work with a major depression in remission, (ii) study the predictors of impaired work functioning. Participants diagnosed with major depressive disorder (MDD), on long term sick leave (mean 27 weeks) and treated in a specialized mental healthcare setting, were selected from an intervention study sample. They were eligible for this study if they were remitted from their depression and had returned to work for at least 50% of their contract hours at 18 month follow-up. Work functioning was assessed with the Work Limitations Questionnaire (WLQ) and the Need For Recovery scale (NFR). Potential predictors of impaired work functioning were demographic characteristics (assessed at baseline), health characteristics (assessed at baseline, six and twelve month follow-up), and personality- and work characteristics (assessed at 18 month follow-up). After their return to work with MDD in remission, employees were on average still impaired in their work functioning. Personality characteristics were the strongest predictor of this impaired work functioning, followed by health and work characteristics. In the final prediction model, only a passive reaction coping style remained as predictor. We used self-report data with respect to work functioning and work characteristics and not an assessment by a supervisor. Personality trait, coping style, and ability to manage the work environment should be addressed in mental health and return-to-work interventions. Subsequent improved work functioning may be beneficial for mental health and may reduce societal costs. Copyright © 2015 Elsevier B.V. All rights reserved.

Enhanced surface functionality via plasma modification and plasma deposition techniques to create more biologically relevant materials

Science.gov (United States)

Shearer, Jeffrey C.

Functionalizing nanoparticles and other unusually shaped substrates to create more biologically relevant materials has become central to a wide range of research programs. One of the primary challenges in this field is creating highly functionalized surfaces without modifying the underlying bulk material. Traditional wet chemistry techniques utilize thin film depositions to functionalize nanomaterials with oxygen and nitrogen containing functional groups, such as --OH and --NHx. These functional groups can serve to create surfaces that are amenable to cell adhesion or can act as reactive groups for further attachment of larger structures, such as macromolecules or antiviral agents. Additional layers, such as SiO2, are often added between the nanomaterial and the functionalized coating to act as a barrier films, adhesion layers, and to increase overall hydrophilicity. However, some wet chemistry techniques can damage the bulk material during processing. This dissertation examines the use of plasma processing as an alternative method for producing these highly functionalized surfaces on nanoparticles and polymeric scaffolds through the use of plasma modification and plasma enhanced chemical vapor deposition techniques. Specifically, this dissertation will focus on (1) plasma deposition of SiO2 barrier films on nanoparticle substrates; (2) surface functionalization of amine and alcohol groups through (a) plasma co-polymerization and (b) plasma modification; and (3) the design and construction of plasma hardware to facilitate plasma processing of nanoparticles and polymeric scaffolds. The body of work presented herein first examines the fabrication of composite nanoparticles by plasma processing. SiOxC y and hexylamine films were coated onto TiO2 nanoparticles to demonstrate enhanced water dispersion properties. Continuous wave and pulsed allyl alcohol plasmas were used to produce highly functionalized Fe2 O3 supported nanoparticles. Specifically, film composition was

Changes in work function due to NO2 adsorption on monolayer and bilayer epitaxial graphene on SiC(0001)

Science.gov (United States)

Caffrey, Nuala M.; Armiento, Rickard; Yakimova, Rositsa; Abrikosov, Igor A.

2016-11-01

The electronic properties of monolayer graphene grown epitaxially on SiC(0001) are known to be highly sensitive to the presence of NO2 molecules. The presence of small areas of bilayer graphene, on the other hand, considerably reduces the overall sensitivity of the surface. We investigate how NO2 molecules interact with monolayer and bilayer graphene, both free-standing and on a SiC(0001) substrate. We show that it is necessary to explicitly include the effect of the substrate in order to reproduce the experimental results. When monolayer graphene is present on SiC, there is a large charge transfer from the interface between the buffer layer and the SiC substrate to the molecule. As a result, the surface work function increases by 0.9 eV after molecular adsorption. A graphene bilayer is more effective at screening this interfacial charge, and so the charge transfer and change in work function after NO2 adsorption is much smaller.

Functional Requirements for an Electronic Work Package System

Energy Technology Data Exchange (ETDEWEB)

Oxstrand, Johanna H. [Idaho National Lab. (INL), Idaho Falls, ID (United States)

2016-12-01

This document provides a set of high level functional requirements for a generic electronic work package (eWP) system. The requirements have been identified by the U.S. nuclear industry as a part of the Nuclear Electronic Work Packages - Enterprise Requirements (NEWPER) initiative. The functional requirements are mainly applied to eWP system supporting Basic and Moderate types of smart documents, i.e., documents that have fields for recording input such as text, dates, numbers, and equipment status, and documents which incorporate additional functionalities such as form field data “type“ validation (e.g. date, text, number, and signature) of data entered and/or self-populate basic document information (usually from existing host application meta data) on the form when the user first opens it. All the requirements are categorized by the roles; Planner, Supervisor, Craft, Work Package Approval Reviewer, Operations, Scheduling/Work Control, and Supporting Functions. The categories Statistics, Records, Information Technology are also included used to group the requirements. All requirements are presented in Section 2 through Section 11. Examples of more detailed requirements are provided for the majority of high level requirements. These examples are meant as an inspiration to be used as each utility goes through the process of identifying their specific requirements. The report’s table of contents provides a summary of the high level requirements.

Meromorphic functions and cohomology on a Riemann surface

International Nuclear Information System (INIS)

Gomez-Mont, X.

1989-01-01

The objective of this set of notes is to introduce a series of concepts of Complex Analytic Geometry on a Riemann Surface. We motivate the introduction of cohomology groups through the analysis of meromorphic functions. We finish by showing that the set of infinitesimal deformations of a Riemann surface (the tangent space to Teichmueller space) may be computed as a Cohomology group. (author). 6 refs

Temperature dependence of the work function of ruthenium-based gate electrodes

International Nuclear Information System (INIS)

Alshareef, H.N.; Wen, H.C.; Luan, H.F.; Choi, K.; Harris, H.R.; Senzaki, Y.; Majhi, P.; Lee, B.H.; Foran, B.; Lian, G.

2006-01-01

The effect of device fabrication temperature on the work function of ruthenium (Ru) metal gate and its bilayers was investigated. The work function shows strong temperature dependence when Ru electrodes are deposited on silicon oxide, SiO 2 , but not on hafnium silicates (HfSiO x ). Specifically, the work function of Ru on SiO 2 increased from 4.5 eV at 500 deg. C to 5.0 eV at 700 deg. C. On further annealing to 900 deg. C or higher, the work function dropped to about 4.4 eV. In the case of HfSiO x , the work function of Ru changed by less than 100 mV over the same temperature range. Identical temperature dependence was observed using hafnium (Hf)/Ru and tantalum (Ta)/Ru bilayers. However, the peak values of the work function decreased with increasing Hf/Ru and Ta/Ru thickness ratios. Materials analysis suggests that these trends are driven by interactions at the Ru metal gate-dielectric interface

Neurodegenerative disease mutations in TREM2 reveal a functional surface and distinct loss-of-function mechanisms

Energy Technology Data Exchange (ETDEWEB)

Kober, Daniel L.; Alexander-Brett, Jennifer M.; Karch, Celeste M.; Cruchaga, Carlos; Colonna, Marco; Holtzman, Michael J.; Brett, Thomas J. (WU-MED)

2016-12-20

Genetic variations in the myeloid immune receptor TREM2 are linked to several neurodegenerative diseases. To determine how TREM2 variants contribute to these diseases, we performed structural and functional studies of wild-type and variant proteins. Our 3.1 Å TREM2 crystal structure revealed that mutations found in Nasu-Hakola disease are buried whereas Alzheimer’s disease risk variants are found on the surface, suggesting that these mutations have distinct effects on TREM2 function. Biophysical and cellular methods indicate that Nasu-Hakola mutations impact protein stability and decrease folded TREM2 surface expression, whereas Alzheimer’s risk variants impact binding to a TREM2 ligand. Additionally, the Alzheimer’s risk variants appear to epitope map a functional surface on TREM2 that is unique within the larger TREM family. These findings provide a guide to structural and functional differences among genetic variants of TREM2, indicating that therapies targeting the TREM2 pathway should be tailored to these genetic and functional differences with patient-specific medicine approaches for neurodegenerative disorders.

Development of Functional Surfaces on High-Density Polyethylene (HDPE) via Gas-Assisted Etching (GAE) Using Focused Ion Beams.

Science.gov (United States)

Sezen, Meltem; Bakan, Feray

2015-12-01

Irradiation damage, caused by the use of beams in electron and ion microscopes, leads to undesired physical/chemical material property changes or uncontrollable modification of structures. Particularly, soft matter such as polymers or biological materials is highly susceptible and very much prone to react on electron/ion beam irradiation. Nevertheless, it is possible to turn degradation-dependent physical/chemical changes from negative to positive use when materials are intentionally exposed to beams. Especially, controllable surface modification allows tuning of surface properties for targeted purposes and thus provides the use of ultimate materials and their systems at the micro/nanoscale for creating functional surfaces. In this work, XeF2 and I2 gases were used in the focused ion beam scanning electron microscope instrument in combination with gallium ion etching of high-density polyethylene surfaces with different beam currents and accordingly different gas exposure times resulting at the same ion dose to optimize and develop new polymer surface properties and to create functional polymer surfaces. Alterations in the surface morphologies and surface chemistry due to gas-assisted etching-based nanostructuring with various processing parameters were tracked using high-resolution SEM imaging, complementary energy-dispersive spectroscopic analyses, and atomic force microscopic investigations.

Lowering the density of electronic defects on organic-functionalized Si(100) surfaces

International Nuclear Information System (INIS)

Peng, Weina; DeBenedetti, William J. I.; Kim, Seonjae; Chabal, Yves J.; Hines, Melissa A.

2014-01-01

The electrical quality of functionalized, oxide-free silicon surfaces is critical for chemical sensing, photovoltaics, and molecular electronics applications. In contrast to Si/SiO 2 interfaces, the density of interface states (D it ) cannot be reduced by high temperature annealing because organic layers decompose above 300 °C. While a reasonable D it is achieved on functionalized atomically flat Si(111) surfaces, it has been challenging to develop successful chemical treatments for the technologically relevant Si(100) surfaces. We demonstrate here that recent advances in the chemical preparation of quasi-atomically-flat, H-terminated Si(100) surfaces lead to a marked suppression of electronic states of functionalized surfaces. Using a non-invasive conductance-voltage method to study functionalized Si(100) surfaces with varying roughness, a D it as low as 2.5 × 10 11  cm −2 eV −1 is obtained for the quasi-atomically-flat surfaces, in contrast to >7 × 10 11  cm −2 eV −1 on atomically rough Si(100) surfaces. The interfacial quality of the organic/quasi-atomically-flat Si(100) interface is very close to that obtained on organic/atomically flat Si(111) surfaces, opening the door to applications previously thought to be restricted to Si(111)

Smart biomaterials: Surfaces functionalized with proteolytically stable osteoblast-adhesive peptides

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Annj Zamuner

2017-09-01

Full Text Available Engineered scaffolds for bone tissue regeneration are designed to promote cell adhesion, growth, proliferation and differentiation. Recently, covalent and selective functionalization of glass and titanium surfaces with an adhesive peptide (HVP mapped on [351–359] sequence of human Vitronectin allowed to selectively increase osteoblast attachment and adhesion strength in in vitro assays, and to promote osseointegration in in vivo studies. For the first time to our knowledge, in this study we investigated the resistance of adhesion sequences to proteolytic digestion: HVP was completely cleaved after 5 h. In order to overcome the enzymatic degradation of the native peptide under physiological conditions we synthetized three analogues of HVP sequence. A retro-inverted peptide D-2HVP, composed of D amino acids, was completely stable in serum-containing medium. In addition, glass surfaces functionalized with D-2HVP increased human osteoblast adhesion as compared to the native peptide and maintained deposition of calcium. Interestingly, D-2HVP increased expression of IBSP, VTN and SPP1 genes as compared to HVP functionalized surfaces. Total internal reflection fluorescence microscope analysis showed cells with numerous filopodia spread on D-2HVP-functionalized surfaces. Therefore, the D-2HVP sequence is proposed as new osteoblast adhesive peptide with increased bioactivity and high proteolytic resistance.

Smart biomaterials: Surfaces functionalized with proteolytically stable osteoblast-adhesive peptides.

Science.gov (United States)

Zamuner, Annj; Brun, Paola; Scorzeto, Michele; Sica, Giuseppe; Castagliuolo, Ignazio; Dettin, Monica

2017-09-01

Engineered scaffolds for bone tissue regeneration are designed to promote cell adhesion, growth, proliferation and differentiation. Recently, covalent and selective functionalization of glass and titanium surfaces with an adhesive peptide (HVP) mapped on [351-359] sequence of human Vitronectin allowed to selectively increase osteoblast attachment and adhesion strength in in vitro assays, and to promote osseointegration in in vivo studies. For the first time to our knowledge, in this study we investigated the resistance of adhesion sequences to proteolytic digestion: HVP was completely cleaved after 5 h. In order to overcome the enzymatic degradation of the native peptide under physiological conditions we synthetized three analogues of HVP sequence. A retro-inverted peptide D-2HVP, composed of D amino acids, was completely stable in serum-containing medium. In addition, glass surfaces functionalized with D-2HVP increased human osteoblast adhesion as compared to the native peptide and maintained deposition of calcium. Interestingly, D-2HVP increased expression of IBSP, VTN and SPP1 genes as compared to HVP functionalized surfaces. Total internal reflection fluorescence microscope analysis showed cells with numerous filopodia spread on D-2HVP-functionalized surfaces. Therefore, the D-2HVP sequence is proposed as new osteoblast adhesive peptide with increased bioactivity and high proteolytic resistance.

Template-controlled mineralization: Determining film granularity and structure by surface functionality patterns

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Nina J. Blumenstein

2015-08-01

Full Text Available We present a promising first example towards controlling the properties of a self-assembling mineral film by means of the functionality and polarity of a substrate template. In the presented case, a zinc oxide film is deposited by chemical bath deposition on a nearly topography-free template structure composed of a pattern of two self-assembled monolayers with different chemical functionality. We demonstrate the template-modulated morphological properties of the growing film, as the surface functionality dictates the granularity of the growing film. This, in turn, is a key property influencing other film properties such as conductivity, piezoelectric activity and the mechanical properties. A very pronounced contrast is observed between areas with an underlying fluorinated, low energy template surface, showing a much more (almost two orders of magnitude coarse-grained film with a typical agglomerate size of around 75 nm. In contrast, amino-functionalized surface areas induce the growth of a very smooth, fine-grained surface with a roughness of around 1 nm. The observed influence of the template on the resulting clear contrast in morphology of the growing film could be explained by a contrast in surface adhesion energies and surface diffusion rates of the nanoparticles, which nucleate in solution and subsequently deposit on the functionalized substrate.

Straightforward and robust synthesis of monodisperse surface-functionalized gold nanoclusters

Directory of Open Access Journals (Sweden)

Silvia Varela-Aramburu

2016-09-01

Full Text Available Gold nanoclusters are small (1–3 nm nanoparticles with a high surface area that are useful for biomedical studies and drug delivery. The synthesis of small, surface-functionalized gold nanoclusters is greatly dependent on the reaction conditions. Here, we describe a straightforward, efficient and robust room temperature one-pot synthesis of 2 nm gold nanoclusters using thioglucose as a reducing and stabilizing agent, which was discovered by serendipity. The resultant monodisperse gold nanoclusters are more stable than those generated using some other common methods. The carboxylic acid contained in the stabilizing agent on the cluster surface serves as anchor for nanocluster functionalization. Alternatively, the addition of thiols serves to functionalize the nanoclusters. The resulting non-cytotoxic nanoclusters are taken up by cells and constitute a tuneable platform for biomedical applications including drug delivery.

Functional anatomy and immunological interactions of ocular surface and adnexa.

Science.gov (United States)

Paulsen, Friedrich

2008-01-01

This chapter gives an overview about the structures and physiology of the ocular surface and its adnexa and focuses in a second part on the possible meaning of eye-associated lymphoid tissue (EALT) in a context with the development of dry eye. Sections deal with (1) anatomy of the ocular surface, lacrimal gland, eyelid and nasolacrimal ducts. (2) The meaning and importance of the lacrimal functional unit and the function of the mucosal innate immune system are briefly summarized. (3) Finally, the occurrence and the possible function of EALT is discussed with regard to tolerance induction and dry eye. The epithelial surface of the eye and its specialized glandular infoldings produce the components of the tear film, which include water, protective antimicrobials, cytokines, lipids as well as mucins and trefoil factor family (TFF) peptides. Antimicrobials, mucins and TFF peptides perform a number of essential functions which, collectively, provide protection of the ocular surface. Their production changes in cases of dry eye. The development of EALT is a common feature frequently occurring in symptomatically normal conjunctiva and nasolacrimal ducts. The production of antimicrobials, mucins and TFF peptides can be linked with cell signaling, tear film rheology, and antimicrobial defense at the ocular surface. Changes in the production of such peptides and proteins in cases of dry eye support the assumption that these peptides and proteins are involved in the pathophysiological events that occur at the ocular surface and lacrimal apparatus. Whether special types of bacteria, viruses, or other factors, e.g., immune deviation, are responsible for the development of EALT in humans requires further investigation in prospective and experimental studies.

Surface functionalization of bioactive glasses with natural molecules of biological significance, Part I: Gallic acid as model molecule

Science.gov (United States)

Zhang, Xin; Ferraris, Sara; Prenesti, Enrico; Verné, Enrica

2013-12-01

Gallic acid (3,4,5-trihydroxybenzoic acid, GA) and its derivatives are a group of biomolecules (polyphenols) obtained from plants. They have effects which are potentially beneficial to heath, for example they are antioxidant, anticarcinogenic and antibacterial, as recently investigated in many fields such as medicine, food and plant sciences. The main drawbacks of these molecules are both low stability and bioavailability. In this research work the opportunity to graft GA to bioactive glasses is investigated, in order to deliver the undamaged biological molecule into the body, using the biomaterial surfaces as a localized carrier. GA was considered for functionalization since it is a good model molecule for polyphenols and presents several interesting biological activities, like antibacterial, antioxidant and anticarcinogenic properties. Two different silica based bioactive glasses (SCNA and CEL2), with different reactivity, were employed as substrates. UV photometry combined with the Folin&Ciocalteu reagent was adopted to test the concentration of GA in uptake solution after functionalization. This test verified how much GA consumption occurred with surface modification and it was also used on solid samples to test the presence of GA on functionalized glasses. XPS and SEM-EDS techniques were employed to characterize the modification of material surface properties and functional group composition before and after functionalization.

Thermodynamics, core-level spectroscopy, morphology, and work function study of different TiCl3 crystalline phases: A theoretical approach

International Nuclear Information System (INIS)

Guo, Lei; Li, Wenpo; Feng, Wenjiang; Zhang, Zhipeng; Zhang, Shengtao

2014-01-01

Highlights: • Three TiCl 3 polymorphs materials were systematically investigated. • Structural results agree well with experimental and available theoretical data. • Morphological and thermodynamic properties were computed and analyzed. • Core-level spectroscopy and work function were obtained. - Abstract: Computer simulation has been widely applied in many research fields owing to its superiority in revealing an insight understanding of the phenomena. In this work, the thermodynamics, core-level spectroscopy, morphology, and work function of TiCl 3 with three different crystalline phases (α, β, and γ) have been comprehensively computed employing the Materials Studio package. Our computational DFT-D approach gives a structural description of the TiCl 3 phases in good agreement with experiment. The core-level spectroscopy confirmed that α, β, and γ modifications for TiCl 3 have lightly affected on the valences of the constitutional elements. A series of possible growth faces (h k l) were deduced using the classic Bravais–Friedel–Donnay–Harker (BFDH) model. We conclude that the sequence of work function for (0 0 1) surface was α > β ≈ γ

Oxygen effect on the work function of electropositive metal films adsorbed on 4d and 5d-transition metals

International Nuclear Information System (INIS)

Kultashev, O.K.; Makarov, A.P.; Rozhkov, S.E.

1976-01-01

The thermionic emission method was used to study the effect of oxygen upon the work function of films of electropositive metals, Sc, Y, La and Ba on some monocrystal and polycrystalline specimens of 4d- and 5d-transition metals of groups 4-8 of the Periodic system. It was revealed that when the supports were polycrystalline and monocrystalline specimens of transition metals of Group 5 (niobium and tantalum), the work function phi of films of electropositive adsorbates dropped substantially as compared, e.g., to the phi values on the same faces of tungsten. When the concentration of the electropositive adsorbate exceeds the optimum value (in the absence of oxygen), oxygen exerts an appreciably activating action upon the work function phi of films of electropositive adsorbates on transition metals of the Groups 7 and 8. The activating action of oxygen is assumed to be due to a possibility of formation of surface interstitial structures

Igusa's $p$-Adic local zeta function and the monodromy conjecture for non-degenerate surface singularities

CERN Document Server

Bories, Bart

2016-01-01

In 2011 Lemahieu and Van Proeyen proved the Monodromy Conjecture for the local topological zeta function of a non-degenerate surface singularity. The authors start from their work and obtain the same result for Igusa's p-adic and the motivic zeta function. In the p-adic case, this is, for a polynomial f\\in\\mathbf{Z}[x,y,z] satisfying f(0,0,0)=0 and non-degenerate with respect to its Newton polyhedron, we show that every pole of the local p-adic zeta function of f induces an eigenvalue of the local monodromy of f at some point of f^{-1}(0)\\subset\\mathbf{C}^3 close to the origin. Essentially the entire paper is dedicated to proving that, for f as above, certain candidate poles of Igusa's p-adic zeta function of f, arising from so-called B_1-facets of the Newton polyhedron of f, are actually not poles. This turns out to be much harder than in the topological setting. The combinatorial proof is preceded by a study of the integral points in three-dimensional fundamental parallelepipeds. Together with the work of L...

A theoretical model on surface electronic behavior: Strain effect

International Nuclear Information System (INIS)

Qin, W.G.; Shaw, D.

2009-01-01

Deformation from mechanical loading can affect surface electronic behavior. Surface deformation and electronic behavior can be quantitatively expressed using strain and work function, respectively, and their experimental relationship can be readily determined using the Kelvin probing technique. However, the theoretical correlation between work function and strain has been unclear. This study reports our theoretical exploration, for the first time, of the effect of strain on work function. We propose a simple electrostatic action model by considering the effect of a dislocation on work function of a one-dimensional lattice and further extend this model to the complex conditions for the effect of dislocation density. Based on this model, we established successfully a theoretical correlation between work function and strain.

Is Work-Related Rumination Associated with Deficits in Executive Functioning?

Science.gov (United States)

Cropley, Mark; Zijlstra, Fred R H; Querstret, Dawn; Beck, Sarah

2016-01-01

Work-related rumination, that is, perseverative thinking about work during leisure time, has been associated with a range of negative health and wellbeing issues. The present paper examined the association between work-related rumination and cognitive processes centerd around the theoretical construct of executive functioning. Executive functioning is an umbrella term for high level cognitive processes such as planning, working memory, inhibition, mental flexibility; and it underlies how people manage and regulate their goal directed behavior. Three studies are reported. Study I, reports the results of a cross-sectional study of 240 employees, and demonstrates significant correlations between work-related rumination and three proxy measures of executive functioning: cognitive failures (0.33), cognitive flexibility (-0.24), and situational awareness at work (-0.28). Study II ( n = 939), expands on the findings from study 1 and demonstrates that workers reporting medium and high work-related rumination were 2.8 and 5 times, respectively, more likely to report cognitive failures relative to low ruminators. High ruminators also demonstrated greater difficulties with 'lapses of attention' (OR = 4.8), 'lack of focus of attention' (OR = 3.4), and 'absent mindedness' (OR = 4.3). The final study, examined the association between work-related rumination and executive functioning using interview data from 2460 full time workers. Workers were divided into tertiles low, medium, and high. The findings showed that high work-related rumination was associated with deficits in starting (OR = 2.3) and finishing projects (OR = 2.4), fidgeting (OR = 1.9), memory (OR = 2.2), pursuing tasks in order (OR = 1.8), and feeling compelled to do things (OR = 2.0). It was argued that work-related rumination may not be related to work demands per se , but appears to be an executive functioning/control issue. Such findings are important for the design and delivery of intervention programes aimed

Is Work-related Rumination Associated with deficits in Executive Functioning?

Directory of Open Access Journals (Sweden)

Mark Cropley

2016-09-01

Full Text Available AbstractWork-related rumination, that is, perseverative thinking about work during leisure time, has been associated with a range of negative health and wellbeing issues. The present paper examined the association between work-related rumination and cognitive processes centred around the theoretical construct of executive functioning. Executive functioning is an umbrella term for high level cognitive processes such as planning, working memory, inhibition, mental flexibility; and it underlies how people manage and regulate their goal directed behaviour. Three studies are reported. Study I, reports the results of a cross-sectional study of 240 employees, and demonstrates significant correlations between work-related rumination and three proxy measures of executive functioning: cognitive failures (.33, cognitive flexibility (-.24 and situational awareness at work (-.28. Study II (n = 939, expands on the findings from study 1 and demonstrates that workers reporting medium and high work-related rumination were 2.8 and 5 times, respectively, more likely to report cognitive failures relative to low ruminators. High ruminators also demonstrated greater difficulties with ‘lapses of attention’ (OR = 4.8, ‘lack of focus of attention’ (OR = 3.4, and ‘absent mindedness’ (OR = 4.3. The final study, examined the association between work-related rumination and executive functioning using interview data from 2460 full time workers. Workers were divided into tertiles low, medium and high. The findings showed that high work-related rumination was associated with deficits in starting (OR = 2.3 and finishing projects (OR = 2.4, fidgeting (OR = 1.9, memory (OR = 2.2, pursuing tasks in order (OR = 1.8, and feeling compelled to do things (OR = 2.0. It was argued that work-related rumination may not be related to work demands per se, but appears to be an executive functioning/control issue. Such findings are important for the design and delivery of

Tear function and ocular surface after Muller muscle-conjunctival resection.

Science.gov (United States)

Uğurbaş, Suat Hayri; Alpay, Atilla; Bahadır, Burak; Uğurbaş, Sılay Cantürk

2014-05-01

Muller muscle-conjunctival resection (MCR) is a surgical technique to correct mild and moderate ptosis. In this study, tear function tests and ocular surface are evaluated in patients who underwent unilateral surgery. Sixteen patients with normal preoperative tear function who underwent unilateral MCR were evaluated prospectively. The fellow eyes of the patients were taken as the control group. A dry eye assessment questionnaire, Schirmer testing, tear film break-up time, fluorescein stain, Rose-Bengal stain, and conjunctival impression cytology were used to assess the tear film functions and ocular surface changes in the operated and non-operated eyes. There was no statistically significant difference in the tear function tests and goblet cell densities between the operated and non-operated eyes. The results indicate that an MCR procedure has no apparent effect on tear function tests and goblet cell density in patients with normal preoperative tear function.

Effect of nanometer scale surface roughness of titanium for osteoblast function

Directory of Open Access Journals (Sweden)

Satoshi Migita

2017-02-01

Full Text Available Surface roughness is an important property for metallic materials used in medical implants or other devices. The present study investigated the effects of surface roughness on cellular function, namely cell attachment, proliferation, and differentiation potential. Titanium (Ti discs, with a hundred nanometer- or nanometer-scale surface roughness (rough and smooth Ti surface, respectively were prepared by polishing with silicon carbide paper. MC3T3-E1 mouse osteoblast-like cells were cultured on the discs, and their attachment, spreading area, proliferation, and calcification were analyzed. Cells cultured on rough Ti discs showed reduced attachment, proliferation, and calcification ability suggesting that the surface inhibited osteoblast function. The findings can provide a basis for improving the biocompatibility of medical devices.

Monolayer assembly and striped architecture of Co nanoparticles on organic functionalized Si surfaces

Energy Technology Data Exchange (ETDEWEB)

Bae, S.-S.; Lim, D.K.; Park, J.-I.; Kim, S. [Korea Advanced Institute of Science and Technology, Department of Chemistry and School of Molecular Science (BK 21), Daejeon (Korea); Cheon, J. [Yonsei University, Department of Chemistry, College of Sciences, Seoul (Korea); Jeon, I.C. [Chonbuk National University, Department of Chemistry, College of Natural Sciences, Chonbuk (Korea)

2005-03-01

We present a new strategy to fabricate a monolayer assembly of Br-terminated Co nanoparticles on functionalized Si surfaces by using chemical covalent bonding and microcontact printing method. Self-assembled monolayers (SAMs) of the Co nanoparticles formed on the hydroxyl-terminated Si surface exhibit two-dimensional island networks with locally ordered arrays via covalent linkage between nanoparticles and surface. On the other hand, SAMs of the nanoparticles on the aminopropyl-terminated Si surface show an individual and random distribution over an entire surface. Furthermore, we have fabricated striped architectures of Co nanoparticles using a combination of microcontact printing and covalent linkage. Microcontact printing of octadecyltrichlorosilane and selective covalent linkage between nanoparticles and functionalized Si surfaces lead to a hybrid nanostructure with selectively assembled nanoparticles stripes on the patterned functionalized Si surfaces. (orig.)

Functional MR imaging of working memory in the human brain

International Nuclear Information System (INIS)

Na, Dong Gyu; Ryu, Jae Wook; Byun, Hong Sik; Lee, Eun Jeong; Chung, Woo In; Cho, Jae Min; Han, Boo Kyung; Choi, Dae Seob

2000-01-01

In order to investigate the functional brain anatomy associated with verbal and visual working memory, functional magnetic resonance imaging was performed. In ten normal right handed subjects, functional MR images were obtained using a 1.5-T MR scanner and the EPI BOLD technique. An item recognition task was used for stimulation, and during the activation period of the verbal working memory task, consonant letters were used. During the activation period of the visual working memory task, symbols or diagrams were employed instead of letters. For the post-processing of images, the SPM program was used, with the threshold of significance set at p < .001. We assessed activated brain areas during the two stimulation tasks and compared the activated regions between the two tasks. The prefrontal cortex and secondary visual cortex were activated bilaterally by both verbal and visual working memory tasks, and the patterns of activated signals were similar in both tasks. The superior parietal cortex was also activated by both tasks, with lateralization to the left in the verbal task, and bilaterally without lateralization in the visual task. The inferior frontal cortex, inferior parietal cortex and temporal gyrus were activated exclusively by the verbal working memory task, predominantly in the left hemisphere. The prefrontal cortex is activated by two stimulation tasks, and this is related to the function of the central executive. The language areas activated by the verbal working memory task may be a function of the phonological loop. Bilateral prefrontal and superior parietal cortices activated by the visual working memory task may be related to the visual maintenance of objects, representing visual working memory

Functional MR imaging of working memory in the human brain

Energy Technology Data Exchange (ETDEWEB)

Na, Dong Gyu; Ryu, Jae Wook; Byun, Hong Sik; Lee, Eun Jeong; Chung, Woo In; Cho, Jae Min; Han, Boo Kyung [Sungkyunkwan University School of Medicine, Seoul (Korea, Republic of); Choi, Dae Seob [Dongguk University College of Medicine, Seoul (Korea, Republic of)

2000-03-01

In order to investigate the functional brain anatomy associated with verbal and visual working memory, functional magnetic resonance imaging was performed. In ten normal right handed subjects, functional MR images were obtained using a 1.5-T MR scanner and the EPI BOLD technique. An item recognition task was used for stimulation, and during the activation period of the verbal working memory task, consonant letters were used. During the activation period of the visual working memory task, symbols or diagrams were employed instead of letters. For the post-processing of images, the SPM program was used, with the threshold of significance set at p < .001. We assessed activated brain areas during the two stimulation tasks and compared the activated regions between the two tasks. The prefrontal cortex and secondary visual cortex were activated bilaterally by both verbal and visual working memory tasks, and the patterns of activated signals were similar in both tasks. The superior parietal cortex was also activated by both tasks, with lateralization to the left in the verbal task, and bilaterally without lateralization in the visual task. The inferior frontal cortex, inferior parietal cortex and temporal gyrus were activated exclusively by the verbal working memory task, predominantly in the left hemisphere. The prefrontal cortex is activated by two stimulation tasks, and this is related to the function of the central executive. The language areas activated by the verbal working memory task may be a function of the phonological loop. Bilateral prefrontal and superior parietal cortices activated by the visual working memory task may be related to the visual maintenance of objects, representing visual working memory.

Work-related measures of physical and behavioral health function: Test-retest reliability.

Science.gov (United States)

Marino, Molly Elizabeth; Meterko, Mark; Marfeo, Elizabeth E; McDonough, Christine M; Jette, Alan M; Ni, Pengsheng; Bogusz, Kara; Rasch, Elizabeth K; Brandt, Diane E; Chan, Leighton

2015-10-01

The Work Disability Functional Assessment Battery (WD-FAB), developed for potential use by the US Social Security Administration to assess work-related function, currently consists of five multi-item scales assessing physical function and four multi-item scales assessing behavioral health function; the WD-FAB scales are administered as Computerized Adaptive Tests (CATs). The goal of this study was to evaluate the test-retest reliability of the WD-FAB Physical Function and Behavioral Health CATs. We administered the WD-FAB scales twice, 7-10 days apart, to a sample of 376 working age adults and 316 adults with work-disability. Intraclass correlation coefficients were calculated to measure the consistency of the scores between the two administrations. Standard error of measurement (SEM) and minimal detectable change (MDC90) were also calculated to measure the scales precision and sensitivity. For the Physical Function CAT scales, the ICCs ranged from 0.76 to 0.89 in the working age adult sample, and 0.77-0.86 in the sample of adults with work-disability. ICCs for the Behavioral Health CAT scales ranged from 0.66 to 0.70 in the working age adult sample, and 0.77-0.80 in the adults with work-disability. The SEM ranged from 3.25 to 4.55 for the Physical Function scales and 5.27-6.97 for the Behavioral Health function scales. For all scales in both samples, the MDC90 ranged from 7.58 to 16.27. Both the Physical Function and Behavioral Health CATs of the WD-FAB demonstrated good test-retest reliability in adults with work-disability and general adult samples, a critical requirement for assessing work related functioning in disability applicants and in other contexts. Copyright © 2015 Elsevier Inc. All rights reserved.

Surface functionalized biocompatible magnetic nanospheres for cancer hyperthermia.

Energy Technology Data Exchange (ETDEWEB)

Liu, X.; Novosad, V.; Rozhkova, E. A.; Chen, H.; Yefremenko, V.; Pearson, J.; Torno, M.; Bader, S. D.; Rosengart, A. J.; Univ. Chicago Pritzker School of Medicine

2007-06-01

We report a simplified single emulsion (oil-in-water) solvent evaporation protocol to synthesize surface functionalized biocompatible magnetic nanospheres by using highly concentrated hydrophobic magnetite (gel) and a mixture of poly(D,L lactide-co-glycolide) (PLGA) and poly(lactic acid-block-polyethylene glycol-maleimide) (PLA-PEG-maleimide) (10:1 by mass) polymers. The as-synthesized particles are approximately spherical with an average diameter of 360-370 nm with polydispersity index of 0.12-0.18, are surface-functionalized with maleimide groups, and have saturation magnetization values of 25-40 emu/g. The efficiency of the heating induced by 400-kHz oscillating magnetic fields is compared for two samples with different magnetite loadings. Results show that these nanospheres have the potential to provide an efficient cancer-targeted hyperthermia.

Probability function of breaking-limited surface elevation. [wind generated waves of ocean

Science.gov (United States)

Tung, C. C.; Huang, N. E.; Yuan, Y.; Long, S. R.

1989-01-01

The effect of wave breaking on the probability function of surface elevation is examined. The surface elevation limited by wave breaking zeta sub b(t) is first related to the original wave elevation zeta(t) and its second derivative. An approximate, second-order, nonlinear, non-Gaussian model for zeta(t) of arbitrary but moderate bandwidth is presented, and an expression for the probability density function zeta sub b(t) is derived. The results show clearly that the effect of wave breaking on the probability density function of surface elevation is to introduce a secondary hump on the positive side of the probability density function, a phenomenon also observed in wind wave tank experiments.

Multi-step surface functionalization of polyimide based evanescent wave photonic biosensors and application for DNA hybridization by Mach-Zehnder interferometer

Energy Technology Data Exchange (ETDEWEB)

Melnik, Eva [Health and Environment Department, Nano Systems, AIT Austrian Institute of Technology GmbH, Donau-City-Strasse 1, 1220 Vienna (Austria); Department of Analytical Chemistry, University of Vienna, Waehringer Strasse 38, 1090 Vienna (Austria); Bruck, Roman [Health and Environment Department, Nano Systems, AIT Austrian Institute of Technology GmbH, Donau-City-Strasse 1, 1220 Vienna (Austria); Hainberger, Rainer, E-mail: rainer.hainberger@ait.ac.at [Health and Environment Department, Nano Systems, AIT Austrian Institute of Technology GmbH, Donau-City-Strasse 1, 1220 Vienna (Austria); Laemmerhofer, Michael, E-mail: michael.laemmerhofer@univie.ac.at [Department of Analytical Chemistry, University of Vienna, Waehringer Strasse 38, 1090 Vienna (Austria)

2011-08-12

Highlights: {yields} We realize a biosensing platform for polyimide evanescent photonic wave sensors. {yields} We show that the surface functionalization via silanisation and biotinylation followed by streptavidin immobilization do not destroy or damage the thin polyimide film. {yields} A highly dense streptavidin layer enables the immobilisation of biotinylated ligands such as biotinylated ssDNA for the selective measurement of DNA hybridization. - Abstract: The process of surface functionalization involving silanization, biotinylation and streptavidin bonding as platform for biospecific ligand immobilization was optimized for thin film polyimide spin-coated silicon wafers, of which the polyimide film serves as a wave guiding layer in evanescent wave photonic biosensors. This type of optical sensors make great demands on the materials involved as well as on the layer properties, such as the optical quality, the layer thickness and the surface roughness. In this work we realized the binding of a 3-mercaptopropyl trimethoxysilane on an oxygen plasma activated polyimide surface followed by subsequent derivatization of the reactive thiol groups with maleimide-PEG{sub 2}-biotin and immobilization of streptavidin. The progress of the functionalization was monitored by using different fluorescence labels for optimization of the chemical derivatization steps. Further, X-ray photoelectron spectroscopy and atomic force microscopy were utilized for the characterization of the modified surface. These established analytical methods allowed to derive information like chemical composition of the surface, surface coverage with immobilized streptavidin, as well as parameters of the surface roughness. The proposed functionalization protocol furnished a surface density of 144 fmol mm{sup -2} streptavidin with good reproducibility (13.9% RSD, n = 10) and without inflicted damage to the surface. This surface modification was applied to polyimide based Mach-Zehnder interferometer

The sewing technique and correlation functions on arbitrary Riemann surfaces

International Nuclear Information System (INIS)

Di Vecchia, P.

1989-01-01

We describe in the case of free bosonic and fermionic theories the sewing procedure, that is a very convenient way for constructing correlation functions of these theories on an arbitrary Riemann surface from their knowledge on the sphere. The fundamental object that results from this construction is the N-point g-loop vertex. It summarizes the information of all correlation functions of the theory on an arbitrary Riemann surface. We then check explicitly the bosonization rules and derive some useful formulas. (orig.)

A versatile strategy towards non-covalent functionalization of graphene by surface-confined supramolecular self-assembly of Janus tectons

Directory of Open Access Journals (Sweden)

Ping Du

2015-03-01

Full Text Available Two-dimensional (2D, supramolecular self-assembly at surfaces is now well-mastered with several existing examples. However, one remaining challenge to enable future applications in nanoscience is to provide potential functionalities to the physisorbed adlayer. This work reviews a recently developed strategy that addresses this key issue by taking advantage of a new concept, Janus tecton materials. This is a versatile, molecular platform based on the design of three-dimensional (3D building blocks consisting of two faces linked by a cyclophane-type pillar. One face is designed to steer 2D self-assembly onto C(sp2-carbon-based flat surfaces, the other allowing for the desired functionality above the substrate with a well-controlled lateral order. In this way, it is possible to simultaneously obtain a regular, non-covalent paving as well as supramolecular functionalization of graphene, thus opening interesting perspectives for nanoscience applications.

Spatial prediction of near surface soil water retention functions using hydrogeophysics

Science.gov (United States)

Gibson, J. P.; Franz, T. E.

2017-12-01

The hydrological community often turns to widely available spatial datasets such as SSURGO to characterize the spatial variability of soil across a landscape of interest. This has served as a reasonable first approximation when lacking localized soil data. However, previous work has shown that information loss within land surface models primarily stems from parameterization. Localized soil sampling is both expensive and time intense, and thus a need exists in connecting spatial datasets with ground observations. Given that hydrogeophysics is data-dense, rapid, and relatively easy to adopt, it is a promising technique to help dovetail localized soil sampling with larger spatial datasets. In this work, we utilize 2 geophysical techniques; cosmic ray neutron probe and electromagnetic induction, to identify temporally stable soil moisture patterns. This is achieved by measuring numerous times over a range of wet to dry field conditions in order to apply an empirical orthogonal function. We then present measured water retention functions of shallow cores extracted within each temporally stable zone. Lastly, we use soil moisture patterns as a covariate to predict soil hydraulic properties in areas without measurement and validate using a leave-one-out cross validation analysis. Using these approaches to better constrain soil hydraulic property variability, we speculate that further research can better estimate hydrologic fluxes in areas of interest.

Surface effects on mean inner potentials studied using density functional theory

Energy Technology Data Exchange (ETDEWEB)

Pennington, Robert S., E-mail: robert.pennington@uni-ulm.de [Institute for Experimental Physics, Ulm University, Albert-Einstein-Allee 11, 89081 Ulm (Germany); Boothroyd, Chris B.; Dunin-Borkowski, Rafal E. [Ernst Ruska-Centre and Peter Grüneberg Institute, Forschungzentrum Jülich, 52425 Jülich (Germany)

2015-12-15

Quantitative materials characterization using electron holography frequently requires knowledge of the mean inner potential, but reported experimental mean inner potential measurements can vary widely. Using density functional theory, we have simulated the mean inner potential for materials with a range of different surface conditions and geometries. We use both “thin-film” and “nanowire” specimen geometries. We consider clean bulk-terminated surfaces with different facets and surface reconstructions using atom positions from both structural optimization and experimental data and we also consider surfaces both with and without adsorbates. We find that the mean inner potential is surface-dependent, with the strongest dependency on surface adsorbates. We discuss the outlook and perspective for future mean inner potential measurements. - Highlights: • Density functional theory (DFT) is used to simulate mean inner potentials (MIP). • Applications for MIP electron holography measurements are considered. • MIPs are found to be surface-dependent, for thin-film and nanowire geometries. • The DFT simulation precision is extensively tested for multiple materials. • Surface adsorbates can create a strong positive or negative effect.

Functional Imaging of Working Memory and Peripheral Endothelial Function in Middle-Aged Adults

Science.gov (United States)

Gonzales, Mitzi M.; Tarumi, Takashi; Tanaka, Hirofumi; Sugawara, Jun; Swann-Sternberg, Tali; Goudarzi, Katayoon; Haley, Andreana P.

2010-01-01

The current study examined the relationship between a prognostic indicator of vascular health, flow-mediated dilation (FMD), and working memory-related brain activation in healthy middle-aged adults. Forty-two participants underwent functional magnetic resonance imaging while completing a 2-Back working memory task. Brachial artery…

Green's functions potential fields on surfaces

CERN Document Server

Melnikov, Yuri A

2017-01-01

This book is comprehensive in its classical mathematical physics presentation, providing the reader with detailed instructions for obtaining Green's functions from scratch. Green's functions is an instrument easily accessible to practitioners who are engaged in design and exploitation of machines and structures in modern engineering practice. To date, there are no books available on the market that are devoted to the Green's function formalism for equations covered in this volume. The reader, with an undergraduate background in applied mathematics, can become an active user of the Green's function approach. For the first time, Green's functions are discussed for a specific class of problems dealing with potential fields induced in thin-wall structures and therefore, the reader will have first-hand access to a novel issue. This Work is accessible to researchers in applied mathematics, mechanics, and relevant disciplines such as engineering, as well as to upper level undergraduates and graduate students.

Self-assembled monolayer structures of hexadecylamine on Cu surfaces: density-functional theory.

Science.gov (United States)

Liu, Shih-Hsien; Balankura, Tonnam; Fichthorn, Kristen A

2016-12-07

We used dispersion-corrected density-functional theory to probe possible structures for adsorbed layers of hexadecylamine (HDA) on Cu(100) and Cu(111). HDA forms self-assembled layers on these surfaces, analogous to alkanethiols on various metal surfaces, and it binds by donating electrons in the amine group to the Cu surface atoms, consistent with experiment. van der Waals interactions between the alkyl tails of HDA molecules are stronger than the interaction between the amine group and the Cu surfaces. Strong HDA-tail interactions lead to coverage-dependent tilting of the HDA layers, such that the tilt angle is larger for lower coverages. At full monolayer coverage, the energetically preferred binding configuration for HDA on Cu(100) is a (5 × 3) pattern - although we cannot rule out incommensurate structures - while the pattern is preferred on Cu(111). A major motivation for this study is to understand the experimentally observed capability of HDA as a capping agent for producing {100}-faceted Cu nanocrystals. Consistent with experiment, we find that HDA binds more strongly to Cu(100) than to Cu(111). This strong binding stems from the capability of HDA to form more densely packed layers on Cu(100), which leads to stronger HDA-tail interactions, as well as the stronger binding of the amine group to Cu(100). We estimate the surface energies of HDA-covered Cu(100) and Cu(111) surfaces and find that these surfaces are nearly isoenergetic. By drawing analogies to previous theoretical work, it seems likely that HDA-covered Cu nanocrystals could have kinetic shapes that primarily express {100} facets, as is seen experimentally.

Drawing a dog: The role of working memory and executive function.

Science.gov (United States)

Panesi, Sabrina; Morra, Sergio

2016-12-01

Previous research suggests that young children draw animals by adapting their scheme for the human figure. This can be considered an early form of drawing flexibility. This study investigated preschoolers' ability to draw a dog that is different from the human figure. The role of working memory capacity and executive function was examined. The participants were 123 children (36-73 months old) who were required to draw both a person and a dog. The dog figure was scored on a list of features that could render it different from the human figure. Regression analyses showed that both working memory capacity and executive function predicted development in the dog drawing; the dog drawing score correlated with working memory capacity and executive function, even partialling out age, motor coordination, and drawing ability (measured with Goodenough's Draw-a-Man test). These results suggest that both working memory capacity and executive function play an important role in the early development of drawing flexibility. The implications regarding executive functions and working memory are also discussed. Copyright © 2016 Elsevier Inc. All rights reserved.

Bioactivity evolution of the surface functionalized bioactive glasses.

Science.gov (United States)

Magyari, Klára; Baia, Lucian; Vulpoi, Adriana; Simon, Simion; Popescu, Octavian; Simon, Viorica

2015-02-01

The formation of a calcium phosphate layer on the surface of the SiO2 -CaO-P2 O5 glasses after immersion in simulated body fluid (SBF) generally demonstrates the bioactivity of these materials. Grafting of the surface by chemical bonding can minimize the structural changes in protein adsorbed on the surface. Therefore, in this study our interest was to evaluate the bioactivity and blood biocompatibility of the SiO2 -CaO-P2 O5 glasses after their surface modification by functionalization with aminopropyl-triethoxysilane and/or by fibrinogen. It is shown that the fibrinogen adsorbed on the glass surfaces induces a growing of the apatite-like layer. It is also evidenced that the protein content from SBF influences the growth of the apatite-like layer. Furthermore, the good blood compatibility of the materials after fibrinogen and bovine serum albumin adsorption is proved from the assessment of the β-sheet-β-turn ratio. © 2014 Wiley Periodicals, Inc.

Two-extremum electrostatic potential of metal-lattice plasma and the work function of an electron

Directory of Open Access Journals (Sweden)

Surma S.A.

2015-06-01

Full Text Available Metal-lattice plasma is treated as a neutral two-component two-phase system of 2D surface and 3D bulk. Free electron density and bulk chemical potential are used as intensive parameters of the system with the phase boundary position determined in the crystalline lattice. A semiempirical expression for the electron screened electrostatic potential is constructed using the lattice-plasma polarization concept. It comprises an image term and three repulsion/attraction terms of second and fourth orders. The novel curve has two extremes and agrees with certain theoretical forms of potential. A practical formula for the electron work function of metals and a simplified schema of electronic structure at the metal/vacuum interface are proposed. This yields 10.44 eV for the Fermi energy of free electron gas; -5.817 eV for the Fermi energy level; 4.509 eV for the average work function of bcc tungsten. Selected data are also given for fcc Cu and hcp Re. For harmonic frequencies ~ 10E16 per s of the self-excited metal-lattice plasma, energy gaps of 14.54 and 8.02 eV are found, which correspond to the bulk and surface plasmons, respectively. Further extension of this thermodynamics and metal-lattice theory based approach may contribute to a better understanding of theoretical models which are employed in chemical physics, catalysis and materials science of nanostructures.

Polyethylene imine/graphene oxide layer-by-layer surface functionalization for significantly improved limit of detection and binding kinetics of immunoassays on acrylate surfaces.

Science.gov (United States)

Miyazaki, Celina M; Mishra, Rohit; Kinahan, David J; Ferreira, Marystela; Ducrée, Jens

2017-10-01

Antibody immobilization on polymeric substrates is a key manufacturing step for microfluidic devices that implement sample-to-answer automation of immunoassays. In this work, a simple and versatile method to bio-functionalize poly(methylmethacrylate) (PMMA), a common material of such "Lab-on-a-Chip" systems, is proposed; using the Layer-by-Layer (LbL) technique, we assemble nanostructured thin films of poly(ethylene imine) (PEI) and graphene oxide (GO). The wettability of PMMA surfaces was significantly augmented by the surface treatment with (PEI/GO) 5 film, with an 81% reduction of the contact angle, while the surface roughness increased by 600%, thus clearly enhancing wettability and antibody binding capacity. When applied to enzyme-linked immunosorbent assays (ELISAs), the limit of detection of PMMA surface was notably improved from 340pgmL -1 on commercial grade polystyrene (PS) and 230pgmL -1 on plain PMMA surfaces to 130pgmL -1 on (PEI/GO) 5 treated PMMA. Furthermore, the accelerated antibody adsorption kinetics on the LbL films of GO allowed to substantially shorten incubation times, e.g. for anti-rat IgG adsorption from 2h down to 15min on conventional and treated surfaces, respectively. Copyright © 2017 Elsevier B.V. All rights reserved.

The effect of polyether functional polydimethylsiloxane on surface and thermal properties of waterborne polyurethane

Science.gov (United States)

Zheng, Guikai; Lu, Ming; Rui, Xiaoping

2017-03-01

Waterborne polyurethanes (WPU) modified with polyether functional polydimethylsiloxane (PDMS) were synthesized by pre-polymerization method using isophorone diisocyanate (IPDI) and 1,4-butanediol (BDO) as hard segments and polybutylene adipate glycol (PBA) and polyether functional PDMS as soft segments. The effect of polyether functional PDMS on phase separation, thermal properties, surface properties including surface composition, morphology and wettability were investigated by FTIR, contact angle measurements, ARXPS, SEM-EDS, AFM, TG and DSC. The results showed that the compatibility between urethane hard segment and PDMS modified with polyether was good, and there was no distinct phase separation in both bulk and surface of WPU films. The degradation temperature and low temperature flexibility increased with increasing amounts of polyether functional PDMS. The enrichment of polyether functional PDMS with low surface energy on the surface imparted excellent hydrophobicity to WPU films.

The role of high work-function metallic nanodots on the performance of a-Si:H solar cells: offering ohmic contact to light trapping.

Science.gov (United States)

Kim, Jeehwan; Abou-Kandil, Ahmed; Fogel, Keith; Hovel, Harold; Sadana, Devendra K

2010-12-28

Addition of carbon into p-type "window" layers in hydrogenated amorphous silicon (a-Si:H) solar cells enhances short circuit currents and open circuit voltages by a great deal. However, a-Si:H solar cells with high carbon-doped "window" layers exhibit poor fill factors due to a Schottky barrier-like impedance at the interface between a-SiC:H windows and transparent conducting oxides (TCO), although they show maximized short circuit currents and open circuit voltages. The impedance is caused by an increasing mismatch between the work function of TCO and that of p-type a-SiC:H. Applying ultrathin high-work-function metals at the interface between the two materials results in an effective lowering of the work function mismatch and a consequent ohmic behavior. If the metal layer is sufficiently thin, then it forms nanodots rather than a continuous layer which provides light-scattering effect. We demonstrate 31% efficiency enhancement by using high-work-function materials for engineering the work function at the key interfaces to raise fill factors as well as photocurrents. The use of metallic interface layers in this work is a clear contrast to previous work where attempts were made to enhance the photocurrent using plasmonic metal nanodots on the solar cell surface.

The Properties of Nano Silver (Ag-Geopolymer as Antibacterial Composite for Functional Surface Materials

Directory of Open Access Journals (Sweden)

Armayani. M

2017-01-01

Full Text Available The purpose of this research was to produce and characterize nano silver (Ag-geopolymer composite for functional surface materials. Geopolymer matrix was synthesized through alkali activation of metakaolin and nano silver was added into geopolymers paste with a mass of 0, 0.5 g, 1 g, 1.5 g and 2 g keeping the mass of metakaolin constant. The mixture was cured at 70°C/1 hour and stored for 7 days before conducting any measurements. The structure of the resulting composite was examined by using Rigaku Mini Flex II x-ray diffraction (XRD. Scanning Electron Microscopy (SEM coupled with Energy Dispersive Spectroscopy (EDS was used to examine the morphology of the composite surface as well as the capability of the composite to isolate the growth of bacteria. The thermal properties of composites in terms of their working temperature and enthalpy were examined by using Perkin Elmer Differential Scanning Calorimetry (DSC. The heat resistance of composite was observed through calcination at 750°C for 18 hours. The results indicate that the resulting composites were able resist up 750°C. SEM examinations showed that nano Ag-geopolymer composites were effectively restraining the growth of bacteria. It is suggested that nano Ag-geopolymer composites are suitable for functional surface applications such as floor and wall, kitchen ware utensils, hospital instruments, art and decoration materials.

Surface generation of negative hydrogen ion beams

International Nuclear Information System (INIS)

Bommel, P.J.M. van.

1984-01-01

This thesis describes investigations on negative hydrogen ion sources at the ampere level. Formation of H - ions occurs when positive hydrogen ions capture two electrons at metal surfaces. The negative ionization probability of hydrogen at metal surfaces increases strongly with decreasing work function of the surface. The converters used in this study are covered with cesium. Usually there are 'surface plasma sources' in which the hydrogen source plasma interacts with a converter. In this thesis the author concentrates upon investigating a new concept that has converters outside the plasma. In this approach a positive hydrogen ion beam is extracted from the plasma and is subsequently reflected from a low work function converter surface. (Auth.)

Scattering function for a model of interacting surfaces

International Nuclear Information System (INIS)

Colangelo, P.; Gonnella, G.; Maritan, A.

1993-01-01

The two-point correlation function of an ensemble of interacting closed self-avoiding surfaces on a cubic lattice is analyzed in the disordered phase, which corresponds to the paramagnetic region in a related spin formulation. Mean-field theory and Monte Carlo simulations predict the existence of a disorder line which corresponds to a transition from an exponential decay to an oscillatory damped behavior of the two-point correlation function. The relevance of the results for the description of amphiphilic systems in a microemulsion phase is discussed. The scattering function is also calculated for a bicontinuous phase coexisting with the paramagnetic phase

Bandgap renormalization and work function tuning in MoSe2/hBN/Ru(0001) heterostructures.

Science.gov (United States)

Zhang, Qiang; Chen, Yuxuan; Zhang, Chendong; Pan, Chi-Ruei; Chou, Mei-Yin; Zeng, Changgan; Shih, Chih-Kang

2016-12-14

The van der Waals interaction in vertical heterostructures made of two-dimensional (2D) materials relaxes the requirement of lattice matching, therefore enabling great design flexibility to tailor novel 2D electronic systems. Here we report the successful growth of MoSe 2 on single-layer hexagonal boron nitride (hBN) on the Ru(0001) substrate using molecular beam epitaxy. Using scanning tunnelling microscopy and spectroscopy, we found that the quasi-particle bandgap of MoSe 2 on hBN/Ru is about 0.25 eV smaller than those on graphene or graphite substrates. We attribute this result to the strong interaction between hBN/Ru, which causes residual metallic screening from the substrate. In addition, the electronic structure and the work function of MoSe 2 are modulated electrostatically with an amplitude of ∼0.13 eV. Most interestingly, this electrostatic modulation is spatially in phase with the Moiré pattern of hBN on Ru(0001) whose surface also exhibits a work function modulation of the same amplitude.

Cell Adhesion on Surface-Functionalized Magnesium.

Science.gov (United States)

Wagener, Victoria; Schilling, Achim; Mainka, Astrid; Hennig, Diana; Gerum, Richard; Kelch, Marie-Luise; Keim, Simon; Fabry, Ben; Virtanen, Sannakaisa

2016-05-18

The biocompatibility of commercially pure magnesium-based (cp Mg) biodegradable implants is compromised of strong hydrogen evolution and surface alkalization due to high initial corrosion rates of cp Mg in the physiological environment. To mitigate this problem, the addition of corrosion-retarding alloying elements or coating of implant surfaces has been suggested. In the following work, we explored the effect of organic coatings on long-term cell growth. cp Mg was coated with aminopropyltriehtoxysilane + vitamin C (AV), carbonyldiimidazole (CDI), or stearic acid (SA). All three coatings have been previously suggested to reduce initial corrosion and to enhance protein adsorption and hence cell adhesion on magnesium surfaces. Endothelial cells (DH1+/+) and osteosarcoma cells (MG63) were cultured on coated samples for up to 20 days. To quantify Mg corrosion, electrochemical impedance spectroscopy (EIS) was measured after 1, 3, and 5 days of cell culture. We also investigated the speed of initial cell spreading after seeding using fluorescently labeled fibroblasts (NIH/3T3). Hydrogen evolution after contact with cell culture medium was markedly decreased on AV- and SA-coated Mg compared to uncoated Mg. These coatings also showed improved cell adhesion and spreading after 24 h of culture comparable to tissue-treated plastic surfaces. On AV-coated cp Mg, a confluent layer of endothelial cells formed after 5 days and remained intact for up to 20 days. Together, these data demonstrate that surface coating with AV is a viable strategy for improving long-term biocompatibility of cp Mg-based implants. EIS measurements confirmed that the presence of a confluent cell layer increased the corrosion resistance.

Combining density functional and incremental post-Hartree-Fock approaches for van der Waals dominated adsorbate-surface interactions: Ag2/graphene

International Nuclear Information System (INIS)

Lara-Castells, María Pilar de; Mitrushchenkov, Alexander O.; Stoll, Hermann

2015-01-01

A combined density functional (DFT) and incremental post-Hartree-Fock (post-HF) approach, proven earlier to calculate He-surface potential energy surfaces [de Lara-Castells et al., J. Chem. Phys. 141, 151102 (2014)], is applied to describe the van der Waals dominated Ag 2 /graphene interaction. It extends the dispersionless density functional theory developed by Pernal et al. [Phys. Rev. Lett. 103, 263201 (2009)] by including periodic boundary conditions while the dispersion is parametrized via the method of increments [H. Stoll, J. Chem. Phys. 97, 8449 (1992)]. Starting with the elementary cluster unit of the target surface (benzene), continuing through the realistic cluster model (coronene), and ending with the periodic model of the extended system, modern ab initio methodologies for intermolecular interactions as well as state-of-the-art van der Waals-corrected density functional-based approaches are put together both to assess the accuracy of the composite scheme and to better characterize the Ag 2 /graphene interaction. The present work illustrates how the combination of DFT and post-HF perspectives may be efficient to design simple and reliable ab initio-based schemes in extended systems for surface science applications

Influence of pre-heating on the surface modification of powder-metallurgy processed cold-work tool steel during laser surface melting

Energy Technology Data Exchange (ETDEWEB)

Šturm, Roman, E-mail: roman.sturm@fs.uni-lj.si [University of Ljubljana, Faculty of Mechanical Engineering, Aškerčeva 6, 1000 Ljubljana (Slovenia); Štefanikova, Maria [University of Ljubljana, Faculty of Mechanical Engineering, Aškerčeva 6, 1000 Ljubljana (Slovenia); Steiner Petrovič, Darja [Institute of Metals and Technology, Lepi pot 11, 1000 Ljubljana (Slovenia)

2015-01-15

Graphical abstract: - Highlights: • Heat-treatment protocol for laser surface melting of cold-work tool steel is proposed. • The laser melted steel surface is hardened, and morphologically modified. • The pre-heating of substrate creates a crack-and pore-free steel surface. • The optimum pre-heating temperature is determined to be 350 °C. • Using pre-heating the quantity of retained austenite is reduced. - Abstract: In this study we determine the optimal parameters for surface modification using the laser surface melting of powder-metallurgy processed, vanadium-rich, cold-work tool steel. A combination of steel pre-heating, laser surface melting and a subsequent heat treatment creates a hardened and morphologically modified surface of the selected high-alloy tool steel. The pre-heating of the steel prior to the laser surface melting ensures a crack- and pore-free modified surface. Using a pre-heating temperature of 350 °C, the extremely fine microstructure, which typically evolves during the laser-melting, became slightly coarser and the volume fraction of retained austenite was reduced. In the laser-melted layer the highest values of microhardness were achieved in the specimens where a subsequent heat treatment at 550 °C was applied. The performed thermodynamic calculations were able to provide a very valuable assessment of the liquidus temperature and, especially, a prediction of the chemical composition as well as the precipitation and dissolution sequence for the carbides.

Verifying the functional ability of microstructured surfaces by model-based testing

Science.gov (United States)

Hartmann, Wito; Weckenmann, Albert

2014-09-01

Micro- and nanotechnology enables the use of new product features such as improved light absorption, self-cleaning or protection, which are based, on the one hand, on the size of functional nanostructures and the other hand, on material-specific properties. With the need to reliably measure progressively smaller geometric features, coordinate and surface-measuring instruments have been refined and now allow high-resolution topography and structure measurements down to the sub-nanometre range. Nevertheless, in many cases it is not possible to make a clear statement about the functional ability of the workpiece or its topography because conventional concepts of dimensioning and tolerancing are solely geometry oriented and standardized surface parameters are not sufficient to consider interaction with non-geometric parameters, which are dominant for functions such as sliding, wetting, sealing and optical reflection. To verify the functional ability of microstructured surfaces, a method was developed based on a parameterized mathematical-physical model of the function. From this model, function-related properties can be identified and geometric parameters can be derived, which may be different for the manufacturing and verification processes. With this method it is possible to optimize the definition of the shape of the workpiece regarding the intended function by applying theoretical and experimental knowledge, as well as modelling and simulation. Advantages of this approach will be discussed and demonstrated by the example of a microstructured inking roll.

Role of surface functionality on the formation of raspberry-like polymer/silica composite particles: Weak acid–base interaction and steric effect

International Nuclear Information System (INIS)

Wang, Lan; Song, LinYong; Chao, ZhiYin; Chen, PengPeng; Nie, WangYan; Zhou, YiFeng

2015-01-01

Graphical abstract: - Highlights: • Core–shell structured polymer/SiO 2 was obtained with carboxylic-functionalized templates. • Raspberry-like structure was observed with carboxylic and poly(ethylene glycol) hybrid-functionalized polymer microspheres. • Carboxylic groups contributed to the nucleation and the poly(ethylene glycol) chains was used to control the growth of silica particles. • Super-hydrophobic surface was obtained and the contact angle of water on the dual-sized structured surface was up to 160°. - Abstract: The surface functionality of polymer microspheres is the crucial factor to determine the nucleation and growth of silica particles and to construct the organic/inorganic hierarchical structures. The objective of this work was to evaluate the surface functionality and hierarchical morphology relationship via in situ sol–gel reaction. Carboxylic-functionalized poly (styrene-co-maleic anhydride) [P(S-co-MA)], poly(ethylene glycol)-functionalized poly(styrene-co-poly(ethylene glycol) methacrylate) [P(S-co-PEGMA)], and hybrid functionalized poly(styrene-co-maleic anhydride-co-poly(ethylene glycol) methacrylate) [P(S-co-MA-co-PEGMA)] microspheres were synthesized by emulsifier-free polymerization and used as templates. The morphologies of the composite particles were observed by transmission electron microscopy (TEM) and scanning electron microscopy (SEM). The results showed that core–shell structure was obtained with P(S-co-MA) as templates; raspberry-like structure was observed by using P(S-co-MA-co-PEGMA) as templates; and no silica particles were attached onto the surface of P(S-co-PEGMA) microspheres. These results indicated that the carboxylic groups on the surface formed by hydrolysis of anhydride groups were the determinate factor to control the nucleation of silica nanoparticles, and the PEG chains on the surface can affect the growth of silica particles. In addition, the particulate films were constructed by assembling these

Functionalization and Polymerization on the CNT Surfaces

KAUST Repository

Albuerne, Julio

2013-07-01

In this review we focus on the current status of using carbon nanotube (CNT) as a filler for polymer nanocomposites. Starting with the historical background of CNT, its distinct properties and the surface functionalization of the nanotube, the three different surface polymerization techniques, namely grafting "from", "to" and "through/in between" were discussed. Wider focus has been given on "grafting from" surface initiated polymerizations, including atom transfer radical polymerization (ATRP), reversible addition fragmentation chain-transfer (RAFT) Polymerization, nitroxide mediated polymerization (NMP), ring opening polymerization (ROP) and other miscellaneous polymerization methods. The grafting "to" and "through / in between" also discussed and compared with grafting from polymerization. The merits and shortcomings of all three grafting methods were discussed and the bottleneck issue in grafting from method has been highlighted. Furthermore the current and potential future industrial applications were deliberated. Finally the toxicity issue of CNTs in the final product has been reviewed with the limited available literature knowledge. © 2013 Bentham Science Publishers.

Neisserial surface lipoproteins: structure, function and biogenesis.

Science.gov (United States)

Hooda, Yogesh; Shin, Hyejin E; Bateman, Thomas J; Moraes, Trevor F

2017-03-01

The surface of many Gram-negative bacteria contains lipidated protein molecules referred to as surface lipoproteins or SLPs. SLPs play critical roles in host immune evasion, nutrient acquisition and regulation of the bacterial stress response. The focus of this review is on the SLPs present in Neisseria, a genus of bacteria that colonise the mucosal surfaces of animals. Neisseria contains two pathogens of medical interest, namely Neisseria meningitidis and N. gonorrhoeae. Several SLPs have been identified in Neisseria and their study has elucidated key strategies used by these pathogens to survive inside the human body. Herein, we focus on the identification, structure and function of SLPs that have been identified in Neisseria. We also survey the translocation pathways used by these SLPs to reach the cell surface. Specifically, we elaborate on the strategies used by neisserial SLPs to translocate across the outer membrane with an emphasis on Slam, a novel outer membrane protein that has been implicated in SLP biogenesis. Taken together, the study of SLPs in Neisseria illustrates the widespread roles played by this family of proteins in Gram-negative bacteria. © FEMS 2017. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

A microfluidic surface enhanced Raman spectroscopic biosensor using aptamer functionalized nanopillars

DEFF Research Database (Denmark)

Yang, J.; Palla, M.; Bosco, F. G.

2013-01-01

This paper presents a microchip incorporating an aptamer-functionalized nanopillar substrate, enabling the specific detection of low-abundance biomolecules using surface enhanced Raman spectroscopy (SERS). In a temperature controlled microchamber, aptamers immobilized on the nanostructure surface...

Surface functionalization of SPR chip for specific molecular interaction analysis under flow condition

Directory of Open Access Journals (Sweden)

Tao Ma

2017-03-01

Full Text Available Surface functionalization of sensor chip for probe immobilization is crucial for the biosensing applications of surface plasmon resonance (SPR sensors. In this paper, we report a method circulating the dopamine aqueous solution to coat polydopamine film on sensing surface for surface functionalization of SPR chip. The polydopamine film with available thickness can be easily prepared by controlling the circulation time and the biorecognition elements can be immobilized on the polydopamine film for specific molecular interaction analysis. These operations are all performed under flow condition in the fluidic system, and have the advantages of easy implementation, less time consuming, and low cost, because the reagents and devices used in the operations are routinely applied in most laboratories. In this study, the specific absorption between the protein A probe immobilized on the sensing surface and human immunoglobulin G in the buffer is monitored based on this surface functionalization strategy to demonstrated its feasibility for SPR biosensing applications.

Soil surface protection by Biocrusts: effects of functional groups on textural properties

Science.gov (United States)

Concostrina-Zubiri, Laura; Huber-Sannwald, Elisabeth; Martínez, Isabel; Flores Flores, José Luis; Escudero, Adrián

2015-04-01

In drylands, where vegetation cover is commonly scarce, soil surface is prone to wind and water soil erosion, with the subsequent loss of topsoil structure and chemical properties. These processes are even more pronounced in ecosystems subjected to extra erosive forces, such as grasslands and rangelands that support livestock production. However, some of the physiological and functional traits of biocrusts (i.e., complex association of cyanobacteria, lichens, mosses, fungi and soil particles) make them ideal to resist in disturbed environments and at the same time to protect soil surface from mechanical perturbations. In particular, the filaments and exudates of soil cyanobacteria and the rhizines of lichen can bind together soil particles, forming soil aggregates at the soil surface and thus enhancing soil stability. Also, they act as "biological covers" that preserve the most vulnerable soil layer from wind and runoff erosion and raindrop impact, maintaining soil structure and composition. In this work, we evaluated soil textural properties and organic matter content under different functional groups of biocrusts (i.e., cyanobacteria crust, 3 lichen species, 1 moss species) and in bare soil. In order to assess the impact of livestock trampling on soil properties and on Biocrust function, we sampled three sites conforming a disturbance gradient (low, medium and high impact sites) and a long-term livestock exclusion as control site. We found that the presence of biocrusts had little effects on soil textural properties and organic matter content in the control site, while noticeable differences were found between bare soil and soil under biocrusts (e.g., up to 16-37% higher clay content, compared to bare soil and up to 10% higher organic matter content). In addition, we found that depending on morphological traits and grazing regime, the effects of biocrusts changed along the gradient. For example, soil under the lichen Diploschistes diacapsis, with thick thallus

Effects of chemical functional groups on elemental mercury adsorption on carbonaceous surfaces

Energy Technology Data Exchange (ETDEWEB)

Liu Jing, E-mail: liujing27@mail.hust.edu.cn [State Key Laboratory of Coal Combustion, Huazhong University of Science and Technology, Wuhan 430074 (China); Cheney, Marcos A. [Department of Natural Sciences, University of Maryland Eastern Shore, Princess Anne, MD 21853 (United States); Wu Fan; Li Meng [State Key Laboratory of Coal Combustion, Huazhong University of Science and Technology, Wuhan 430074 (China)

2011-02-15

A systematic theoretical study using density functional theory is performed to provide molecular-level understanding of the effects of chemical functional groups on mercury adsorption on carbonaceous surfaces. The zigzag and armchair edges were used in modeling the carbonaceous surfaces to simulate different adsorption sites. The edge atoms on the upper side of the models are unsaturated to simulate active sites. All calculations (optimizations, energies, and frequencies) were made at B3PW91 density functional theory level, using RCEP60VDZ basis set for mercury and 6-31G(d) pople basis set for other atoms. The results indicate that the embedding of halogen atom can increase the activity of its neighboring site which in turn increases the adsorption capacity of the carbonaceous surface for Hg{sup 0}. The adsorption belongs to chemisorptions, which is in good agreement with the experimental results. For the effects of oxygen functional groups, lactone, carbonyl and semiquinone favor Hg{sup 0} adsorption because they increase the neighboring site's activity for mercury adsorption. On the contrary, phenol and carboxyl functional groups show a physisorption of Hg{sup 0}, and reduce Hg capture. This result can explain the seemingly conflicting experimental results reported in the literature concerning the influence of oxygen functional groups on mercury adsorption on carbonaceous surface.

Automatic monitoring of ecosystem structure and functions using integrated low-cost near surface sensors

Science.gov (United States)

Kim, J.; Ryu, Y.; Jiang, C.; Hwang, Y.

2016-12-01

Near surface sensors are able to acquire more reliable and detailed information with higher temporal resolution than satellite observations. Conventional near surface sensors usually work individually, and thus they require considerable manpower from data collection through information extraction and sharing. Recent advances of Internet of Things (IoT) provides unprecedented opportunities to integrate various low-cost sensors as an intelligent near surface observation system for monitoring ecosystem structure and functions. In this study, we developed a Smart Surface Sensing System (4S), which can automatically collect, transfer, process and analyze data, and then publish time series results on public-available website. The system is composed of micro-computer Raspberry pi, micro-controller Arduino, multi-spectral spectrometers made from Light Emitting Diode (LED), visible and near infrared cameras, and Internet module. All components are connected with each other and Raspberry pi intelligently controls the automatic data production chain. We did intensive tests and calibrations in-lab. Then, we conducted in-situ observations at a rice paddy field and a deciduous broadleaf forest. During the whole growth season, 4S obtained landscape images, spectral reflectance in red, green, blue, and near infrared, normalized difference vegetation index (NDVI), fraction of photosynthetically active radiation (fPAR), and leaf area index (LAI) continuously. Also We compared 4S data with other independent measurements. NDVI obtained from 4S agreed well with Jaz hyperspectrometer at both diurnal and seasonal scales (R2 = 0.92, RMSE = 0.059), and 4S derived fPAR and LAI were comparable to LAI-2200 and destructive measurements in both magnitude and seasonal trajectory. We believe that the integrated low-cost near surface sensor could help research community monitoring ecosystem structure and functions closer and easier through a network system.

30 CFR 71.500 - Sanitary toilet facilities at surface work sites; installation requirements.

Science.gov (United States)

2010-07-01

... 30 Mineral Resources 1 2010-07-01 2010-07-01 false Sanitary toilet facilities at surface work sites; installation requirements. 71.500 Section 71.500 Mineral Resources MINE SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR COAL MINE SAFETY AND HEALTH MANDATORY HEALTH STANDARDS-SURFACE COAL MINES AND...

Radial Basis Function Based Quadrature over Smooth Surfaces

Science.gov (United States)

2016-03-24

Radial Basis Functions φ(r) Piecewise Smooth (Conditionally Positive Definite) MN Monomial |r|2m+1 TPS thin plate spline |r|2mln|r| Infinitely Smooth...smooth surfaces using polynomial interpolants, while [27] couples Thin - Plate Spline interpolation (see table 1) with Green’s integral formula [29

Plasma functionalized surface of commodity polymers for dopamine detection

Energy Technology Data Exchange (ETDEWEB)

Fabregat, Georgina [Departament d’Enginyeria Química, E.T.S. d’Enginyeria Industrial de Barcelona, Universitat Politècnica de Catalunya, Diagonal 647, 08028, Barcelona (Spain); Center for Research in Nano-Engineering, Universitat Politècnica de Catalunya, Campus Sud, Edifici C’, C/Pasqual i Vila s/n, Barcelona, E-08028 (Spain); Osorio, Joaquin [Departament d’Enginyeria Química, E.T.S. d’Enginyeria Industrial de Barcelona, Universitat Politècnica de Catalunya, Diagonal 647, 08028, Barcelona (Spain); Castedo, Alejandra [Center for Research in Nano-Engineering, Universitat Politècnica de Catalunya, Campus Sud, Edifici C’, C/Pasqual i Vila s/n, Barcelona, E-08028 (Spain); Institut de Tècniques Energètiques, E.T.S. d’Enginyeria Industrial de Barcelona, Universitat Politècnica de Catalunya, Diagonal 647, 08028, Barcelona (Spain); Armelin, Elaine [Departament d’Enginyeria Química, E.T.S. d’Enginyeria Industrial de Barcelona, Universitat Politècnica de Catalunya, Diagonal 647, 08028, Barcelona (Spain); Center for Research in Nano-Engineering, Universitat Politècnica de Catalunya, Campus Sud, Edifici C’, C/Pasqual i Vila s/n, Barcelona, E-08028 (Spain); and others

2017-03-31

Highlights: • Electrochemically inert polymers become electroactive after plasma functionalization. • Selective dopamine detection has been achieved functionalizing polymers with plasma. • Plasma-functionalized polymers are sensitive dopamine detectors. • XPS analyses reflect the transformation of inert polymers into electrosensors. - Abstract: We have fabricated potentially generalizable sensors based on polymeric-modified electrodes for the electrochemical detection of dopamine. Sensitive and selective sensors have been successfully obtained by applying a cold-plasma treatment during 1–2 min not only to conducting polymers but also to electrochemically inert polymers, such as polyethylene, polypropylene, polyvinylpyrrolidone, polycaprolactone and polystyrene. The effects of the plasma in the electrode surface activation, which is an essential requirement for the dopamine detection when inert polymers are used, have been investigated using X-ray photoelectron spectroscopy. Results indicate that exposure of polymer-modified electrodes to cold-plasma produces the formation of a large variety of reactive species adsorbed on the electrode surface, which catalyse the dopamine oxidation. With this technology, which is based on the application of a very simple physical functionalization, we have defined a paradox-based paradigm for the fabrication of electrochemical sensors by using inert and cheap plastics.

Predictors of impaired work functioning in employees with major depression in remission

NARCIS (Netherlands)

Vries, G. de; Koeter, M.W.; Nieuwenhuijsen, K.; Hees, H.L.; Schene, A.H.

2015-01-01

OBJECTIVES: This study aims to (i) assess work functioning in employees returning to work with a major depression in remission, (ii) study the predictors of impaired work functioning. METHODS: Participants diagnosed with major depressive disorder (MDD), on long term sick leave (mean 27 weeks) and

First principles study of hydroxyapatite surface

Science.gov (United States)

Slepko, Alexander; Demkov, Alexander A.

2013-07-01

The biomineral hydroxyapatite (HA) [Ca10(PO4)6(OH)2] is the main mineral constituent of mammal bone. We report a theoretical investigation of the HA surface. We identify the low energy surface orientations and stoichiometry under a variety of chemical environments. The surface most stable in the physiologically relevant OH-rich environment is the OH-terminated (1000) surface. We calculate the work function of HA and relate it to the surface composition. For the lowest energy OH-terminated surface we find the work function of 5.1 eV, in close agreement with the experimentally reported range of 4.7 eV-5.1 eV [V. S. Bystrov, E. Paramonova, Y. Dekhtyar, A. Katashev, A. Karlov, N. Polyaka, A. V. Bystrova, A. Patmalnieks, and A. L. Kholkin, J. Phys.: Condens. Matter 23, 065302 (2011), 10.1088/0953-8984/23/6/065302].

Microarray of DNA probes on carboxylate functional beads surface

Institute of Scientific and Technical Information of China (English)

黄承志; 李原芳; 黄新华; 范美坤

2000-01-01

The microarray of DNA probes with 5’ -NH2 and 5’ -Tex/3’ -NH2 modified terminus on 10 um carboxylate functional beads surface in the presence of 1-ethyl-3-(3-dimethylaminopropyl)-carbodiimide (EDC) is characterized in the preseni paper. it was found that the microarray capacity of DNA probes on the beads surface depends on the pH of the aqueous solution, the concentra-tion of DNA probe and the total surface area of the beads. On optimal conditions, the minimum distance of 20 mer single-stranded DNA probe microarrayed on beads surface is about 14 nm, while that of 20 mer double-stranded DNA probes is about 27 nm. If the probe length increases from 20 mer to 35 mer, its microarray density decreases correspondingly. Mechanism study shows that the binding mode of DNA probes on the beads surface is nearly parallel to the beads surface.

Microarray of DNA probes on carboxylate functional beads surface

Institute of Scientific and Technical Information of China (English)

无

2000-01-01

The microarray of DNA probes with 5′-NH2 and 5′-Tex/3′-NH2 modified terminus on 10 m m carboxylate functional beads surface in the presence of 1-ethyl-3-(3-dimethylaminopropyl)- carbodiimide (EDC) is characterized in the present paper. It was found that the microarray capacity of DNA probes on the beads surface depends on the pH of the aqueous solution, the concentration of DNA probe and the total surface area of the beads. On optimal conditions, the minimum distance of 20 mer single-stranded DNA probe microarrayed on beads surface is about 14 nm, while that of 20 mer double-stranded DNA probes is about 27 nm. If the probe length increases from 20 mer to 35 mer, its microarray density decreases correspondingly. Mechanism study shows that the binding mode of DNA probes on the beads surface is nearly parallel to the beads surface.

Surface structure of polymer Gels and emerging functions

CERN Document Server

Kobiki, Y

1999-01-01

We report the surface structure of polymer gels on a submicrometer scale during the volume phase transition. Sponge-like domains with a mesoscopic scale were directly observed in water by using at atomic force microscope (AFM). The surface structure characterized by the domains is discussed in terms of the root-mean-square roughness and the auto-correlation function, which were calculated from the AFM images. In order to demonstrate the role of surface structure in determining the macroscopic properties of film-like poly (N-isopropylacrylamide: NIPA) gels. It was found that the temperature dependence, as well as the absolute values of the static contact angle, were strongly dependent on the bulk network inhomogeneities. The relation between the mesoscopic structure and the macroscopic properties is qualitatively discussed in terms of not only the changes in the chemical, but also in the physical, surface properties of the NIPA gels in response to a temperature change.

The Work Role Functioning Questionnaire v2.0 Showed Consistent Factor Structure Across Six Working Samples

DEFF Research Database (Denmark)

Abma, Femke I.; Bültmann, Ute; Amick, Benjamin C.

2017-01-01

Objective: The Work Role Functioning Questionnaire v2.0 (WRFQ) is an outcome measure linking a persons’ health to the ability to meet work demands in the twenty-first century. We aimed to examine the construct validity of the WRFQ in a heterogeneous set of working samples in the Netherlands...

The Work Role Functioning Questionnaire v2.0 Showed Consistent Factor Structure Across Six Working Samples

NARCIS (Netherlands)

Abma, F.I.; Bultmann, U.; Amick III, B.C.; Arends, I.; Dorland, P.A.; Flach, P.A.; Klink, J.J.L van der; Ven H.A., van de; Bjørner, J.B.

2017-01-01

Objective The Work Role Functioning Questionnaire v2.0 (WRFQ) is an outcome measure linking a persons’ health to the ability to meet work demands in the twenty-first century. We aimed to examine the construct validity of the WRFQ in a heterogeneous set of working samples in the Netherlands with

Evolution of the transfer function characterization of surface scatter phenomena

Science.gov (United States)

Harvey, James E.; Pfisterer, Richard N.

2016-09-01

Based upon the empirical observation that BRDF measurements of smooth optical surfaces exhibited shift-invariant behavior when plotted versus    o , the original Harvey-Shack (OHS) surface scatter theory was developed as a scalar linear systems formulation in which scattered light behavior was characterized by a surface transfer function (STF) reminiscent of the optical transfer function (OTF) of modern image formation theory (1976). This shift-invariant behavior combined with the inverse power law behavior when plotting log BRDF versus log   o was quickly incorporated into several optical analysis software packages. Although there was no explicit smooth-surface approximation in the OHS theory, there was a limitation on both the incident and scattering angles. In 1988 the modified Harvey-Shack (MHS) theory removed the limitation on the angle of incidence; however, a moderate-angle scattering limitation remained. Clearly for large incident angles the BRDF was no longer shift-invariant as a different STF was now required for each incident angle. In 2011 the generalized Harvey-Shack (GHS) surface scatter theory, characterized by a two-parameter family of STFs, evolved into a practical modeling tool to calculate BRDFs from optical surface metrology data for situations that violate the smooth surface approximation inherent in the Rayleigh-Rice theory and/or the moderate-angle limitation of the Beckmann-Kirchhoff theory. And finally, the STF can be multiplied by the classical OTF to provide a complete linear systems formulation of image quality as degraded by diffraction, geometrical aberrations and surface scatter effects from residual optical fabrication errors.

Atomic Resolution Imaging and Quantification of Chemical Functionality of Surfaces

Energy Technology Data Exchange (ETDEWEB)

Schwarz, Udo D. [Yale Univ., New Haven, CT (United States). Dept. of Mechanical Engineering and Materials Science; Altman, Eric I. [Yale Univ., New Haven, CT (United States). Dept. of Chemical and Environmental Engineering

2014-12-10

The work carried out from 2006-2014 under DoE support was targeted at developing new approaches to the atomic-scale characterization of surfaces that include species-selective imaging and an ability to quantify chemical surface interactions with site-specific accuracy. The newly established methods were subsequently applied to gain insight into the local chemical interactions that govern the catalytic properties of model catalysts of interest to DoE. The foundation of our work was the development of three-dimensional atomic force microscopy (3DAFM), a new measurement mode that allows the mapping of the complete surface force and energy fields with picometer resolution in space (x, y, and z) and piconewton/millielectron volts in force/energy. From this experimental platform, we further expanded by adding the simultaneous recording of tunneling current (3D-AFM/STM) using chemically well-defined tips. Through comparison with simulations, we were able to achieve precise quantification and assignment of local chemical interactions to exact positions within the lattice. During the course of the project, the novel techniques were applied to surface-oxidized copper, titanium dioxide, and silicon oxide. On these materials, defect-induced changes to the chemical surface reactivity and electronic charge density were characterized with site-specific accuracy.

Hearing aid noise suppression and working memory function

DEFF Research Database (Denmark)

Neher, Tobias; Wagener, Kirsten C.; Fischer, Rosa-Linde

2018-01-01

OBJECTIVE: Research findings concerning the relation between benefit from hearing aid (HA) noise suppression and working memory function are inconsistent. The current study thus investigated the effects of three noise suppression algorithms on auditory working memory and the relation with reading......-to-noise ratio (SNR) improvement. Auditory working memory was assessed at +6 dB SNR using listening span and N-back paradigms. STUDY SAMPLE: Twenty experienced HA users ages 55-80 with large differences in reading span. RESULTS: For the listening span measurements, there was an influence of HA setting....... CONCLUSIONS: HA noise suppression may affect the recognition and recall of speech at positive SNRs, irrespective of individual reading span. Future work should improve the reliability of the auditory working memory measurements....

Determination of the transfer function for optical surface topography measuring instruments—a review

International Nuclear Information System (INIS)

Foreman, Matthew R; Török, Peter; Giusca, Claudiu L; Leach, Richard K; Coupland, Jeremy M

2013-01-01

A significant number of areal surface topography measuring instruments, largely based on optical techniques, are commercially available. However, implementation of optical instrumentation into production is currently difficult due to the lack of understanding of the complex interaction between the light and the component surface. Studying the optical transfer function of the instrument can help address this issue. Here a review is given of techniques for the measurement of optical transfer functions. Starting from the basis of a spatially coherent, monochromatic confocal scanning imaging system, the theory of optical transfer functions in three-dimensional (3D) imaging is presented. Further generalizations are reviewed allowing the extension of the theory to the description of conventional and interferometric 3D imaging systems. Polychromatic transfer functions and surface topography measurements are also discussed. Following presentation of theoretical results, experimental methods to measure the optical transfer function of each class of system are presented, with a focus on suitable methods for the establishment of calibration standards in 3D imaging and surface topography measurements. (topical review)

Surface modification influencing adsorption of red wine constituents: The role of functional groups

Science.gov (United States)

Mierczynska-Vasilev, Agnieszka; Smith, Paul A.

2016-11-01

The adsorption of wine constituents at solid surfaces is important in applications such as filtration and membrane fouling, binding to tanks and fittings and interactions with processing aids such as bentonite. The interaction of wine constituents with surfaces is mediated through adsorbed wine components, where the type of constituents, amount, orientation, and conformation are of consequence for the surface response. This study examines the effect of surface chemical functionalities on the adsorption of red wine constituents. Plasma-polymerized films rich in amine, carboxyl, hydroxyl, formyl and methyl functional groups were generated on solid substrates whereas, glycidyltrimethylammonium chloride was covalently attached to allylamine plasma-polymer modified surface and poly(sodium styrenesulfonate) was electrostatically adsorbed to an amine plasma-polymerized surface. The surface chemical functionalities were characterized by X-ray photoelectron spectroscopy. The ability of different substrates to adsorb red wine constituents was evaluated by quartz crystal microbalance and atomic force microscopy. The results showed that substrates modified with -SO3H and -COOH groups can adsorb more of the wine nitrogen-containing compounds whereas -NH2 and -NR3 groups encourage carbon-containing compounds adsorption. Red wine constituents after filtration were adsorbed in higher extend on -NR3 and -CHO surfaces. The -OH modified surfaces had the lowest ability to absorb wine components.

The work ability index and functional capacity among older workers

Directory of Open Access Journals (Sweden)

Rosimeire S. Padula

2013-08-01

Full Text Available BACKGROUND: Decreases in functional ability due to aging can impair work capacity and productivity among older workers. OBJECTIVE: This study compares the sociodemographics, health conditions, and physical functioning abilities of young and old workers as well as correlates of physical functioning capacity with the work ability index (WAI. METHOD: This exploratory, cross-sectional study examined employees of a higher education institution (HEI and those of a metallurgical industry. Older workers (50 years old or above were matched for gender and occupation type with younger workers (less than 50 years old. The following evaluations were applied: the multidimensional assessment questionnaire (which included sociodemographic, clinical, health perception, and physical health indices, the WAI, and a battery of physical functional tests. RESULTS: Diseases and regularly used medications were more common among the group of aging workers. The WAI did not differ between groups (p=0.237. Both groups showed similar physical functional capacity performances with regard to walking speed, muscle strength, and lower limb physical functioning. Aging workers showed a poorer performance on a test of right-leg support (p=0.004. The WAI was moderately correlated with the sit-to-stand test among older female workers (r=0.573, p=0.051. CONCLUSIONS: Unfavorable general health conditions did not affect the assessment of work ability or most of the tests of physical functional capacity in the aging group.

Predictors of impaired work functioning in employees with major depression in remission

NARCIS (Netherlands)

de Vries, Gabe; Koeter, Maarten W. J.; Nieuwenhuijsen, Karen; Hees, Hiske L.; Schene, Aart H.

2015-01-01

This study aims to (i) assess work functioning in employees returning to work with a major depression in remission, (ii) study the predictors of impaired work functioning. Participants diagnosed with major depressive disorder (MDD), on long term sick leave (mean 27 weeks) and treated in a

Control of work function of graphene by plasma assisted nitrogen doping

International Nuclear Information System (INIS)

Akada, Keishi; Terasawa, Tomo-o; Imamura, Gaku; Obata, Seiji; Saiki, Koichiro

2014-01-01

Nitrogen doping is expected to provide several intriguing properties to graphene. Nitrogen plasma treatment to defect-free and defective highly oriented pyrolytic graphite (HOPG) samples causes doping of nitrogen atom into the graphene layer. Nitrogen atoms are initially doped at a graphitic site (inside the graphene) for the defect-free HOPG, while doping to a pyridinic or a pyrrolic site (edge of the graphene) is dominant for the defective HOPG. The work function of graphene correlates strongly with the site and amount of doped nitrogen. Nitrogen atoms doped at a graphitic site lower the work function, while nitrogen atoms at a pyridinic or a pyrrolic site increase the work function. Control of plasma treatment time and the amount of initial defect could change the work function of graphite from 4.3 eV to 5.4 eV, which would open a way to tailor the nature of graphene for various industrial applications

Activation of room temperature ferromagnetism in ZnO films by surface functionalization with thiol and amine

International Nuclear Information System (INIS)

Jayalakshmi, G.; Gopalakrishnan, N.; Balasubramanian, T.

2013-01-01

Highlights: ► Room temperature ferromagnetism (RTFM) is observed in surface functionalized ZnO films. ► Surface functionalization is a new approach to make ZnO as ferromagnetic. ► The RTFM is attributed to the interaction between the adsorbates and the surface of ZnO. ► The oxygen vacancies are passivated upon surface functionalization. - Abstract: In this paper, we report the activation of room temperature ferromagnetism in ZnO films by surface functionalization with thiol and amine. The pure and surface functionalized ZnO films have been examined by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), photoluminescence (PL) and vibrating sample magnetometer (VSM) measurements. XRD measurements show that all the films have single phase and (0 0 2) preferred orientation. The chemical bonding of ZnO with thiol and amine molecules has been confirmed by XPS measurements. The quenching of visible emission in PL spectra indicates that the surface defects are passivated by functionalization with thiol and amine. Surface functionalization of ZnO films with thiol and amine induces robust room temperature ferromagnetism in ZnO films as evidenced from VSM measurements. It is concluded that the observed ferromagnetic behavior in functionalized ZnO films is attributed to the different electronegativity of the atom in the thiol (or amine) and the surface of ZnO.

Recent progress on magnetic iron oxide nanoparticles: synthesis, surface functional strategies and biomedical applications

Science.gov (United States)

Wu, Wei; Wu, Zhaohui; Yu, Taekyung; Jiang, Changzhong; Kim, Woo-Sik

2015-01-01

This review focuses on the recent development and various strategies in the preparation, microstructure, and magnetic properties of bare and surface functionalized iron oxide nanoparticles (IONPs); their corresponding biological application was also discussed. In order to implement the practical in vivo or in vitro applications, the IONPs must have combined properties of high magnetic saturation, stability, biocompatibility, and interactive functions at the surface. Moreover, the surface of IONPs could be modified by organic materials or inorganic materials, such as polymers, biomolecules, silica, metals, etc. The new functionalized strategies, problems and major challenges, along with the current directions for the synthesis, surface functionalization and bioapplication of IONPs, are considered. Finally, some future trends and the prospects in these research areas are also discussed. PMID:27877761

Tribological investigations of the applicability of surface functionalization for dry extrusion processes

Science.gov (United States)

Teller, Marco; Prünte, Stephan; Ross, Ingo; Temmler, André; Schneider, Jochen M.; Hirt, Gerhard

2017-10-01

Cold extrusion processes are characterized by large relative contact stresses combined with a severe surface enlargement of the workpiece. Under these process conditions a high risk for galling of workpiece material to the tool steel occurs especially in processing of aluminum and aluminum alloys. In order to reduce adhesive wear lubricants for separation of workpiece and tool surfaces are used. As a consequence additional process steps (e.g. preparation and cleaning of workpieces) are necessary. Thus, the realization of a dry forming process is aspired from an environmental and economic perspective. In this paper a surface functionalization with self-assembled-monolayers (SAM) of the tool steels AISI D2 (DIN 1.2379) and AISI H11 (DIN 1.2343) is evaluated by a process-oriented tribological test. The tribological experiment is able to resemble and scale the process conditions of cold extrusion related to relative contact stress and surface enlargement for the forming of pure aluminum (Al99.5). The effect of reduced relative contact stress, surface enlargement and relative velocity on adhesive wear and tool lifetime is evaluated. Similar process conditions are achievable by different die designs with decreased extrusion ratios and adjusted die angles. The effect of surface functionalization critically depends on the substrate material. The different microstructure and the resulting differences in surface chemistry of the two tested tool steels appear to affect the performance of the tool surface functionalization with SAM.

Measuring dynamic process of working memory training with functional brain networks

Directory of Open Access Journals (Sweden)

Hong Wang

2015-12-01

Full Text Available In this paper, we proposed the functional brain networks and graphic theory method to measure the effect of working memory training on the neural activities. 12 subjects were recruited in this study, and they did the same working memory task before they had been trained and after training. We architected functional brain networks based on EEG coherence and calculated properties of brain networks to measure the neural co-activities and the working memory level of subjects. As the result, the internal connections in frontal region decreased after working memory training, but the connection between frontal region and top region increased. And the more small-world feature was observed after training. The features observed above were in alpha (8-13 Hz and beta (13-30 Hz bands. The functional brain networks based on EEG coherence proposed in this paper can be used as the indicator of working memory level.

An expert system to characterize the surface morphological properties according to their functionalities

International Nuclear Information System (INIS)

Bigerelle, M; Mathia, T; Iost, A; Correvits, T; Anselme, K

2011-01-01

In this paper we propose a new methodology to characterize the morphological properties of a surface in relation with its functionality (tribological properties, surface coating adhesion, brightness, wettability...). We create a software based on experimental design and surface profile recording. Using an appropriate database structure, the roughness parameters are automatically computed at different scales. The surface files are saved in a hard disk directory and roughness parameters are computed at different scales. Finally, a statistical analysis system proposes the roughness parameter (or the pair of roughness parameters) that better describe(s) the functionality of the surface and the spatial scales at which the parameter(s) is (are) the more relevant.

An expert system to characterize the surface morphological properties according to their functionalities

Energy Technology Data Exchange (ETDEWEB)

Bigerelle, M [Laboratoire Roberval, UMR 6253, UTC/CNRS, UTC Centre de Recherches de Royallieu BP 20529, 60205 Compiegne France stol BS1 6BE (United Kingdom); Mathia, T [Laboratoire de Tribologie et Dynamique des Systemes, UMR 5513, Ecole Centrale de Lyon, 36 Av Guy de Collongue, 69134 Ecully Cedex (France); Iost, A [Laboratoire de Mecanique de Lille, UMR CNRS 8107, Arts et Metiers ParisTech - Lille, 8, boulevard Louis XIV 59046 Lille (France); Correvits, T [Laboratoire de Metrologie. Arts et Metiers ParisTech, ENSAM, 8 boulevard Louis XIV, 59046 LILLE Cedex (France); Anselme, K, E-mail: maxence.bigerelle@utc.fr [Institut De Sciences Des Materiaux De Mulhouse, CNRS LRC 7228, 15, rue Jean Starcky, Universite De Haute-Alsace, BP 2488, 68057 Mulhouse (France)

2011-08-19

In this paper we propose a new methodology to characterize the morphological properties of a surface in relation with its functionality (tribological properties, surface coating adhesion, brightness, wettability...). We create a software based on experimental design and surface profile recording. Using an appropriate database structure, the roughness parameters are automatically computed at different scales. The surface files are saved in a hard disk directory and roughness parameters are computed at different scales. Finally, a statistical analysis system proposes the roughness parameter (or the pair of roughness parameters) that better describe(s) the functionality of the surface and the spatial scales at which the parameter(s) is (are) the more relevant.

Functional levels of floor surface roughness for the prevention of slips and falls: clean-and-dry and soapsuds-covered wet surfaces.

Science.gov (United States)

Kim, In-Ju; Hsiao, Hongwei; Simeonov, Peter

2013-01-01

Literature has shown a general trend that slip resistance performance improves with floor surface roughness. However, whether slip resistance properties are linearly correlated with surface topographies of the floors or what roughness levels are required for effective slip resistance performance still remain to be answered. This pilot study aimed to investigate slip resistance properties and identify functional levels of floor surface roughness for practical design applications in reducing the risk of slip and fall incidents. A theory model was proposed to characterize functional levels of surface roughness of floor surfaces by introducing a new concept of three distinctive zones. A series of dynamic friction tests were conducted using 3 shoes and 9 floor specimens under clean-and-dry as well as soapsuds-covered slippery wet environments. The results showed that all the tested floor-shoe combinations provided sufficient slip resistances performance under the clean-and-dry condition. A significant effect of floor type (surface roughness) on dynamic friction coefficient (DFC) was found in the soapsuds-covered wet condition. As compared to the surface roughness effects, the shoe-type effects were relatively small. Under the soapsuds-covered wet condition, floors with 50 μm in Ra roughness scale seemed to represent an upper bound in the functional range of floor surface roughness for slip resistance because further increase of surface roughness provided no additional benefit. A lower bound of the functional range for slip resistance under the soapsuds-covered wet condition was estimated from the requirement of DFC > 0.4 at Ra ≅ 17 μm. Findings from this study may have potential safety implications in the floor surface design for reducing slip and fall hazards. Published by Elsevier Ltd.

Hearing aid noise suppression and working memory function

OpenAIRE

Fischer, Rosa-Linde; Neher, Tobias; Wagener, Kirsten C.

2017-01-01

OBJECTIVE: Research findings concerning the relation between benefit from hearing aid (HA) noise suppression and working memory function are inconsistent. The current study thus investigated the effects of three noise suppression algorithms on auditory working memory and the relation with reading span.DESIGN: Using a computer simulation of bilaterally fitted HAs, four settings were tested: (1) unprocessed, (2) directional microphones, (3) single-channel noise reduction and (4) binaural cohere...

Bike Desks in the Office: Physical Health, Cognitive Function, Work Engagement, and Work Performance.

Science.gov (United States)

Torbeyns, Tine; de Geus, Bas; Bailey, Stephen; De Pauw, Kevin; Decroix, Lieselot; Van Cutsem, Jeroen; Meeusen, Romain

2016-12-01

The aim of this study was to examine the longitudinal effect of implementing bike desks in an office setting on physical health, cognition, and work parameters. Physical health, cognitive function, work engagement, and work performance measured before (T0) and after (T2) the intervention period were compared between office workers who used the bike desk (IG, n = 22) and those who did not (CG, n = 16). The IG cycled approximately 98 minutes/week. The IG showed a significantly lower fat percentage and a trend toward a higher work engagement at T2 relative to T0, while this was not different for the CG. No effects on other parameters of health, cognition, or work performance were found. Providing bike desks in the office positively influences employees' fat percentage and could positively influence work engagement without compromising work performance.

Selective adsorption of bovine hemoglobin on functional TiO2 nano-adsorbents: surface physic-chemical properties determined adsorption activity

Science.gov (United States)

Guo, Shiguang; Zhang, Jianghua; Shao, Mingxue; Zhang, Xia; Liu, Yufeng; Xu, Junli; Meng, Hao; Han, Yide

2015-04-01

Surface functionalized nanoparticles are efficient adsorbents which have shown good potential for protein separation. In this work, we chose two different types of organic molecules, oleic acid (OA) and 3-glycidoxypropyltrimethoxy silane (GPTMS), to functionalize the surface of TiO2 nanoparticles, and we studied the effects of this modification on their surface physicochemical properties in correlation with their selective adsorption of proteins. The results showed that the surface zeta potential and the surface water wettability of the modified TiO2 were significantly changed in comparison with the original TiO2 nanoparticles. The adsorption activities of bovine hemoglobin (BHb) and bovine serum albumin (BSA) on these functionalized TiO2 samples were investigated under different conditions, including pH values, contact time, ion strength, and initial protein concentration. In comparison with the non-specific adsorption of original TiO2, however, both the OA-TiO2 and GPTMS-TiO2 exhibited increased BHb adsorption and decreased BSA adsorption at the same time. Using a binary protein mixture as the adsorption object, a higher separation factor (SF) was obtained for OA-TiO2 under optimum conditions. The different adsorption activities of BHb and BSA on the modified TiO2 were correlated with different interactions at the protein/solid interface, and the chemical force as well as the electrostatic force played an important role in the selective adsorption process.

Sleep disturbances and reduced work functioning in depressive or anxiety disorders.

Science.gov (United States)

van Mill, Josine G; Vogelzangs, Nicole; Hoogendijk, Witte J G; Penninx, Brenda W J H

2013-11-01

We aimed to examine the associations between sleep disturbances and work functioning in an epidemiologic cohort study in subjects with or without depressive or anxiety disorders. There were 707 subjects included in our analyses with depressive or anxiety disorders and 728 subjects without current depressive or anxiety disorders. Insomnia was defined as a score ≥9 using the Insomnia Rating Scale. Self-reported sleep duration was categorized in short, normal, and long (≤6, 7-9, and ≥10 h, respectively). Work absenteeism was defined as none, short (≤2 weeks), or long (>2 weeks). Work performance was defined as not impaired, reduced, or impaired. Logistic regression analyses were performed to examine the associations of sleep disturbances with work functioning. In subjects with psychopathology, insomnia and short sleep duration were significantly associated with impaired work performance (odds ratio [OR] for insomnia, 2.20; [95% confidence interval {CI}, 1.50-3.22]; OR for short sleep, 2.54 [95% CI, 1.66-3.88] compared to normal sleep duration). Insomnia (OR, 2.48 [95% CI, 1.67-3.69]) and short sleep duration (OR, 1.85 [95% CI, 1.23-2.78]) also were associated with long-term absenteeism. These findings remained the same after considering clinical characteristics including medication use and symptom severity. In subjects without psychopathology, no significant associations were found between insomnia and short sleep duration on work functioning after considering subthreshold depression symptoms. In subjects with psychopathology, sleep disturbances were negatively associated with work functioning, independent of disorder severity and use of psychotropic medication. Further research is needed to determine if treatment of sleep disturbances in subjects with psychopathology improves work functioning. Copyright © 2013 Elsevier B.V. All rights reserved.

Combining density functional and incremental post-Hartree-Fock approaches for van der Waals dominated adsorbate-surface interactions: Ag{sub 2}/graphene

Energy Technology Data Exchange (ETDEWEB)

Lara-Castells, María Pilar de, E-mail: Pilar.deLara.Castells@csic.es [Instituto de Física Fundamental (C.S.I.C.), Serrano 123, E-28006 Madrid (Spain); Mitrushchenkov, Alexander O. [Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 bd Descartes, 77454 Marne-la-Vallée (France); Stoll, Hermann [Institut für Theoretische Chemie, Universität Stuttgart, D-70550 Stuttgart (Germany)

2015-09-14

A combined density functional (DFT) and incremental post-Hartree-Fock (post-HF) approach, proven earlier to calculate He-surface potential energy surfaces [de Lara-Castells et al., J. Chem. Phys. 141, 151102 (2014)], is applied to describe the van der Waals dominated Ag{sub 2}/graphene interaction. It extends the dispersionless density functional theory developed by Pernal et al. [Phys. Rev. Lett. 103, 263201 (2009)] by including periodic boundary conditions while the dispersion is parametrized via the method of increments [H. Stoll, J. Chem. Phys. 97, 8449 (1992)]. Starting with the elementary cluster unit of the target surface (benzene), continuing through the realistic cluster model (coronene), and ending with the periodic model of the extended system, modern ab initio methodologies for intermolecular interactions as well as state-of-the-art van der Waals-corrected density functional-based approaches are put together both to assess the accuracy of the composite scheme and to better characterize the Ag{sub 2}/graphene interaction. The present work illustrates how the combination of DFT and post-HF perspectives may be efficient to design simple and reliable ab initio-based schemes in extended systems for surface science applications.

Polystyrene-block-Poly(ionic liquid) Copolymers as Work Function Modifiers in Inverted Organic Photovoltaic Cells.

Science.gov (United States)

Park, Jong Baek; Isik, Mehmet; Park, Hea Jung; Jung, In Hwan; Mecerreyes, David; Hwang, Do-Hoon

2018-02-07

Interfacial layers play a critical role in building up the Ohmic contact between electrodes and functional layers in organic photovoltaic (OPV) solar cells. These layers are based on either inorganic oxides (ZnO and TiO 2 ) or water-soluble organic polymers such as poly[(9,9-dioctyl-2,7-fluorene)-alt-(9,9-bis(3'-(N,N-dimethylamino)propyl)-2,7-fluorene)] and polyethylenimine ethoxylated (PEIE). In this work, we have developed a series of novel poly(ionic liquid) nonconjugated block copolymers for improving the performance of inverted OPV cells by using them as work function modifiers of the indium tin oxide (ITO) cathode. Four nonconjugated polyelectrolytes (n-CPEs) based on polystyrene and imidazolium poly(ionic liquid) (PSImCl) were synthesized by reversible addition-fragmentation chain transfer polymerization. The ratio of hydrophobic/hydrophilic block copolymers was varied depending on the ratio of polystyrene to the PSImCl block. The ionic density, which controls the work function of the electrode by forming an interfacial dipole between the electrode and the block copolymers, was easily tuned by simply changing the PSImCl molar ratio. The inverted OPV device with the ITO/PS 29 -b-PSImCl 60 cathode achieved the best power conversion efficiency (PCE) of 7.55% among the synthesized block copolymers, exhibiting an even higher PCE than that of the reference OPV device with PEIE (7.30%). Furthermore, the surface properties of the block copolymers films were investigated by contact angle measurements to explore the influence of the controlled hydrophobic/hydrophilic characters on the device performances.

Bending energy penalty enhances the adhesive strength of functional amyloid curli to surfaces

Science.gov (United States)

Zhang, Yao; Wang, Ao; DeBenedictis, Elizabeth P.; Keten, Sinan

2017-11-01

The functional amyloid curli fiber, a major proteinaceous component of biofilm extracellular matrices, plays an important role in biofilm formation and enterobacteriaceae adhesion. Curli nanofibers exhibit exceptional underwater adhesion to various surfaces, have high rigidity and strong tensile mechanical properties, and thus hold great promise in biomaterials. The mechanisms of how curli fibers strongly attach to surfaces and detach under force remain elusive. To investigate curli fiber adhesion to surfaces, we developed a coarse-grained curli fiber model, in which the protein subunit CsgA (curli specific gene A) self-assembles into the fiber. The coarse-grained model yields physiologically relevant and tunable bending rigidity and persistence length. The force-induced desorption of a single curli fiber is examined using coarse-grained modeling and theoretical analysis. We find that the bending energy penalty arising from high persistence length enhances the resistance of the curli fiber against desorption and thus strengthens the adhesion of the curli fiber to surfaces. The CsgA-surface adhesion energy and the curli fiber bending rigidity both play crucial roles in the resistance of curli fiber against desorption from surfaces. To enable the desorption process, the applied peeling force must overcome both the interfacial adhesion energy and the energy barrier for bending the curli fiber at the peeling front. We show that the energy barrier to desorption increases with the interfacial adhesion energy, however, the bending induced failure of a single curli fiber limits the work of adhesion if the proportion of the CsgA-surface adhesion energy to the CsgA-CsgA cohesive energy becomes large. These results illustrate that the optimal adhesion performance of nanofibers is dictated by the interplay between bending, surface energy and cohesive energy. Our model provides timely insight into enterobacteriaceae adhesion mechanisms as well as future designs of engineered

Surface Functionalization and Targeting Strategies of Liposomes in Solid Tumor Therapy: A Review

Science.gov (United States)

Riaz, Muhammad Kashif; Riaz, Muhammad Adil; Zhang, Xue; Lin, Congcong; Wong, Ka Hong; Chen, Xiaoyu; Lu, Aiping

2018-01-01

Surface functionalization of liposomes can play a key role in overcoming the current limitations of nanocarriers to treat solid tumors, i.e., biological barriers and physiological factors. The phospholipid vesicles (liposomes) containing anticancer agents produce fewer side effects than non-liposomal anticancer formulations, and can effectively target the solid tumors. This article reviews information about the strategies for targeting of liposomes to solid tumors along with the possible targets in cancer cells, i.e., extracellular and intracellular targets and targets in tumor microenvironment or vasculature. Targeting ligands for functionalization of liposomes with relevant surface engineering techniques have been described. Stimuli strategies for enhanced delivery of anticancer agents at requisite location using stimuli-responsive functionalized liposomes have been discussed. Recent approaches for enhanced delivery of anticancer agents at tumor site with relevant surface functionalization techniques have been reviewed. Finally, current challenges of functionalized liposomes and future perspective of smart functionalized liposomes have been discussed. PMID:29315231

Surface Functionalization and Targeting Strategies of Liposomes in Solid Tumor Therapy: A Review

Directory of Open Access Journals (Sweden)

Muhammad Kashif Riaz

2018-01-01

Full Text Available Surface functionalization of liposomes can play a key role in overcoming the current limitations of nanocarriers to treat solid tumors, i.e., biological barriers and physiological factors. The phospholipid vesicles (liposomes containing anticancer agents produce fewer side effects than non-liposomal anticancer formulations, and can effectively target the solid tumors. This article reviews information about the strategies for targeting of liposomes to solid tumors along with the possible targets in cancer cells, i.e., extracellular and intracellular targets and targets in tumor microenvironment or vasculature. Targeting ligands for functionalization of liposomes with relevant surface engineering techniques have been described. Stimuli strategies for enhanced delivery of anticancer agents at requisite location using stimuli-responsive functionalized liposomes have been discussed. Recent approaches for enhanced delivery of anticancer agents at tumor site with relevant surface functionalization techniques have been reviewed. Finally, current challenges of functionalized liposomes and future perspective of smart functionalized liposomes have been discussed.

Storage and Processing Working Memory Functions in Alzheimer-Type Dementia

OpenAIRE

Vecchi, T.; Saveriano, V.; Paciaroni, L.

1999-01-01

A selective deterioration of working memory functions has been suggested as an explanation of the cognitive decay occurring in normal ageing as well as in Alzheimer-type dementia. Recent studies have highlighted that elderly people’s limitations in working memory functions may be better interpreted when analysing the specific characteristics of the cognitive process (i.e., passive storage or active manipulation of information). In the present study, we have adapted a procedure used to investi...

Improved density functional calculations for atoms, molecules and surfaces

International Nuclear Information System (INIS)

Fricke, B.; Anton, J.; Fritzsche, S.; Sarpe-Tudoran, C.

2005-01-01

The non-collinear and collinear descriptions within relativistic density functional theory is described. We present results of both non-collinear and collinear calculations for atoms, diatomic molecules, and some surface simulations. We find that the accuracy of our density functional calculations for the smaller systems is comparable to good quantum chemical calculations, and thus this method provides a sound basis for larger systems where no such comparison is possible. (author)

Influence of surface position along the working range of conoscopic holography sensors on dimensional verification of AISI 316 wire EDM machined surfaces.

Science.gov (United States)

Fernández, Pedro; Blanco, David; Rico, Carlos; Valiño, Gonzalo; Mateos, Sabino

2014-03-06

Conoscopic holography (CH) is a non-contact interferometric technique used for surface digitization which presents several advantages over other optical techniques such as laser triangulation. Among others, the ability for the reconstruction of high-sloped surfaces stands out, and so does its lower dependence on surface optical properties. Nevertheless, similarly to other optical systems, adjustment of CH sensors requires an adequate selection of configuration parameters for ensuring a high quality surface digitizing. This should be done on a surface located as close as possible to the stand-off distance by tuning frequency (F) and power (P) until the quality indicators Signal-to-Noise Ratio (SNR) and signal envelope (Total) meet proper values. However, not all the points of an actual surface are located at the stand-off distance, but they could be located throughout the whole working range (WR). Thus, the quality of a digitized surface may not be uniform. The present work analyses how the quality of a reconstructed surface is affected by its relative position within the WR under different combinations of the parameters F and P. Experiments have been conducted on AISI 316 wire EDM machined flat surfaces. The number of high-quality points digitized as well as distance measurements between different surfaces throughout the WR allowed for comparing the metrological behaviour of the CH sensor with respect to a touch probe (TP) on a CMM.

Creation of hydrophobic surfaces using a paint containing functionalized oxide particles

Science.gov (United States)

Sino, Paul Albert L.; Herrera, Marvin U.; Balela, Mary Donnabelle L.

2017-05-01

Hydrophobic surfaces were created by coating various substrates (aluminum sheet, soda-lime glass, silicon carbide polishing paper, glass with double-sided adhesive) with paint containing functionalized oxide particles. The paint was created by functionalizing oxide particles (ground ZnO, TiO2 nanoparticles, or TiO2 microparticles) with fluorosilane molecules in absolute ethanol. Water contact angle of samples shows that the coated substrate becomes hydrophobic (water contact angle ≥ 90°). Among the oxides that were used, ground ZnO yielded contact angle exemplifying superhydrophobicity (water contact angle ≥ 150°). Scanning electron micrograph of paint-containing TiO2 nanoparticles shows rough functionalized oxides structures which probably increase the hydrophobicity of the surface.

The surface physics work station: final design

International Nuclear Information System (INIS)

Landers, R.; Kleiman, G.G.; Castro, S.G.C. de; Douglas, R.A.; Nascente, P.A.P.

1996-01-01

Thanks to funding from FAPESP we will be installing in the beginning of 1997 a work station for electron spectroscopy designed for the study of clean solid surfaces and the modification of these surfaces by deposition in situ of ultra thin metallic films. The main analytical tool will be a high resolution hemispherical analyzer made by VSW-Omicrom (EA 125 HR) which is capable of better than 5 meV resolution and high transmission due to its five channeltron multi detection system. The system will also have a Rear View LEED Optics for single crystal studies. The system will be housed in a 16'' cylindrical chamber with mu metal magnetic shielding having two levels for analysis. The upper level will contain instruments for technique which do not require photons such as LEED and sample cleaning. The lower level will have the electron analyzer, conventional X-ray source (Al/Mg), electron gun for Auger, e-beam evaporators for thin film deposition and ports for the future addition of different detectors. We will have a manipulator with 5 degrees of freedom (thre translation and two rotational) and sample heating and LN cooling. Finally we will have a fast entry/preparation chamber. The pumping system will have a combination of turbomolecular and ion pumps for the main chamber and a turbo for the fast entr/prep chamber. The system will be used initially for the study of surface alloys by XPS and Photoelectron Diffraction but as soon as it is properly characterized it will be open for collaborations with other groups interested in using its capabilities. (author)

Influence of ion pairing in ionic liquids on electrical double layer structures and surface force using classical density functional approach.

Science.gov (United States)

Ma, Ke; Forsman, Jan; Woodward, Clifford E

2015-05-07

We explore the influence of ion pairing in room temperature ionic liquids confined by planar electrode surfaces. Using a coarse-grained model for the aromatic ionic liquid [C4MIM(+)][BF4 (-)], we account for an ion pairing component as an equilibrium associating species within a classical density functional theory. We investigated the resulting structure of the electrical double layer as well as the ensuing surface forces and differential capacitance, as a function of the degree of ion association. We found that the short-range structure adjacent to surfaces was remarkably unaffected by the degree of ion pairing, up to several molecular diameters. This was even the case for 100% of ions being paired. The physical implications of ion pairing only become apparent in equilibrium properties that depend upon the long-range screening of charges, such as the asymptotic behaviour of surface forces and the differential capacitance, especially at low surface potential. The effect of ion pairing on capacitance is consistent with their invocation as a source of the anomalous temperature dependence of the latter. This work shows that ion pairing effects on equilibrium properties are subtle and may be difficult to extract directly from simulations.

Simulations of Coulomb systems confined by polarizable surfaces using periodic Green functions.

Science.gov (United States)

Dos Santos, Alexandre P; Girotto, Matheus; Levin, Yan

2017-11-14

We present an efficient approach for simulating Coulomb systems confined by planar polarizable surfaces. The method is based on the solution of the Poisson equation using periodic Green functions. It is shown that the electrostatic energy arising from the surface polarization can be decoupled from the energy due to the direct Coulomb interaction between the ions. This allows us to combine an efficient Ewald summation method, or any other fast method for summing over the replicas, with the polarization contribution calculated using Green function techniques. We apply the method to calculate density profiles of ions confined between the charged dielectric and metal surfaces.

A comparison of reflectance properties on polymer micro-structured functional surface

DEFF Research Database (Denmark)

Regi, Francesco; Li, Dongya; Nielsen, Jannik Boll

In this study, a functional micro-structure surface [1] has been developed as a combination of arrays of micro ridges. The scope of the surface is to achieve specific directional optical properties: that is, under constrained lighting, maximizing the reflectance from a certain viewing direction, ...

Improved adhesion of Ag NPs to the polyethylene terephthalate surface via atmospheric plasma treatment and surface functionalization

Science.gov (United States)

Shen, Tao; Liu, Yong; Zhu, Yan; Yang, De-Quan; Sacher, Edward

2017-07-01

Ag nanoparticles (NPs) have been widely applied, as important antibacterial materials, on textile and polymer surfaces. However, their adhesion to nonreactive polymer surfaces is generally too weak for many applications. Here, we propose a two-step process, atmospheric plasma treatment followed by a surface chemical modification process, which enhances their adhesion to polyethylene terephthalate (PET) surfaces. We found that, compared to either plasma treatments or surface chemical functionalizations, alone, this combination greatly enhanced their adhesion. The plasma treatment resulted in an increase of active sites (sbnd OH, sbnd CHdbnd O and COOH) at the PET surface, permitting increased bonding to 3-aminopropyltriethoxysilane (APTES), whose sbnd NH2 groups were then able to form a bonding complex with the Ag NPs.

Risk factors for poor work functioning of persons with schizophrenia in rural China.

Science.gov (United States)

Ran, Mao-Sheng; Chen, Sheying; Chen, Elaina Y; Ran, Bo-Yu; Tang, Cui-Ping; Lin, Fu-Rong; Li, Li; Li, Si-Gan; Mao, Wen-Jun; Hu, Shi-Hui

2011-11-01

The long-term work performance of persons with schizophrenia in the community is unclear. This study examined the status of long-term work functioning and the predictors of poor work status among patients with schizophrenia in a Chinese rural area. A 10-year follow-up investigation (1994-2004) of a cohort (n = 510) of persons with schizophrenia was conducted in Xinjin County, Chengdu, China. Compared with baseline data, work functioning of patients with schizophrenia deteriorated after 10 years. The rates of not working increased significantly from 12.0% in 1994 to 23.0% in 2004. Bivariate analyses showed that the poor work functioning in 2004 was significantly associated with male gender, older age, older age of first onset, higher level of education, longer duration of illness, lower family economic status, lack of caregivers, poor work status in 1994, living in shabby or unstable house, marked symptoms, and higher score on the Social Disability Screening Schedule (SDSS). In multiple logistic regression analyses, higher score of SDSS and poor work status in 1994 were identified as unique predictors of poor work status in 2004. The status of work functioning of persons with schizophrenia decreased over the course of the illness. The risk factors for poor work functioning and specific socio-cultural environment should be considered in planning community mental health services and rehabilitation for these patients.

Functionalized granular activated carbon and surface complexation with chromates and bi-chromates in wastewater

International Nuclear Information System (INIS)

Singha, Somdutta; Sarkar, Ujjaini; Luharuka, Pallavi

2013-01-01

Cr(VI) is present in the aqueous medium as chromate (CrO 4 2− ) and bi-chromate (HCrO 4 − ). Functionalized granular activated carbons (FACs) are used as adsorbents in the treatment of wastewaters containing hexavalent chromium. The FACs are prepared by chemical modifications of granular activated carbons (GACs) using functionalizing agents like HNO 3 , HCl and HF. The Brunauer, Emmett and Teller surface areas of FAC-HCl (693.5 m 2 /g), FAC-HNO 3 (648.8 m 2 /g) and FAC-HF (726.2 m 2 /g) are comparable to the GAC (777.7 m 2 /g). But, the adsorption capacity of each of the FAC-HNO 3 , FAC-HCl and FAC-HF is found to be higher than the GAC. The functional groups play an important role in the adsorption process and pH has practically no role in this specific case. The FACs have hydrophilic protonated external surfaces in particular, along with the functional surface sites capable to make complexes with the CrO 4 2− and HCrO 4 − present. Surface complex formation is maximized in the order FAC-HNO 3 > FAC-HF > FAC-HCl, in proportion to the total surface acidity. This is also confirmed by the well-known pseudo second-order kinetic model. Physi-sorption equilibrium isotherms are parameterized by using standard Freundlich and Langmuir models. Langmuir fits better. The formation of surface complexes with the functional groups and hexavalent chromium is also revealed in the images of field emission scanning electron micrograph; energy dispersive X-ray spectroscopy and Fourier transform infrared spectroscopy analysis after adsorption. The intra-particle diffusion is not the only rate-controlling factor. The Boyd's film diffusion model fits very well with R 2 as high as 98.1% for FAC-HNO 3 . This result demonstrates that the functionalization of the GAC by acid treatments would increase the diffusion rate, predominantly with a boundary layer diffusion effect. - Highlights: ► Physico-chemical adsorption using functionalized activated carbon (FACs) is applied. ► FACs

Functionalization of silicon nanowire surfaces with metal-organic frameworks

KAUST Repository

Liu, Nian

2011-12-28

Metal-organic frameworks (MOFs) and silicon nanowires (SiNWs) have been extensively studied due to their unique properties; MOFs have high porosity and specific surface area with well-defined nanoporous structure, while SiNWs have valuable one-dimensional electronic properties. Integration of the two materials into one composite could synergistically combine the advantages of both materials and lead to new applications. We report the first example of a MOF synthesized on surface-modified SiNWs. The synthesis of polycrystalline MOF-199 (also known as HKUST-1) on SiNWs was performed at room temperature using a step-by-step (SBS) approach, and X-ray photoelectron spectroscopy, X-ray diffraction, scanning electron microscopy, transmission electron microscopy, and energy dispersive spectroscopy elemental mapping were used to characterize the material. Matching of the SiNW surface functional groups with the MOF organic linker coordinating groups was found to be critical for the growth. Additionally, the MOF morphology can by tuned by changing the soaking time, synthesis temperature and precursor solution concentration. This SiNW/MOF hybrid structure opens new avenues for rational design of materials with novel functionalities. © 2011 Tsinghua University Press and Springer-Verlag Berlin Heidelberg.

Adsorption and oxidation of oxalic acid on anatase TiO2 (001) surface: A density functional theory study.

Science.gov (United States)

Sun, Tao; Wang, Yun; Zhang, Haimin; Liu, Porun; Zhao, Huijun

2015-09-15

Anatase TiO2 (001) surfaces have attracted great interest for photo-degradation of organic species recently due to their high reactivity. In this work, adsorption properties and oxidation mechanisms of oxalic acid on the anatase TiO2 (001) surface have been theoretically investigated using the first-principles density functional theory. Various possible adsorption configurations are considered by diversifying the connectivity of carboxylic groups with the surface. It is found that the adsorption of oxalic acid on the anatase (001) surface prefer the dissociative states. A novel double-bidentate configuration has been found due to the structural match between oxalic acid and the (001) surface. More charge is transferred from the adsorbed oxalic acid to the surface with the double-bidentate configuration when comparing with other adsorption structures. Thus, there is a positive correlation relationship between the transferred charge amount and the interfacial bond numbers when oxalic acid adsorbs on the anatase TiO2 (001) surface. The adsorption energies with dispersion corrections have demonstrated that the van der Waals interactions play an important role in the adsorption, especially when adsorbates are close to the surface. Copyright © 2015 Elsevier Inc. All rights reserved.

The Synthesis of N-Acetyllactosamine Functionalized Dendrimers, and the Functionalization of Silica Surfaces Using Tunable Dendrons and beta-Cyclodextrins

Science.gov (United States)

Ennist, Jessica Helen

Galectin-3 is beta-galactoside binding protein which is found in many healthy cells. In cancer, the galectin-3/tumor-associated Thomsen-Friedenreich antigen (TF antigen) interaction has been implicated in heterotypic and homotypic cellular adhesion and apoptotic signaling pathways. However, a stronger mechanistic understanding of the role of galectin-3 in these processes is needed. N-acetyllactosamine (LacNAc) is a non-native ligand for galectin-3 which binds with comparable affinity to the TF antigen and therefore an important ligand to study galectin-3 mediated processes. To study galectin-3 mediated homotypic cellular aggregation, four generations of polyamidoamine (PAMAM) dendrimers were functionalized with N-acetyllactosamine using a four-step chemoenzymatic route. The enzymatic step controlled the regiochemistry of the galactose addition to N-acetylglucosamine functionalized dendrimers using a recombinant beta-1,4-Galactosyltransferase-/UDP-4'-Gal Epimerase Fusion Protein (lgtB-galE). Homotypic cellular aggregation, which is promoted by the presence of galectin-3 as it binds to glycosides at the cell surface, was studied using HT-1080 fibrosarcoma, A549 lung, and DU-145 prostate cancer cell lines. In the presence of small LacNAc functionalized PAMAM dendrimers, galectin-3 induced cancer cellular aggregation was inhibited. However, the larger glycodendrimers induced homotypic cellular aggregation. Additionally, novel poly(aryl ether) dendronized silica surfaces designed for reversible adsorbtion of targeted analytes were synthesized, and characterization using X-ray Photoelectron Spectroscopy (XPS) was performed. Using a Cu(I) mediated cycloaddition "click" reaction, beta-cyclodextrin was appended to dendronized surfaces via triazole formation and also to a non-dendronized surface for comparison purposes. First generation G(1) dendrons have more than 6 times greater capacity to adsorb targeted analytes than slides functionalized with monomeric beta

Cognitive functioning, aging, and work: A review and recommendations for research and practice.

Science.gov (United States)

Fisher, Gwenith G; Chaffee, Dorey S; Tetrick, Lois E; Davalos, Deana B; Potter, Guy G

2017-07-01

There is a larger proportion and number of older adults in the labor force than ever before. Furthermore, older adults in the workforce are working until later ages. Although a great deal of research has examined physical health and well-being of working older adults, less research has focused on cognitive functioning. The purpose of this article is to provide a broad contemporary and multidisciplinary review of the intersection between cognitive functioning, aging, and work as a follow-up to a paper previously written by Fisher et al. (2014). We begin by providing definitions and background about cognitive functioning and how it changes over the life span. Next we discuss theories relevant to the intersection of cognitive functioning and work, including the use-it-or-lose-it hypothesis, the cognitive reserve hypothesis, hypotheses regarding environmental influences on intellectual functioning, and the job-demands-resources model. Then we summarize recent research about the effects of work on cognitive functioning, as well as ways that cognitive functioning may influence work motivation, learning, development, training, and safety. We conclude by emphasizing the importance of person-environment fit, suggesting avenues for future research, and discussing practical implications for the field of occupational health psychology. (PsycINFO Database Record (c) 2017 APA, all rights reserved).

Surface sensitization mechanism on negative electron affinity p-GaN nanowires

Science.gov (United States)

Diao, Yu; Liu, Lei; Xia, Sihao; Feng, Shu; Lu, Feifei

2018-03-01

The surface sensitization is the key to prepare negative electron affinity photocathode. The thesis emphasizes on the study of surface sensitization mechanism of p-type doping GaN nanowires utilizing first principles based on density function theory. The adsorption energy, work function, dipole moment, geometry structure, electronic structure and optical properties of Mg-doped GaN nanowires surfaces with various coverages of Cs atoms are investigated. The GaN nanowire with Mg doped in core position is taken as the sensitization base. At the initial stage of sensitization, the best adsorption site for Cs atom on GaN nanowire surface is BN, the bridge site of two adjacent N atoms. Surface sensitization generates a p-type internal surface with an n-type surface state, introducing a band bending region which can help reduce surface barrier and work function. With increasing Cs coverage, work functions decrease monotonously and the "Cs-kill" phenomenon disappears. For Cs coverage of 0.75 ML and 1 ML, the corresponding sensitization systems reach negative electron affinity state. Through surface sensitization, the absorption curves are red shifted and the absorption coefficient is cut down. All theoretical calculations can guide the design of negative electron affinity Mg doped GaN nanowires photocathode.

[Research on functional diversity of microorganisms on jujube fruit surface in storage].

Science.gov (United States)

Sha, Yuexia

2009-10-01

Disease during storage caused by microbial infection is a serious problem of jujube fruits. The aim of the study was to characterize the microbial diversity in stored jujube fruits. I used Biolog in experiment. The types of micro-plates were Filamentous Fungi micro-plate and Economicmicro-plate. There was much difference in microbial functional diversity on the surface of stored jujube fruit. The microbial functional diversity of stored 30 days was richer than it of stored 15 days. The diversity, homogeneity and average well color development of jujube used by fruit perservatives were lower than it not used by fruit preservatives. There were six kinds of the characteristic carbon. Our study firstly showed microbial diversity on the surface of stored jujube fruit. Biolog could be applied in the research on microbial functional diversity of fruit surface.

The structure of a working catalyst : from flat surfaces to nanoparticles

NARCIS (Netherlands)

Roobol, Sander Bas

2014-01-01

Catalysis is the working horse of the chemical industry. In many cases, it is a poorly understood process taking place at the surfaces of nanoparticles under relatively harsh conditions, such as high pressures and high temperatures. This thesis focuses on new approaches to acquire atomic-scale

Functional capacity and work ability in patients with chronic musculoskeletal pain

NARCIS (Netherlands)

van der Meer, Suzan

2014-01-01

Patients suffering from chronic low back pain (CLBP) and whiplash associated disorders (WAD) may experience many problems, including in work. Work ability is considered a balance between work demands and personal resources. Functional Capacity Evaluations (FCE) can be used to measure aspects of work

Density functional theory in surface science and heterogeneous catalysis

DEFF Research Database (Denmark)

Nørskov, Jens Kehlet; Scheffler, M.; Toulhoat, H.

2006-01-01

Solid surfaces are used extensively as catalysts throughout the chemical industry, in the energy sector, and in environmental protection. Recently, density functional theory has started providing new insight into the atomic-scale mechanisms of heterogeneous catalysis, helping to interpret the large...

Factors predicting work outcome in Japanese patients with schizophrenia: role of multiple functioning levels.

Science.gov (United States)

Sumiyoshi, Chika; Harvey, Philip D; Takaki, Manabu; Okahisa, Yuko; Sato, Taku; Sora, Ichiro; Nuechterlein, Keith H; Subotnik, Kenneth L; Sumiyoshi, Tomiki

2015-09-01

Functional outcomes in individuals with schizophrenia suggest recovery of cognitive, everyday, and social functioning. Specifically improvement of work status is considered to be most important for their independent living and self-efficacy. The main purposes of the present study were 1) to identify which outcome factors predict occupational functioning, quantified as work hours, and 2) to provide cut-offs on the scales for those factors to attain better work status. Forty-five Japanese patients with schizophrenia and 111 healthy controls entered the study. Cognition, capacity for everyday activities, and social functioning were assessed by the Japanese versions of the MATRICS Cognitive Consensus Battery (MCCB), the UCSD Performance-based Skills Assessment-Brief (UPSA-B), and the Social Functioning Scale Individuals' version modified for the MATRICS-PASS (Modified SFS for PASS), respectively. Potential factors for work outcome were estimated by multiple linear regression analyses (predicting work hours directly) and a multiple logistic regression analyses (predicting dichotomized work status based on work hours). ROC curve analyses were performed to determine cut-off points for differentiating between the better- and poor work status. The results showed that a cognitive component, comprising visual/verbal learning and emotional management, and a social functioning component, comprising independent living and vocational functioning, were potential factors for predicting work hours/status. Cut-off points obtained in ROC analyses indicated that 60-70% achievements on the measures of those factors were expected to maintain the better work status. Our findings suggest that improvement on specific aspects of cognitive and social functioning are important for work outcome in patients with schizophrenia.

Electric fields control the orientation of peptides irreversibly immobilized on radical-functionalized surfaces.

Science.gov (United States)

Martin, Lewis J; Akhavan, Behnam; Bilek, Marcela M M

2018-01-24

Surface functionalization of an implantable device with bioactive molecules can overcome adverse biological responses by promoting specific local tissue integration. Bioactive peptides have advantages over larger protein molecules due to their robustness and sterilizability. Their relatively small size presents opportunities to control the peptide orientation on approach to a surface to achieve favourable presentation of bioactive motifs. Here we demonstrate control of the orientation of surface-bound peptides by tuning electric fields at the surface during immobilization. Guided by computational simulations, a peptide with a linear conformation in solution is designed. Electric fields are used to control the peptide approach towards a radical-functionalized surface. Spontaneous, irreversible immobilization is achieved when the peptide makes contact with the surface. Our findings show that control of both peptide orientation and surface concentration is achieved simply by varying the solution pH or by applying an electric field as delivered by a small battery.

Effects of marital status and shift work on family function among registered nurses.

Science.gov (United States)

Tai, Shu-Yu; Lin, Pei-Chen; Chen, Yao-Mei; Hung, Hsin-Chia; Pan, Chih-Hong; Pan, Shung-Mei; Lee, Chung-Yin; Huang, Chia-Tsuan; Wu, Ming-Tsang

2014-01-01

This study aims to assess the interactive effect of marital status and shift work on family function. A population-based sample of 1,438 nurses between the ages of 20-45 yr was recruited from Taiwan during the period from July 2005 to April 2006 using a mailed questionnaire. The self-administered questionnaire contained information about demographic data, work status, shift work schedule, and the Family APGAR (Adaptation, Partnership, Growth, Affection, and Resolve) Scale, to evaluate family function. Compared to day shift nurses, non-night and rotation shift nurses had 1.53- and 1.38-fold (95% CI=1.09-2.14 and 1.01-1.88) risk to have poor family function after adjusting for other covariates. Married nurses, by contrast, had a 0.44-fold (95% CI=0.29-0.66) risk to have poor family function compared to single nurses. In addition, married nurses who worked non-night or rotation shifts had a significantly higher percent of poor family function than those married nurses working day shifts; however, similar results were not replicated in single nurses. We concluded that shift work and marital status could influence family function.

Effects of Marital Status and Shift Work on Family Function among Registered Nurses

Science.gov (United States)

TAI, Shu-Yu; LIN, Pei-Chen; CHEN, Yao-Mei; HUNG, Hsin-Chia; PAN, Chih-Hong; PAN, Shung-Mei; LEE, Chung-Yin; HUANG, Chia-Tsuan; WU, Ming-Tsang

2014-01-01

This study aims to assess the interactive effect of marital status and shift work on family function. A population-based sample of 1,438 nurses between the ages of 20–45 yr was recruited from Taiwan during the period from July 2005 to April 2006 using a mailed questionnaire. The self-administered questionnaire contained information about demographic data, work status, shift work schedule, and the Family APGAR (Adaptation, Partnership, Growth, Affection, and Resolve) Scale, to evaluate family function. Compared to day shift nurses, non-night and rotation shift nurses had 1.53- and 1.38-fold (95% CI=1.09–2.14 and 1.01–1.88) risk to have poor family function after adjusting for other covariates. Married nurses, by contrast, had a 0.44-fold (95% CI=0.29–0.66) risk to have poor family function compared to single nurses. In addition, married nurses who worked non-night or rotation shifts had a significantly higher percent of poor family function than those married nurses working day shifts; however, similar results were not replicated in single nurses. We concluded that shift work and marital status could influence family function. PMID:24909112

Lung function changes in wildland firefighters working at prescribed burns.

Energy Technology Data Exchange (ETDEWEB)

Adetona, Olorunfemi; Hall, Daniel, B.; Naeher, L,P.

2011-10-01

Although decline in lung function across workshift has been observed in wildland firefighters, measurements have been restricted to days when they worked at fires. Consequently, such results could have been confounded by normal circadian variation associated with lung function. We investigated the across-shift changes in lung function of wildland firefighters, and the effect of cumulative exposure on lung function during the burn season.

Surface functionalization of detonation nanodiamonds by phosphonic dichloride derivatives.

Science.gov (United States)

Presti, Charlene; Alauzun, Johan G; Laurencin, Danielle; Mutin, P Hubert

2014-08-05

A new method for the functionalization of detonation nanodiamonds (DNDs) is proposed, on the basis of surface modification with phosphonic dichloride derivatives. DNDs were first modified by phenylphosphonic dichloride, and the grafting modes and hydrolytic stability under neutral conditions were investigated using (1)H, (13)C, and (31)P solid state NMR spectroscopy, Fourier transform infrared spectroscopy, as well as elemental analysis. Then, in order to illustrate the possibilities offered by this method, DNDs functionalized by mesityl imidazolium groups were obtained by postmodification of DNDs modified by 12-bromododecylphosphonic dichloride. The oxidative thermal stability of the functionalized DNDs was investigated using thermogravimetric analysis.

Probability distribution for the Gaussian curvature of the zero level surface of a random function

Science.gov (United States)

Hannay, J. H.

2018-04-01

A rather natural construction for a smooth random surface in space is the level surface of value zero, or ‘nodal’ surface f(x,y,z)  =  0, of a (real) random function f; the interface between positive and negative regions of the function. A physically significant local attribute at a point of a curved surface is its Gaussian curvature (the product of its principal curvatures) because, when integrated over the surface it gives the Euler characteristic. Here the probability distribution for the Gaussian curvature at a random point on the nodal surface f  =  0 is calculated for a statistically homogeneous (‘stationary’) and isotropic zero mean Gaussian random function f. Capitalizing on the isotropy, a ‘fixer’ device for axes supplies the probability distribution directly as a multiple integral. Its evaluation yields an explicit algebraic function with a simple average. Indeed, this average Gaussian curvature has long been known. For a non-zero level surface instead of the nodal one, the probability distribution is not fully tractable, but is supplied as an integral expression.

Influence of Surface Position along the Working Range of Conoscopic Holography Sensors on Dimensional Verification of AISI 316 Wire EDM Machined Surfaces

Directory of Open Access Journals (Sweden)

Pedro Fernández

2014-03-01

Full Text Available Conoscopic holography (CH is a non-contact interferometric technique used for surface digitization which presents several advantages over other optical techniques such as laser triangulation. Among others, the ability for the reconstruction of high-sloped surfaces stands out, and so does its lower dependence on surface optical properties. Nevertheless, similarly to other optical systems, adjustment of CH sensors requires an adequate selection of configuration parameters for ensuring a high quality surface digitizing. This should be done on a surface located as close as possible to the stand-off distance by tuning frequency (F and power (P until the quality indicators Signal-to-Noise Ratio (SNR and signal envelope (Total meet proper values. However, not all the points of an actual surface are located at the stand-off distance, but they could be located throughout the whole working range (WR. Thus, the quality of a digitized surface may not be uniform. The present work analyses how the quality of a reconstructed surface is affected by its relative position within the WR under different combinations of the parameters F and P. Experiments have been conducted on AISI 316 wire EDM machined flat surfaces. The number of high-quality points digitized as well as distance measurements between different surfaces throughout the WR allowed for comparing the metrological behaviour of the CH sensor with respect to a touch probe (TP on a CMM.

Functional and structural mapping of human cerebral cortex: solutions are in the surfaces

Science.gov (United States)

Van Essen, D. C.; Drury, H. A.; Joshi, S.; Miller, M. I.

1998-01-01

The human cerebral cortex is notorious for the depth and irregularity of its convolutions and for its variability from one individual to the next. These complexities of cortical geography have been a chronic impediment to studies of functional specialization in the cortex. In this report, we discuss ways to compensate for the convolutions by using a combination of strategies whose common denominator involves explicit reconstructions of the cortical surface. Surface-based visualization involves reconstructing cortical surfaces and displaying them, along with associated experimental data, in various complementary formats (including three-dimensional native configurations, two-dimensional slices, extensively smoothed surfaces, ellipsoidal representations, and cortical flat maps). Generating these representations for the cortex of the Visible Man leads to a surface-based atlas that has important advantages over conventional stereotaxic atlases as a substrate for displaying and analyzing large amounts of experimental data. We illustrate this by showing the relationship between functionally specialized regions and topographically organized areas in human visual cortex. Surface-based warping allows data to be mapped from individual hemispheres to a surface-based atlas while respecting surface topology, improving registration of identifiable landmarks, and minimizing unwanted distortions. Surface-based warping also can aid in comparisons between species, which we illustrate by warping a macaque flat map to match the shape of a human flat map. Collectively, these approaches will allow more refined analyses of commonalities as well as individual differences in the functional organization of primate cerebral cortex.

Two process chains for creating functional surfaces on mold for 3D geometry

DEFF Research Database (Denmark)

Zhang, Yang; Hansen, Hans Nørgaard; Pedersen, David Bue

. This paper describes and compares 2 approaches for fabricating micro- structured surfaces suitable for patterning of 3D shape cavity for injection moulding. The application investigated for the research is a part of a fixture for electrodes to be implanted inside human body. It is a ring with four wings......Polymer products with functional surfaces are applied in many fields such as medical and bio technology [1][2]. It is believed that certain types of micro- or nano- structured surfaces can enhance tissue anchoring [3]. However, most technologies for the fabrication of micro-structured functional...... surfaces are still limited to flat geometries or geometries with constant curvature [4] . Typically products that need micro structuring on the surface have a three dimensional and complex geometry. There are huge demand for investigation in establishing the micro structures on the surface of a 3D mold...

Surface functionalization of carbon nanofibers by sol-gel coating of zinc oxide

Energy Technology Data Exchange (ETDEWEB)

Shao Dongfeng [Key Laboratory of Eco-textiles, Ministry of Education, Jiangnan University, Wuxi 214122 (China); Changzhou Textile Garment Institute, Changzhou 213164 (China); Wei Qufu [Key Laboratory of Eco-textiles, Ministry of Education, Jiangnan University, Wuxi 214122 (China)], E-mail: qfwei@jiangnan.edu.cn; Zhang Liwei; Cai Yibing; Jiang Shudong [Key Laboratory of Eco-textiles, Ministry of Education, Jiangnan University, Wuxi 214122 (China)

2008-08-15

In this paper the functional carbon nanofibers were prepared by the carbonization of ZnO coated PAN nanofibers to expand the potential applications of carbon nanofibers. Polyacrylonitrile (PAN) nanofibers were obtained by electrospinning. The electrospun PAN nanofibers were then used as substrates for depositing the functional layer of zinc oxide (ZnO) on the PAN nanofiber surfaces by sol-gel technique. The effects of coating, pre-oxidation and carbonization on the surface morphology and structures of the nanofibers were characterized by X-ray diffraction (XRD), Fourier transform infrared (FTIR) and Scanning electron microscopy (SEM), respectively. The results of SEM showed a significant increase of the size of ZnO nanograins on the surface of nanofibers after the treatments of coating, pre-oxidation and carbonization. The observations by SEM also revealed that ZnO nanoclusters were firmly and clearly distributed on the surface of the carbon nanofibers. FTIR examination also confirmed the deposition of ZnO on the surface of carbon nanofibers. The XRD analysis indicated that the crystal structure of ZnO nanograins on the surface of carbon nanofibers.

Factors predicting work outcome in Japanese patients with schizophrenia: role of multiple functioning levels

Directory of Open Access Journals (Sweden)

Chika Sumiyoshi

2015-09-01

Full Text Available Functional outcomes in individuals with schizophrenia suggest recovery of cognitive, everyday, and social functioning. Specifically improvement of work status is considered to be most important for their independent living and self-efficacy. The main purposes of the present study were 1 to identify which outcome factors predict occupational functioning, quantified as work hours, and 2 to provide cut-offs on the scales for those factors to attain better work status. Forty-five Japanese patients with schizophrenia and 111 healthy controls entered the study. Cognition, capacity for everyday activities, and social functioning were assessed by the Japanese versions of the MATRICS Cognitive Consensus Battery (MCCB, the UCSD Performance-based Skills Assessment-Brief (UPSA-B, and the Social Functioning Scale Individuals’ version modified for the MATRICS-PASS (Modified SFS for PASS, respectively. Potential factors for work outcome were estimated by multiple linear regression analyses (predicting work hours directly and a multiple logistic regression analyses (predicting dichotomized work status based on work hours. ROC curve analyses were performed to determine cut-off points for differentiating between the better- and poor work status. The results showed that a cognitive component, comprising visual/verbal learning and emotional management, and a social functioning component, comprising independent living and vocational functioning, were potential factors for predicting work hours/status. Cut-off points obtained in ROC analyses indicated that 60–70% achievements on the measures of those factors were expected to maintain the better work status. Our findings suggest that improvement on specific aspects of cognitive and social functioning are important for work outcome in patients with schizophrenia.

Working memory assessment in schizophrenia and its correlation with executive functions ability.

Science.gov (United States)

Berberian, Arthur A; Trevisan, Bruna T; Moriyama, Tais S; Montiel, José M; Oliveira, José Ari C; Seabra, Alessandra G

2009-09-01

Working memory impairment is common in schizophrenia and is possibly a cause of multiple features of the disorder. However few studies have replicated such findings of impairment patterns in Brazilian samples. The main target of this study was to assess auditory and visual working memory in patients with schizophrenia, to assess if they work as separate systems, and to correlate working memory deficits with executive functions. Twenty subjects with schizophrenia and twenty healthy subjects matched by gender, age, and schooling have participated. The abilities assessed were auditory and visual working memory, selective attention, inhibitory control, cognitive flexibility, and planning. Patients showed declines in all measures evaluated, except for a measure reaction time of inhibitory control. Auditory working memory was correlated to selective attention, inhibition, flexibility and planning while Visual working memory to planning and flexibility. The present study suggests that working memory and executive functions deficits are present in patients with schizophrenia in the Brazilian sample evaluated. Alterations in executive functions may lead to incapacity of operation of processes of working memory. These findings may contribute to delineate and develop new strategies of schizophrenia treatment in the Brazilian population.