Investigation into the use of molecular hydrogen on the growth of gallium nitride via metal-organic molecular beam epitaxy

Energy Technology Data Exchange (ETDEWEB)

Billingsley, Daniel; Pritchett, David; Henderson, Walter; Carver, Alexander G.; Burnham, Shawn D.; Doolittle, W.A. [Georgia Institute of Technology, School of Electrical and Computer Engineering, 777 Atlantic Dr., Atlanta, GA 30332 (United States)

2008-07-01

Molecular hydrogen (H{sub 2}) has been investigated as a means to improve ammonia nitridation efficiency and attempts to reduce carbon contamination in ammonia-based metal-organic molecular beam epitaxy (MOMBE). A 30% improvement in crystalline quality, inferred from XRD, as well as an increase in subsequent GaN bulk growth rate was observed when bare sapphire was subject to H{sub 2} annealing before nitridation. However, the use of H{sub 2} during GaN homoepitaxy on GaN templates resulted in increased carbon contamination and decreased growth rate of GaN. The results demonstrate promise and proper uses of H{sub 2} during GaN growth under certain conditions. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Hexagonal boron nitride nanoparticles decorated halloysite clay nanotubes as a potential hydrogen storage medium

Energy Technology Data Exchange (ETDEWEB)

Muthu, R. Naresh, E-mail: rnaresh7708@gmail.com; Rajashabala, S. [School of Physics, Madurai Kamaraj University, Madurai-625021, Tamil Nadu (India); Kannan, R. [Department of Physics, University College of Engineering, Anna University, Dindigul-624622 (India); Department of Materials Science and Engineering, Cornell University, Ithaca 14850, New York (United States)

2016-05-23

The light weight and compact hydrogen storage materials is still prerequisite for the carbon free hydrogen fuel cell technology. In this work, the hydrogen storage performance of acid treated halloysite clay nanotubes (A-HNTs) and hexagonal boron nitride (h-BN) nanoparticles decorated acid treated halloysite nanoclay composite (A-HNT-h-BN) are demonstrated, where facile ultrasonic technique is adopted for the synthesis of A-HNT-h-BN nanoclay composite. Hydrogen storage studies were carried out using Sieverts-like hydrogenation setup. The A-HNTs and A-HNT-h-BN nanoclay composite were analyzed by XRD, FTIR, HRTEM, EDX, CHNS-elemental analysis and TGA. The A-HNT-h-BN nanoclay composite shows superior storage capacity of 2.19 wt% at 50 °C compared to the A-HNTs (0.58 wt%). A 100% desorption of stored hydrogen is noted in the temperature range of 138–175 °C. The average binding energy of hydrogen was found to be 0.34 eV for the prepared A-HNT-h-BN nanoclay composite. The excellent storage capability of A-HNT-h-BN nanoclay composite towards hydrogen at ambient temperature may find bright perspective in hydrogen fuel cell technology in near future.

Hexagonal boron nitride nanoparticles decorated halloysite clay nanotubes as a potential hydrogen storage medium

International Nuclear Information System (INIS)

Muthu, R. Naresh; Rajashabala, S.; Kannan, R.

2016-01-01

The light weight and compact hydrogen storage materials is still prerequisite for the carbon free hydrogen fuel cell technology. In this work, the hydrogen storage performance of acid treated halloysite clay nanotubes (A-HNTs) and hexagonal boron nitride (h-BN) nanoparticles decorated acid treated halloysite nanoclay composite (A-HNT-h-BN) are demonstrated, where facile ultrasonic technique is adopted for the synthesis of A-HNT-h-BN nanoclay composite. Hydrogen storage studies were carried out using Sieverts-like hydrogenation setup. The A-HNTs and A-HNT-h-BN nanoclay composite were analyzed by XRD, FTIR, HRTEM, EDX, CHNS-elemental analysis and TGA. The A-HNT-h-BN nanoclay composite shows superior storage capacity of 2.19 wt% at 50 °C compared to the A-HNTs (0.58 wt%). A 100% desorption of stored hydrogen is noted in the temperature range of 138–175 °C. The average binding energy of hydrogen was found to be 0.34 eV for the prepared A-HNT-h-BN nanoclay composite. The excellent storage capability of A-HNT-h-BN nanoclay composite towards hydrogen at ambient temperature may find bright perspective in hydrogen fuel cell technology in near future.

Hexagonal boron nitride nanoparticles decorated halloysite clay nanotubes as a potential hydrogen storage medium

Science.gov (United States)

Muthu, R. Naresh; Rajashabala, S.; Kannan, R.

2016-05-01

The light weight and compact hydrogen storage materials is still prerequisite for the carbon free hydrogen fuel cell technology. In this work, the hydrogen storage performance of acid treated halloysite clay nanotubes (A-HNTs) and hexagonal boron nitride (h-BN) nanoparticles decorated acid treated halloysite nanoclay composite (A-HNT-h-BN) are demonstrated, where facile ultrasonic technique is adopted for the synthesis of A-HNT-h-BN nanoclay composite. Hydrogen storage studies were carried out using Sieverts-like hydrogenation setup. The A-HNTs and A-HNT-h-BN nanoclay composite were analyzed by XRD, FTIR, HRTEM, EDX, CHNS-elemental analysis and TGA. The A-HNT-h-BN nanoclay composite shows superior storage capacity of 2.19 wt% at 50 °C compared to the A-HNTs (0.58 wt%). A 100% desorption of stored hydrogen is noted in the temperature range of 138-175 °C. The average binding energy of hydrogen was found to be 0.34 eV for the prepared A-HNT-h-BN nanoclay composite. The excellent storage capability of A-HNT-h-BN nanoclay composite towards hydrogen at ambient temperature may find bright perspective in hydrogen fuel cell technology in near future.

Anti corrosion layer for stainless steel in molten carbonate fuel cell - comprises phase vapour deposition of titanium nitride, aluminium nitride or chromium nitride layer then oxidising layer in molten carbonate electrolyte

DEFF Research Database (Denmark)

2000-01-01

Forming an anticorrosion protective layer on a stainless steel surface used in a molten carbonate fuel cell (MCFC) - comprises the phase vapour deposition (PVD) of a layer comprising at least one of titanium nitride, aluminium nitride or chromium nitride and then forming a protective layer in situ...

Preparation and characterization of morph-genetic aluminum nitride/carbon composites from filter paper

International Nuclear Information System (INIS)

Wang Wei; Xue Tao; Jin Zhihao; Qiao Guanjun

2008-01-01

Morph-genetic aluminum nitride/carbon composites with cablelike structure were prepared from filter paper template through the surface sol-gel process and carbothermal nitridation reaction. The resulting materials have a hierarchical structure originating from the morphology of cellulose paper. The aluminum nitride/carbon composites have the core-shell microstructure, the core is graphitic carbon, and the shell is aluminum nitride nanocoating formed by carbothermal nitridation reduction of alumina with the interfacial carbon in nitrogen atmosphere. Scanning electron microscopy, energy dispersive X-ray spectroscopy, X-ray diffraction, and transmission electron microscope were employed to characterize the structural morphology and phase compositions of the final products

Synthesis of functional boron or aluminium nitride materials for energy applications (production and storage of hydrogen)

International Nuclear Information System (INIS)

Salameh, Chrystelle

2014-01-01

Porous inorganic materials are of great interest owing to their potential in energy applications. The general objective of the present thesis concerns the development of functional (carbon)nitrides for hydrogen generation and storage (material design, elaboration, properties and applications). The PDCs route, which offers a large number of opportunities in chemistry and ceramic sciences, has been applied to produce functional (carbon)nitrides materials. Firstly, we prepared porous binary systems such as AlN and BN by replicating the structure of CMK-3 and that of activated carbon. After pyrolysis and removal of the template, we demonstrated the feasibility of producing nitrides with tailored porosity. Moreover, by coupling the PDCs route with the aerogel technology, we succeeded in preparing polymer-derived AlN and BN aerogels. We assessed the potential of these porous AlN and BN materials in nano-confinement of two chemical hydrides, namely sodium alanate and ammonia borane, respectively. In both cases, the nano-confinement destabilized the network of the hydride and favored the release of H 2 at low temperature. Besides, in the case of nano-confined ammonia borane, no evolution of undesired gaseous by-products was observed, which means that pure hydrogen was produced in our conditions. Secondly, we prepared porous quaternary systems through the association of AlN/BN with Si-based ceramics. In particular, we investigated the preparation of SiAlCN with tailored porosity by using two approaches: the 'molecular building block' and 'single-source precursor' approaches. Concerning the former, we investigated the preparation of ordered meso-porous materials to be used as catalytic supports for hydrolysis of alkaline solution of sodium borohydride. We succeeded in generating high amounts of H 2 with attractive kinetics. Concerning the latter approach, the work was focused on the investigation of the chemistry of SiAlCN and SiBCN materials with a

Graphitic carbon nitride: Synthesis, characterization and photocatalytic decomposition of nitrous oxide

International Nuclear Information System (INIS)

Praus, Petr; Svoboda, Ladislav; Ritz, Michal; Troppová, Ivana; Šihor, Marcel; Kočí, Kamila

2017-01-01

Graphitic carbon nitride (g-C_3N_4) was synthetized by condensation of melamine at the temperatures of 400–700 °C in air for 2 h and resulting products were characterized and finally tested for the photocatalytic decomposition of nitrous oxide. The characterization methods were elemental analysis, UV–Vis diffuse reflectance spectroscopy (DRS), photoluminescence (PL), Fourier transform infrared (FTIR) and Raman spectroscopy, measurement of specific surface area (SSA), X-ray powder diffraction (XRD), scanning (SEM) and transmission (TEM) electron microscopy. The XRD patterns, FTIR and Raman spectra proved the presence of g-C_3N_4 at above 550 °C but the optimal synthesis temperature of 600–650 °C was found. Under these conditions graphitic carbon nitride of the overall empirical composition of C_6N_9H_2 was formed. At lower temperatures g-C_3N_4 with a higher content of hydrogen was formed but at higher temperatures g-C_3N_4 was decomposed. At the temperatures above 650 °C, its exfoliation was observed. The photocatalytic experiments showed that the activity of all the samples synthetized at 400–700 °C was very similar, that is, within the range of experimental error (5 %). The total conversion of N_2O reached about 43 % after 14 h. - Highlights: • Graphitic carbon nitride (g-C_3N_4) was thermally synthetized from melamine in the range of 400–700 °C. • The optimal temperature was determined at 600–650 °C. • All synthesis products were properly characterized by physico-chemical methods. • Exfoliation of g-C_3N_4 at above 600 °C was observed. • g-C_3N_4 was used for the photocatalytic decomposition of N_2O.

Nanotube bundle oscillators: Carbon and boron nitride nanostructures

International Nuclear Information System (INIS)

Thamwattana, Ngamta; Hill, James M.

2009-01-01

In this paper, we investigate the oscillation of a fullerene that is moving within the centre of a bundle of nanotubes. In particular, certain fullerene-nanotube bundle oscillators, namely C 60 -carbon nanotube bundle, C 60 -boron nitride nanotube bundle, B 36 N 36 -carbon nanotube bundle and B 36 N 36 -boron nitride nanotube bundle are studied using the Lennard-Jones potential and the continuum approach which assumes a uniform distribution of atoms on the surface of each molecule. We address issues regarding the maximal suction energies of the fullerenes which lead to the generation of the maximum oscillation frequency. Since bundles are also found to comprise double-walled nanotubes, this paper also examines the oscillation of a fullerene inside a double-walled nanotube bundle. Our results show that the frequencies obtained for the oscillation within double-walled nanotube bundles are slightly higher compared to those of single-walled nanotube bundle oscillators. Our primary purpose here is to extend a number of established results for carbon to the boron nitride nanostructures.

Structural, electronic and optical properties of carbon nitride

Energy Technology Data Exchange (ETDEWEB)

Cohen, M L [California Univ., Berkeley (United States). Dept. of Physics

1996-05-01

Carbon nitride was proposed as a superhard material and a structural prototype, {beta}-C{sub 3}N{sub 4}, was examined using several theoretical models. Some reports claiming experimental verifications have been made recently. The current status of the theory and experiment is reviewed, and a detailed discussion is presented of calculations of the electronic and optical properties of this material. These calculations predict that {beta}-C{sub 3}N{sub 4} will have a minimum gap which is indirect at 6.4{+-}0.5 eV. A discussion of the possibility of carbon nitride nanotubes is also presented. (orig.)

Catalytic properties of lanthanide amide, imide and nitride formed by thermal degradation of liquid ammonia solutions of Eu and Yb metal

International Nuclear Information System (INIS)

Imamura, H.; Mizuno, K.; Ohishi, K.; Suda, E.; Kanda, K.; Sakata, Y.; Tsuchiya, S.

1998-01-01

The catalytic properties of lanthanide amide, imide and nitride prepared by the use of liquid ammonia solutions of lanthanide metals (Ln=Eu and Yb) were studied for catalytic hydrogenation. The reaction of Eu or Yb metal solutions in liquid ammonia with silica yielded SiO 2 -grafted lanthanide amide in the divalent state. The divalent amide showed catalytic activity for the selective hydrogenation of dienes and benzene. It was found that partial hydrogenation of benzene occurred with a very high selectivity for cyclohexene. Amides of calcium, strontium and barium were examined similarly in connection with catalytic studies on divalent amides. Imide and nitride, into which the lanthanide (Ln/AC) deposited by impregnation of active carbon (AC) with liquid ammonia solutions of lanthanide metals were converted thermally, were studied catalytically. It was concluded that imide or imide-like species generated during the thermal degradation of lanthanide amide to nitride were very active in the hydrogenation of ethene. Lanthanide nitride was virtually inactive, but the nitride highly dispersed on active carbon was activated when subjected to evacuation treatment above about 1000 K. (orig.)

Graphitic carbon nitride: Synthesis, characterization and photocatalytic decomposition of nitrous oxide

Energy Technology Data Exchange (ETDEWEB)

Praus, Petr, E-mail: petr.praus@vsb.cz [Institute of Environmental Technology, VŠB-Technical University of Ostrava, 17. Listopadu 15/2172, Ostrava 708 33 (Czech Republic); Department of Chemistry, Faculty of Metallurgy and Materials Engineering, VŠB-Technical University of Ostrava, 17. Listopadu 15/2172, Ostrava 708 33 (Czech Republic); Svoboda, Ladislav [Institute of Environmental Technology, VŠB-Technical University of Ostrava, 17. Listopadu 15/2172, Ostrava 708 33 (Czech Republic); Department of Chemistry, Faculty of Metallurgy and Materials Engineering, VŠB-Technical University of Ostrava, 17. Listopadu 15/2172, Ostrava 708 33 (Czech Republic); Ritz, Michal [Department of Chemistry, Faculty of Metallurgy and Materials Engineering, VŠB-Technical University of Ostrava, 17. Listopadu 15/2172, Ostrava 708 33 (Czech Republic); Troppová, Ivana; Šihor, Marcel; Kočí, Kamila [Institute of Environmental Technology, VŠB-Technical University of Ostrava, 17. Listopadu 15/2172, Ostrava 708 33 (Czech Republic)

2017-06-01

Graphitic carbon nitride (g-C{sub 3}N{sub 4}) was synthetized by condensation of melamine at the temperatures of 400–700 °C in air for 2 h and resulting products were characterized and finally tested for the photocatalytic decomposition of nitrous oxide. The characterization methods were elemental analysis, UV–Vis diffuse reflectance spectroscopy (DRS), photoluminescence (PL), Fourier transform infrared (FTIR) and Raman spectroscopy, measurement of specific surface area (SSA), X-ray powder diffraction (XRD), scanning (SEM) and transmission (TEM) electron microscopy. The XRD patterns, FTIR and Raman spectra proved the presence of g-C{sub 3}N{sub 4} at above 550 °C but the optimal synthesis temperature of 600–650 °C was found. Under these conditions graphitic carbon nitride of the overall empirical composition of C{sub 6}N{sub 9}H{sub 2} was formed. At lower temperatures g-C{sub 3}N{sub 4} with a higher content of hydrogen was formed but at higher temperatures g-C{sub 3}N{sub 4} was decomposed. At the temperatures above 650 °C, its exfoliation was observed. The photocatalytic experiments showed that the activity of all the samples synthetized at 400–700 °C was very similar, that is, within the range of experimental error (5 %). The total conversion of N{sub 2}O reached about 43 % after 14 h. - Highlights: • Graphitic carbon nitride (g-C{sub 3}N{sub 4}) was thermally synthetized from melamine in the range of 400–700 °C. • The optimal temperature was determined at 600–650 °C. • All synthesis products were properly characterized by physico-chemical methods. • Exfoliation of g-C{sub 3}N{sub 4} at above 600 °C was observed. • g-C{sub 3}N{sub 4} was used for the photocatalytic decomposition of N{sub 2}O.

Radiofrequency cold plasma nitrided carbon steel: Microstructural and micromechanical characterizations

International Nuclear Information System (INIS)

Bouanis, F.Z.; Bentiss, F.; Bellayer, S.; Vogt, J.B.; Jama, C.

2011-01-01

Highlights: → C38 carbon steel samples were plasma nitrided using a radiofrequency (rf) nitrogen plasma discharge. → RF plasma treatment enables nitriding for non-heated substrates. → The morphological and chemical analyses show the formation of a uniform thickness on the surface of the nitrided C38 steel. → Nitrogen plasma active species diffuse into the samples and lead to the formation of Fe x N. → The increase in microhardness values for nitrided samples with plasma processing time is interpreted by the formation of a thicker nitrided layer on the steel surface. - Abstract: In this work, C38 carbon steel was plasma nitrided using a radiofrequency (rf) nitrogen plasma discharge on non-heated substrates. General characterizations were performed to compare the chemical compositions, the microstructures and hardness of the untreated and plasma treated surfaces. The plasma nitriding was carried out on non-heated substrates at a pressure of 16.8 Pa, using N 2 gas. Surface characterizations before and after N 2 plasma treatment were performed by means of the electron probe microanalysis (EPMA), X-ray photoelectron spectroscopy (XPS) and Vickers microhardness measurements. The morphological and chemical analysis showed the formation of a uniform structure on the surface of the nitrided sample with enrichment in nitrogen when compared to untreated sample. The thickness of the nitride layer formed depends on the treatment time duration and is approximately 14 μm for 10 h of plasma treatment. XPS was employed to obtain chemical-state information of the plasma nitrided steel surfaces. The micromechanical results show that the surface microhardness increases as the plasma-processing time increases to reach, 1487 HV 0.005 at a plasma processing time of 8 h.

Radiofrequency cold plasma nitrided carbon steel: Microstructural and micromechanical characterizations

Energy Technology Data Exchange (ETDEWEB)

Bouanis, F.Z. [Universite Lille Nord de France, F-59000 Lille (France); Unite Materiaux et Transformations (UMET), Ingenierie des Systemes Polymeres, CNRS UMR 8207, ENSCL, BP 90108, F-59652 Villeneuve d' Ascq Cedex (France); Bentiss, F. [Laboratoire de Chimie de Coordination et d' Analytique, Faculte des Sciences, Universite Chouaib Doukkali, B.P. 20, M-24000 El Jadida (Morocco); Bellayer, S.; Vogt, J.B. [Universite Lille Nord de France, F-59000 Lille (France); Unite Materiaux et Transformations (UMET), Ingenierie des Systemes Polymeres, CNRS UMR 8207, ENSCL, BP 90108, F-59652 Villeneuve d' Ascq Cedex (France); Jama, C., E-mail: charafeddine.jama@ensc-lille.fr [Universite Lille Nord de France, F-59000 Lille (France); Unite Materiaux et Transformations (UMET), Ingenierie des Systemes Polymeres, CNRS UMR 8207, ENSCL, BP 90108, F-59652 Villeneuve d' Ascq Cedex (France)

2011-05-16

Highlights: {yields} C38 carbon steel samples were plasma nitrided using a radiofrequency (rf) nitrogen plasma discharge. {yields} RF plasma treatment enables nitriding for non-heated substrates. {yields} The morphological and chemical analyses show the formation of a uniform thickness on the surface of the nitrided C38 steel. {yields} Nitrogen plasma active species diffuse into the samples and lead to the formation of Fe{sub x}N. {yields} The increase in microhardness values for nitrided samples with plasma processing time is interpreted by the formation of a thicker nitrided layer on the steel surface. - Abstract: In this work, C38 carbon steel was plasma nitrided using a radiofrequency (rf) nitrogen plasma discharge on non-heated substrates. General characterizations were performed to compare the chemical compositions, the microstructures and hardness of the untreated and plasma treated surfaces. The plasma nitriding was carried out on non-heated substrates at a pressure of 16.8 Pa, using N{sub 2} gas. Surface characterizations before and after N{sub 2} plasma treatment were performed by means of the electron probe microanalysis (EPMA), X-ray photoelectron spectroscopy (XPS) and Vickers microhardness measurements. The morphological and chemical analysis showed the formation of a uniform structure on the surface of the nitrided sample with enrichment in nitrogen when compared to untreated sample. The thickness of the nitride layer formed depends on the treatment time duration and is approximately 14 {mu}m for 10 h of plasma treatment. XPS was employed to obtain chemical-state information of the plasma nitrided steel surfaces. The micromechanical results show that the surface microhardness increases as the plasma-processing time increases to reach, 1487 HV{sub 0.005} at a plasma processing time of 8 h.

Hard template synthesis of porous carbon nitride materials with improved efficiency for photocatalytic CO_2 utilization

International Nuclear Information System (INIS)

Ovcharov, M.; Shcherban, N.; Filonenko, S.; Mishura, A.; Skoryk, M.; Shvalagin, V.; Granchak, V.

2015-01-01

Graphical abstract: - Highlights: • Porous carbon nitrides were obtained via bulk and matrix pyrolysis of melamine. • Carbon nitride obtained in MCF has the highest bandgap and photocatalytic activity. • Acetaldehyde was the major product of the photoreduction reaction of CO2. - Abstract: Porous carbon nitrides of different morphology were obtained via bulk and hard template (SBA-15 and MCF) pyrolysis of melamine. Matrix method allowed obtaining ordered porous C_3N_4 with higher bandgap (2.87 eV) in the contrary to the bulk sample (2.45 eV). Obtained carbon nitrides were found to be p-type semiconductors with catalytic activity towards photoreduction of carbon dioxide with water vapour. Carbon nitride obtained in MCF has the higher bandgap, developed surface, sponge-like morphology, spatially ordering and it's characterized by the highest photocatalytic activity.

Preparation and mechanical properties of carbon nanotube-silicon nitride nano-ceramic matrix composites

Science.gov (United States)

Tian, C. Y.; Jiang, H.

2018-01-01

Carbon nanotube-silicon nitride nano-ceramic matrix composites were fabricated by hot-pressing nano-sized Si3N4 powders and carbon nanotubes. The effect of CNTs on the mechanical properties of silicon nitride was researched. The phase compositions and the microstructure characteristics of the samples as well as the distribution of carbon nanotube in the silicon nitride ceramic were analyzed by X-ray diffraction and scanning electron microscope. The results show that the microstructure of composites consists mainly of α-Si3N4, β-Si3N4, Si2N2O and carbon natubes. The addition of proper amount of carbon nanotubes can improve the fracture toughness and the flexural strength, and the optimal amount of carbon nanotube are both 3wt.%. However the Vickers hardness values decrease with the increase of carbon nanotubes content.

Hydrogen-mediated Nitrogen Clustering in Dilute III-V Nitrides

Energy Technology Data Exchange (ETDEWEB)

Du, M.-H.; Limpijumnong, S.; Zhang, S. B

2006-01-01

First-principles calculation reveals multi-N clusters to be the ground states for hydrogenated N in dilute III-V nitrides. While hydrogenation of a single N, forming H*{sub 2}(N), can relax the large strain induced by the size-mismatched N, formation of the clusters will relax the strain even more effectively. This suppresses the formation of H*{sub 2}(N), the existence of which has recently been debated. More importantly, postgrowth dehydrogenation of the N-H clusters provides an explanation to the observed metastable bare N clusters in GaAsN grown by gas-source molecular beam epitaxy or metal-organic chemical vapor deposition.

Hydrogen-Mediated Nitrogen Clustering in Dilute III-V Nitrides

Science.gov (United States)

Du, Mao-Hua; Limpijumnong, Sukit; Zhang, S. B.

2006-08-01

First-principles calculation reveals multi-N clusters to be the ground states for hydrogenated N in dilute III-V nitrides. While hydrogenation of a single N, forming H2*(N), can relax the large strain induced by the size-mismatched N, formation of the clusters will relax the strain even more effectively. This suppresses the formation of H2*(N), the existence of which has recently been debated. More importantly, postgrowth dehydrogenation of the N-H clusters provides an explanation to the observed metastable bare N clusters in GaAsN grown by gas-source molecular beam epitaxy or metal-organic chemical vapor deposition.

Supramolecular intermediates in the synthesis of polymeric carbon nitride from melamine cyanurate

International Nuclear Information System (INIS)

Dante, Roberto C.; Sánchez-Arévalo, Francisco M.; Chamorro-Posada, Pedro; Vázquez-Cabo, José; Huerta, Lazaro; Lartundo-Rojas, Luis; Santoyo-Salazar, Jaime

2015-01-01

The adduct of melamine and cyanuric acid (MCA) was used in past research to produce polymeric carbon nitride and precursors. The reaction yield was considerably incremented by the addition of sulfuric acid. The polymeric carbon nitride formation occurs around 450 °C at temperatures above the sublimation of the adduct components, which occurs around 400 °C. In this report the effect of sulfuric acid on MCA was investigated. It was found that the MCA rosette supramolecular channel structures behave as a solid solvent able to host small molecules, such as sulfuric acid, inside these channels and interact with them. Therefore, the sulfuric acid effect was found to be close to that of a solute that causes a temperature increment of the “solvent sublimation” enough to allowing the formation of polymeric carbon nitride to occur. Sulfate ions are presumably hosted in the rosette channels of MCA as shown by simulations. - Graphical abstract: The blend of melamine cyanurate and sulfuric acid behaves like a solution so that melamine cyanurate decomposition is shifted to temperatures high enough to react and form polymeric carbon nitride. - Highlights: • The adduct of melamine and cyanuric acid behaves as a solid solvent. • The blend of sulfuric acid and melamine cyanurate behaves like a solution. • Melamine cyanurate decomposition is shifted to higher temperatures by sulfuric acid. • The formation of polymeric carbon nitride occurs for these higher temperatures

Supramolecular intermediates in the synthesis of polymeric carbon nitride from melamine cyanurate

Energy Technology Data Exchange (ETDEWEB)

Dante, Roberto C., E-mail: rcdante@yahoo.com [Facultad de Mecánica, Escuela Politécnica Nacional (EPN), Ladrón de Guevara E11-253, Quito (Ecuador); Sánchez-Arévalo, Francisco M. [Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de Mexico, Apdo. Postal 70-360, Cd. Universitaria, Mexico D.F. 04510 (Mexico); Chamorro-Posada, Pedro [Dpto. de Teoría de la Señal y Comunicaciones e IT, Universidad de Valladolid, ETSI Telecomunicación, Paseo Belén 15, 47011 Valladolid (Spain); Vázquez-Cabo, José [Dpto. de Teoría de la Señal y Comunicaciones, Universidad de Vigo, ETSI Telecomunicación, Lagoas Marcosende s/n, Vigo (Spain); Huerta, Lazaro [Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de Mexico, Apdo. Postal 70-360, Cd. Universitaria, Mexico D.F. 04510 (Mexico); Lartundo-Rojas, Luis [Centro de Nanociencias y Micro y Nanotecnologías—IPN, Luis Enrique Erro s/n, U. Prof. Adolfo López Mateos, 07738 Ciudad de Mexico, Distrito Federal (Mexico); Santoyo-Salazar, Jaime [Departamento de Física, Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional, CINVESTAV-IPN, Apdo. Postal 14-740, Mexico D.F. 07360 (Mexico); and others

2015-03-15

The adduct of melamine and cyanuric acid (MCA) was used in past research to produce polymeric carbon nitride and precursors. The reaction yield was considerably incremented by the addition of sulfuric acid. The polymeric carbon nitride formation occurs around 450 °C at temperatures above the sublimation of the adduct components, which occurs around 400 °C. In this report the effect of sulfuric acid on MCA was investigated. It was found that the MCA rosette supramolecular channel structures behave as a solid solvent able to host small molecules, such as sulfuric acid, inside these channels and interact with them. Therefore, the sulfuric acid effect was found to be close to that of a solute that causes a temperature increment of the “solvent sublimation” enough to allowing the formation of polymeric carbon nitride to occur. Sulfate ions are presumably hosted in the rosette channels of MCA as shown by simulations. - Graphical abstract: The blend of melamine cyanurate and sulfuric acid behaves like a solution so that melamine cyanurate decomposition is shifted to temperatures high enough to react and form polymeric carbon nitride. - Highlights: • The adduct of melamine and cyanuric acid behaves as a solid solvent. • The blend of sulfuric acid and melamine cyanurate behaves like a solution. • Melamine cyanurate decomposition is shifted to higher temperatures by sulfuric acid. • The formation of polymeric carbon nitride occurs for these higher temperatures.

Generation and Characteristics of IV-VI transition Metal Nitride and Carbide Nanoparticles using a Reactive Mesoporous Carbon Nitride

KAUST Repository

Alhajri, Nawal Saad

2016-02-22

Interstitial nitrides and carbides of early transition metals in groups IV–VI exhibit platinum-like electronic structures, which make them promising candidates to replace noble metals in various catalytic reactions. Herein, we present the preparation and characterization of nano-sized transition metal nitries and carbides of groups IV–VI (Ti, V, Nb, Ta, Cr, Mo, and W) using mesoporous graphitic carbon nitride (mpg-C3N4), which not only provides confined spaces for restricting primary particle size but also acts as a chemical source of nitrogen and carbon. We studied the reactivity of the metals with the template under N2 flow at 1023 K while keeping the weight ratio of metal to template constant at unity. The produced nanoparticles were characterized by powder X-ray diffraction, CHN elemental analysis, nitrogen sorption, X-ray photoelectron spectroscopy, and transmission electron microscopy. The results show that Ti, V, Nb, Ta, and Cr form nitride phases with face centered cubic structure, whereas Mo and W forme carbides with hexagonal structures. The tendency to form nitride or carbide obeys the free formation energy of the transition metal nitrides and carbides. This method offers the potential to prepare the desired size, shape and phase of transition metal nitrides and carbides that are suitable for a specific reaction, which is the chief objective of materials chemistry.

Functionalizing carbon nitride with heavy atom-free spin converters for enhanced 1 O 2 generation

Energy Technology Data Exchange (ETDEWEB)

Wu, Wenting; Han, Congcong; Zhang, Qinhua; Zhang, Qinggang; Li, Zhongtao; Gosztola, David J.; Wiederrecht, Gary P.; Wu, Mingbo

2018-05-01

advanced photosensitizers for singlet oxygen (1O2) generation. However, the intersystem crossing (ISC) process is quite insufficient in carbon nitride, limiting the 1O2 generation. Here, we report a facile and general strategy to confined benzophenone as a heavy atom-free spin converter dopant in carbon nitride via the facile copolymerization. With proper energy level matching between the heavy atom-free spin converter and various ligands based on carbon nitride precursors, the proper combination can decrease the singlet-triplet energy gap (DEST) and hence generate 1O2 effectively. Due to its significant and selectivity for 1O2 generation, the as-prepared carbon nitride-based photosensitizer shows a high selective photooxidation activity for 1,5-dihydroxy-naphthalene (1,5-DHN). The product yield reached 71.8% after irradiation for 60 min, which was higher than that of cyclometalated PtII complexes (53.6%) in homogeneous photooxidation. This study can broaden the application of carbon nitride in the field of selective heterogeneous photooxidation due to simple operation, low cost, and high efficiency, making it a strong candidate for future industrialization.

β-Molybdenum nitride: synthesis mechanism and catalytic response in the gas phase hydrogenation of p-chloronitrobenzene

NARCIS (Netherlands)

Cárdenas-Lizana, F.; Gómez-Quero, S.; Perret, N.; Kiwi-Minsker, L.; Keane, M.A.

2011-01-01

A temperature programmed treatment of MoO3 in flowing N2 + H2 has been employed to prepare β-phase molybdenum nitride (β-Mo2N) which has been used to promote, for the first time, the catalytic hydrogenation of p-chloronitrobenzene. The reduction/nitridation synthesis steps have been monitored in

Aspects of the practical application of titanium alloys after low temperature nitriding glow discharge in hydrogen- free -gas media

International Nuclear Information System (INIS)

Mashovets, N.S.; Pastukh, I.M.; Voloshko, S.M.

2017-01-01

Highlights: • Surface modification of titanium alloys were carried out by low-temperature nitriding in a glow discharge in hydrogen-free environment. • Research into the phase composition was performed by X-ray diffraction, X-ray photoelectron spectroscopy (XPS) and Auger electron spectroscopy (AES). • The above material shows the promise of the technology of low-temperature hydrogen-nitriding by glow discharge. This greatly expands the range of practical applications of titanium alloys. - Abstract: X-ray diffraction analysis, X-ray photoelectron spectroscopy, and Electron Auger-spectroscopy investigation of phase transformation on the surface of the VT8 titanium alloy after a low temperature hydrogen-free nitriding in a glow discharge. Operational characteristics of titanium alloys defined physical-mechanical characteristics of the surface and their phase composition, which depend on the process parameters of nitriding. Surface modification of titanium alloys were carried out by low-temperature nitriding in a glow discharge in hydrogen-free environment. The main advantage of this method lies in the absence of hydrogen embrittlement and complete environmental safety process. Application of the glow discharge can not only speed up the process by the order of the diffusion surface saturation with nitrogen, but also significantly alters the kinetics of the process and quality of the nitrided layer, in particular its physio-mechanical properties and phase composition. For research purposes, the standards from an α + β alloy Ti-Al6-Cr2-Mo2,5 (VT8) were used. Research into the phase composition was performed by X-ray diffraction, X-ray photoelectron spectroscopy (XPS) and Auger electron spectroscopy (AES). Stratified analysis by AES was conducted by etching the surface of the samples’ argon ion beam with diameters of 1.5 mm with an energy of 3000 eV and a current density of 400 mA/cm 2 . The above material shows the promise of the technology of low

Aspects of the practical application of titanium alloys after low temperature nitriding glow discharge in hydrogen- free -gas media

Energy Technology Data Exchange (ETDEWEB)

Mashovets, N.S., E-mail: mashovets@rambler.ru [Khmelnickiy National University (Ukraine); Pastukh, I.M., E-mail: pastim@mail.ru [Khmelnickiy National University (Ukraine); Voloshko, S.M. [Khmelnickiy National University (Ukraine); National Technical University of Ukraine “Kyiv Polytechnic Institute” (Ukraine)

2017-01-15

Highlights: • Surface modification of titanium alloys were carried out by low-temperature nitriding in a glow discharge in hydrogen-free environment. • Research into the phase composition was performed by X-ray diffraction, X-ray photoelectron spectroscopy (XPS) and Auger electron spectroscopy (AES). • The above material shows the promise of the technology of low-temperature hydrogen-nitriding by glow discharge. This greatly expands the range of practical applications of titanium alloys. - Abstract: X-ray diffraction analysis, X-ray photoelectron spectroscopy, and Electron Auger-spectroscopy investigation of phase transformation on the surface of the VT8 titanium alloy after a low temperature hydrogen-free nitriding in a glow discharge. Operational characteristics of titanium alloys defined physical-mechanical characteristics of the surface and their phase composition, which depend on the process parameters of nitriding. Surface modification of titanium alloys were carried out by low-temperature nitriding in a glow discharge in hydrogen-free environment. The main advantage of this method lies in the absence of hydrogen embrittlement and complete environmental safety process. Application of the glow discharge can not only speed up the process by the order of the diffusion surface saturation with nitrogen, but also significantly alters the kinetics of the process and quality of the nitrided layer, in particular its physio-mechanical properties and phase composition. For research purposes, the standards from an α + β alloy Ti-Al6-Cr2-Mo2,5 (VT8) were used. Research into the phase composition was performed by X-ray diffraction, X-ray photoelectron spectroscopy (XPS) and Auger electron spectroscopy (AES). Stratified analysis by AES was conducted by etching the surface of the samples’ argon ion beam with diameters of 1.5 mm with an energy of 3000 eV and a current density of 400 mA/cm{sup 2}. The above material shows the promise of the technology of low

Stoichiometric carbon nitride synthesized by ion beam sputtering and post nitrogen ion implantation

International Nuclear Information System (INIS)

Valizadeh, R.; Colligon, J.S.; Katardiev, I.V.; Faunce, C.A.; Donnelly, S.E.

1998-01-01

Full text: Carbon nitride films have been deposited on Si (100) by ion beam sputtering a vitreous graphite target with nitrogen and argon ions with and without concurrent N2 ion bombardment at room temperature. The sputtering beam energy was 1000 eV and the assisted beam energy was 300 eV with ion / atom arrival ratio ranging from 0.5 to 5. The carbon nitride films were deposited both as single layer directly on silicon substrate and as multilayer between two layers of stoichiometric amorphous silicon nitride and polycrystalline titanium nitride. The deposited films were implanted ex-situ with 30 keV nitrogen ions with various doses ranging from 1E17 to 4E17 ions.cm -2 and 2 GeV xenon ion with a dose of 1E12 ions.cm -2 . The nitrogen concentration of the films was measured with Rutherford Backscattering (RBS), Secondary Neutral Mass Spectrometry (SNMS) and Parallel Electron Energy Loss Spectroscopy (PEELS). The nitrogen concentration for as deposited sample was 34 at% and stoichiometric carbon nitride C 3 N 4 was achieved by post nitrogen implantation of the multi-layered films. Post bombardment of single layer carbon nitride films lead to reduction in the total nitrogen concentration. Carbon K edge structure obtained from PEELS analysis suggested that the amorphous C 3 N 4 matrix was predominantly sp 2 bonded. This was confirmed by Fourier Transforrn Infra-Red Spectroscopy (FTIR) analysis of the single CN layer which showed the nitrogen was mostly bonded with carbon in nitrile (C≡N) and imine (C=N) groups. The microstructure of the film was determined by Transmission Electron Microscopy (TEM) which indicated that the films were amorphous

Carbon Nitride Materials as Efficient Catalyst Supports for Proton Exchange Membrane Water Electrolyzers

Directory of Open Access Journals (Sweden)

Ana Belen Jorge

2018-06-01

Full Text Available Carbon nitride materials with graphitic to polymeric structures (gCNH were investigated as catalyst supports for the proton exchange membrane (PEM water electrolyzers using IrO2 nanoparticles as oxygen evolution electrocatalyst. Here, the performance of IrO2 nanoparticles formed and deposited in situ onto carbon nitride support for PEM water electrolysis was explored based on previous preliminary studies conducted in related systems. The results revealed that this preparation route catalyzed the decomposition of the carbon nitride to form a material with much lower N content. This resulted in a significant enhancement of the performance of the gCNH-IrO2 (or N-doped C-IrO2 electrocatalyst that was likely attributed to higher electrical conductivity of the N-doped carbon support.

Half-metallicity and electronic structures for carbon-doped group III-nitrides: Calculated with a modified Becke-Johnson potential

Science.gov (United States)

Fan, Shuai-wei; Wang, Ri-gao; Xu, Pemg

2016-09-01

The electronic structures and magnetism for carbon-doped group III-nitrides are investigated by utilizing the first principle method with the modified Becke-Johnson potential. Calculations show that carbon substituting cations (anions) would induce the group III-nitrides to be paramagnetic metals (half-metallic ferromagnets). Single carbon substituting nitrogen could produce 1.00μB magnetic moment. Electronic structures indicate that the carriers-mediated double-exchange interaction plays a crucial role in forming the ferromagnetism. Based on the mean-field theory, the Curie temperature for carbon-doped group III-nitrides would be above the room temperature. Negative chemical pair interactions imply that carbon dopants tend to form clustering distribution in group III-nitrides. The nitrogen vacancy would make the carbon-doped group III-nitrides lose the half-metallic ferromagnetism.

Defect complexes in carbon and boron nitride nanotubes

CSIR Research Space (South Africa)

Mashapa, MG

2012-05-01

Full Text Available The effect of defect complexes on the stability, structural and electronic properties of single-walled carbon nanotubes and boron nitride nanotubes is investigated using the ab initio pseudopotential density functional method implemented...

Crystalline and amorphous carbon nitride films produced by high-energy shock plasma deposition

International Nuclear Information System (INIS)

Bursilll, L.A.; Peng, Julin; Gurarie, V.N.; Orlov, A.V.; Prawer, S.

1995-01-01

High-energy shock plasma deposition techniques are used to produce carbon-nitride films containing both crystalline and amorphous components. The structures are examined by high-resolution transmission electron microscopy, parallel-electron-energy loss spectroscopy and electron diffraction. The crystalline phase appears to be face-centered cubic with unit cell parameter approx. a=0.63nm and it may be stabilized by calcium and oxygen at about 1-2 at % levels. The carbon atoms appear to have both trigonal and tetrahedral bonding for the crystalline phase. There is PEELS evidence that a significant fraction of the nitrogen atoms have sp 2 trigonal bonds in the crystalline phase. The amorphous carbon-nitride film component varies from essentially graphite, containing virtually no nitrogen, to amorphous carbon-nitride containing up to 10 at % N, where the fraction of sp 3 bonds is significant. 15 refs., 5 figs

Large quantity production of carbon and boron nitride nanotubes by mechano-thermal process

International Nuclear Information System (INIS)

Chen, Y.; Fitzgerald, J.D.; Chadderton, L.; Williams, J.S.; Campbell, S.J.

2002-01-01

Full text: Nanotube materials including carbon and boron nitride have excellent properties compared with bulk materials. The seamless graphene cylinders with a high length to diameter ratio make them as superstrong fibers. A high amount of hydrogen can be stored into nanotubes as future clean fuel source. Theses applications require large quantity of nanotubes materials. However, nanotube production in large quantity, fully controlled quality and low costs remains challenges for most popular synthesis methods such as arc discharge, laser heating and catalytic chemical decomposition. Discovery of new synthesis methods is still crucial for future industrial application. The new low-temperature mechano-thermal process discovered by the current author provides an opportunity to develop a commercial method for bulk production. This mechano-thermal process consists of a mechanical ball milling and a thermal annealing processes. Using this method, both carbon and boron nitride nanotubes were produced. I will present the mechano-thermal method as the new bulk production technique in the conference. The lecture will summarise main results obtained. In the case of carbon nanotubes, different nanosized structures including multi-walled nanotubes, nanocells, and nanoparticles have been produced in a graphite sample using a mechano-thermal process, consisting of I mechanical milling at room temperature for up to 150 hours and subsequent thermal annealing at 1400 deg C. Metal particles have played an important catalytic effect on the formation of different tubular structures. While defect structure of the milled graphite appears to be responsible for the formation of small tubes. It is found that the mechanical treatment of graphite powder produces a disordered and microporous structure, which provides nucleation sites for nanotubes as well as free carbon atoms. Multiwalled carbon nanotubes appear to grow via growth of the (002) layers during thermal annealing. In the case of BN

Sulfur-Doped Carbon Nitride Polymers for Photocatalytic Degradation of Organic Pollutant and Reduction of Cr(VI).

Science.gov (United States)

Zheng, Yun; Yu, Zihao; Lin, Feng; Guo, Fangsong; Alamry, Khalid A; Taib, Layla A; Asiri, Abdullah M; Wang, Xinchen

2017-04-01

As a promising conjugated polymer, binary carbon nitride has attracted extensive attention as a metal-free and visible-light-responsive photocatalyst in the area of photon-involving purification of water and air. Herein, we report sulfur-doped polymeric carbon nitride microrods that are synthesized through thermal polymerization based on trithiocyanuric acid and melamine (TM) supramolecular aggregates. By tuning the polymerization temperature, a series of sulfur-doped carbon nitride microrods are prepared. The degradation of Rhodamine B (RhB) and the reduction of hexavalent chromium Cr(VI) are selected as probe reactions to evaluate the photocatalytic activities. Results show that increasing pyrolysis temperature leads to a large specific surface area, strong visible-light absorption, and accelerated electron-hole separation. Compared to bulk carbon nitride, the highly porous sulfur-doped carbon nitride microrods fabricated at 650 °C exhibit remarkably higher photocatalytic activity for degradation of RhB and reduction of Cr(VI). This work highlights the importance of self-assembly approach and temperature-control strategy in the synthesis of photoactive materials for environmental remediation.

Nanopillar arrays of amorphous carbon nitride

Science.gov (United States)

Sai Krishna, Katla; Pavan Kumar, B. V. V. S.; Eswaramoorthy, Muthusamy

2011-07-01

Nanopillar arrays of amorphous carbon nitride have been prepared using anodic aluminum oxide (AAO) membrane as a template. The amine groups present on the surface of these nanopillars were exploited for functionalization with oleic acid in order to stabilize the nanostructure at the aqueous-organic interface and also for the immobilization of metal nanoparticles and protein. These immobilised nanoparticles were found to have good catalytic activity.

Broadband wavelength conversion in hydrogenated amorphous silicon waveguide with silicon nitride layer

Science.gov (United States)

Wang, Jiang; Li, Yongfang; Wang, Zhaolu; Han, Jing; Huang, Nan; Liu, Hongjun

2018-01-01

Broadband wavelength conversion based on degenerate four-wave mixing is theoretically investigated in a hydrogenated amorphous silicon (a-Si:H) waveguide with silicon nitride inter-cladding layer (a-Si:HN). We have found that enhancement of the non-linear effect of a-Si:H waveguide nitride intermediate layer facilitates broadband wavelength conversion. Conversion bandwidth of 490 nm and conversion efficiency of 11.4 dB were achieved in a numerical simulation of a 4 mm-long a-Si:HN waveguide under 1.55 μm continuous wave pumping. This broadband continuous-wave wavelength converter has potential applications in photonic networks, a type of readily manufactured low-cost highly integrated optical circuits.

Dendritic Tip-on Polytriazine-Based Carbon Nitride Photocatalyst with High Hydrogen Evolution Activity

KAUST Repository

Bhunia, Manas Kumar

2015-11-23

Developing stable, ubiquitous and efficient water-splitting photocatalyst material that has extensive absorption in the visible-light range is desired for a sustainable solar energy-conversion device. We herein report a triazine-based carbon nitride (CN) material with different C/N ratios achieved by varying the monomer composition ratio between melamine (Mel) and 2,4,6-triaminopyrimidine (TAP). The CN material with a different C/N ratio was obtained through a two-step synthesis protocol: starting with the solution state dispersion of the monomers via hydrogen-bonding supramolecular aggregate, followed by a salt-melt high temperature polycondensation. This protocol ensures the production of a highly crystalline polytriazine imide (PTI) structure con-sisting of a copolymerized Mel-TAP network. The observed bandgap narrowing with an increasing TAP/Mel ratio is well simulated by density functional theory (DFT) calculations, revealing a positive shift in the valence band upon substitution of N with CH in the aromatic rings. Increasing the TAP amount could not maintain the crystalline PTI structure, consistent with DFT calculation showing the repulsion associated with additional C-H introduced in the aromatic rings. Due to the high exciton binding energy calculated by DFT for the obtained CN, the cocatalyst must be close to any portion of the material to assist the separation of excit-ed charge carriers for an improved photocatalytic performance. The photocatalytic activity was improved by providing a dendritic tip-on-like shape grown on a porous fibrous silica KCC-1 spheres, and highly dispersed Pt nanoparticles (<5 nm) were photodepos-ited to introduce heterojunction. As a result, the Pt/CN/KCC-1 photocatalyst exhibited an apparent quantum efficiency (AQE) as high as 22.1 ± 3% at 400 nm and the silica was also beneficial for improving photocatalytic stability. The results obtained by time-resolved transient absorption spectroscopy measurements were consistent with

Effect of doping on electronic properties of double-walled carbon and boron nitride hetero-nanotubes

International Nuclear Information System (INIS)

Majidi, R.; Ghafoori Tabrizi, K.; Jalili, S.

2009-01-01

The effect of boron nitride (BN) doping on electronic properties of armchair double-walled carbon and hetero-nanotubes is studied using ab initio molecular dynamics method. The armchair double-walled hetero-nanotubes are predicted to be semiconductor and their electronic structures depend strongly on the electronic properties of the single-walled carbon nanotube. It is found that electronic structures of BN-doped double-walled hetero-nanotubes are intermediate between those of double-walled boron nitride nanotubes and double-walled carbon and boron nitride hetero-nanotubes. Increasing the amount of doping leads to a stronger intertube interaction and also increases the energy gap.

Effect of doping on electronic properties of double-walled carbon and boron nitride hetero-nanotubes

Energy Technology Data Exchange (ETDEWEB)

Majidi, R. [Department of Physics, Shahid Beheshti University, Evin, Tehran 19839-63113 (Iran, Islamic Republic of); Ghafoori Tabrizi, K., E-mail: K-TABRIZI@sbu.ac.i [Department of Physics, Shahid Beheshti University, Evin, Tehran 19839-63113 (Iran, Islamic Republic of); Jalili, S. [Department of Chemistry, K.N. Toosi University of Technology, Tehran 16315-1618 (Iran, Islamic Republic of)

2009-11-01

The effect of boron nitride (BN) doping on electronic properties of armchair double-walled carbon and hetero-nanotubes is studied using ab initio molecular dynamics method. The armchair double-walled hetero-nanotubes are predicted to be semiconductor and their electronic structures depend strongly on the electronic properties of the single-walled carbon nanotube. It is found that electronic structures of BN-doped double-walled hetero-nanotubes are intermediate between those of double-walled boron nitride nanotubes and double-walled carbon and boron nitride hetero-nanotubes. Increasing the amount of doping leads to a stronger intertube interaction and also increases the energy gap.

Annealing effect on the microstructure modification and tribological properties of amorphous carbon nitride films

Science.gov (United States)

Wang, Zhou; Wang, Chengbing; Wang, Qi; Zhang, Junyan

2008-10-01

The influences of thermal annealing on the microstructural and tribological properties of amorphous carbon nitride films were investigated. X-ray photoelectron spectroscopy, Raman spectroscopy, and Fourier transform infrared spectrometer were utilized to characterize bond configuration and chemical state of the films. The results indicated that at low annealing temperatures (200 and 300 °C), the volatile species and surface contamination are easily dissociated without obvious bulk modification; while at high annealing temperatures (400 and 500 °C), the microstructure of carbon nitride films changed and favored a graphitization process, which indicated the growth of more graphitic film structures. The faint Raman signal of C≡N decreased with annealing temperature (TA) and completely disappeared at TA of 500 °C, indicating that nitrile bonds were thermal unstable under high temperature. Surprisingly, the tribological properties of the films showed a remarkably decreasing in friction coefficient as the TA increased; it is attributed to the graphitization of carbon nitride films during thermal annealing, which favored transfer film formation between the carbon nitride films and counterface materials. The transfer films benefit the decrease in coefficient of friction.

Room-temperature low-voltage electroluminescence in amorphous carbon nitride thin films

Science.gov (United States)

Reyes, R.; Legnani, C.; Ribeiro Pinto, P. M.; Cremona, M.; de Araújo, P. J. G.; Achete, C. A.

2003-06-01

White-blue electroluminescent emission with a voltage bias less than 10 V was achieved in rf sputter-deposited amorphous carbon nitride (a-CN) and amorphous silicon carbon nitride (a-SiCN) thin-film-based devices. The heterojunction structures of these devices consist of: Indium tin oxide (ITO), used as a transparent anode; amorphous carbon film as an emission layer, and aluminum as a cathode. The thickness of the carbon films was about 250 Å. In all of the produced diodes, a stable visible emission peaked around 475 nm is observed at room temperature and the emission intensity increases with the current density. For an applied voltage of 14 V, the luminance was about 3 mCd/m2. The electroluminescent properties of the two devices are discussed and compared.

Self-assembly of graphitic carbon nitride nanosheets–carbon nanotube composite for electrochemical simultaneous determination of catechol and hydroquinone

International Nuclear Information System (INIS)

Zhang, Hanqiang; Huang, Yihong; Hu, Shirong; Huang, Qitong; Wei, Chan; Zhang, Wuxiang; Yang, Weize; Dong, Peihui; Hao, Aiyou

2015-01-01

Graphical abstract: Schematic diagram of hydrothermal synthesis graphitic carbon nitride nanosheets-carbon nanotube composite and theirs application for electrochemical sensing catechol and hydroquinone. - Highlights: • Self-assembly of graphitic carbon nitride nanosheets-carbon nanotube composite. • CNNS-CNT show more stronger conductivity than CNNS and CNT. • CNNS-CNT has been performed for detection of catechol and hydroquinone. • The probe was applied to detect practical samples with satisfactory results. - Abstract: In this paper, three-dimensional (3D) graphitic carbon nitride nanosheets-carbon nanotube (CNNS-CNT) composite was synthesized via hydrothermal reaction of 2D CNNS and 1D CNT-COOH by π-π stacking and electrostatic interactions. This CNNS-CNT composite was characterized by transmission electron microscope, scanning electron microscope, x-ray diffraction and fourier-transform infrared. In addition, the CNNS-CNT composite displayed excellent conductivity comparing with CNNS and CNT-COOH monomer. This composite was applied for electrochemical simultaneous determination of catechol (CC) and hydroquinone (HQ) with good sensitivity, wide linear range and low detection limit. In addition, this CNNS-CNT composite modified electrode was also applied to detect practical samples with satisfactory results

SISGR - Hydrogen Caged in Carbon-Exploration of Novel Carbon-Hydrogen Interactions

Energy Technology Data Exchange (ETDEWEB)

Lueking, Angela [Pennsylvania State Univ., State College, PA (United States); Badding, John [Pennsylvania State Univ., State College, PA (United States); Crespi, Vinent [Pennsylvania State Univ., State College, PA (United States)

2015-12-01

Hydrogen trapped in a carbon cage, captured through repulsive interactions, is a novel concept in hydrogen storage. Trapping hydrogen via repulsive interactions borrows an idea from macroscale hydrogen storage (i.e. compressed gas storage tanks) and reapplies these concepts on the nanoscale in specially designed molecular containers. Under extreme conditions of pressure, hydrogen solubility in carbon materials is expected to increase and carbon is expected to restructure to minimize volume via a mixed sp2/sp3 hydrogenated state. Thermodynamics dictate that pre-formed C-H structures will rearrange with increased pressure, yet the final carbon-hydrogen interactions may be dependent upon the mechanism by which hydrogen is introduced. Gas “trapping” is meant to denote gas present in a solid in a high density, adsorbed-like state, when the external pressure is much less than that necessary to provide a comparable fluid density. Trapping thus denotes a kinetically metastable state rather than thermodynamic equilibrium. This project probed mechanochemical means to polymerize select hydrocarbons in the presence of gases, in an attempt to form localized carbon cages that trap gases via repulsive interactions. Aromatic, polyaromatic, and hydroaromatic molecules expected to undergo cyclo-addition reactions were polymerized at high (~GPa) pressures to form extended hydrogenated amorphous carbon networks. Notably, aromatics with a pre-existing internal free volume (such as Triptycene) appeared to retain an internal porosity upon application of pressure. However, a high photoluminescence background after polymerization precluded in situ identification of trapped gases. No spectroscopic evidence was found after depressurization that would be indicative of pockets of trapped gases in a localized high-pressure environment. Control studies suggested this measurement may be insensitive to gases at low pressure. Similarly, no spectral fingerprint was found for gas-imbued spherical

The oxidation of titanium nitride- and silicon nitride-coated stainless steel in carbon dioxide environments

International Nuclear Information System (INIS)

Mitchell, D.R.G.; Stott, F.H.

1992-01-01

A study has been undertaken into the effects of thin titanium nitride and silicon nitride coatings, deposited by physical vapour deposition and chemical vapour deposition processes, on the oxidation resistance of 321 stainless steel in a simulated advanced gas-cooled reactor carbon dioxide environment for long periods at 550 o C and 700 o C under thermal-cycling conditions. The uncoated steel contains sufficient chromium to develop a slow-growing chromium-rich oxide layer at these temperatures, particularly if the surfaces have been machine-abraded. Failure of this layer in service allows formation of less protective iron oxide-rich scales. The presence of a thin (3-4 μm) titanium nitride coating is not very effective in increasing the oxidation resistance since the ensuing titanium oxide scale is not a good barrier to diffusion. Even at 550 o C, iron oxide-rich nodules are able to develop following relatively rapid oxidation and breakdown of the coating. At 700 o C, the coated specimens oxidize at relatively similar rates to the uncoated steel. A thin silicon nitride coating gives improved oxidation resistance, with both the coating and its slow-growing oxide being relatively electrically insulating. The particular silicon nitride coating studied here was susceptible to spallation on thermal cycling, due to an inherently weak coating/substrate interface. (Author)

Determination of aluminium nitride or free nitrogen in low carbon steel

International Nuclear Information System (INIS)

Guetaz, V.; Soler, M.; Massardier, V.; Merlin, J.; Ravaine, D.

2001-01-01

As the aluminium nitrides play an important role in the manufacturing of steel sheets, a specific methodology was developed based on the thermoelectric power (TEP) technique, in order to determine the AIN nitrogen by an indirect method. The free nitrogen was determined and then the AIN nitrogen was calculated by the difference between the total nitrogen and the free nitrogen. Indeed, it is easier to determine the dissolved nitrogen, the content of which gradually decreases during the AIN precipitation, than the AIN nitrogen. A low carbon aluminium killed steel was employed with 580 ppm of aluminium and 50 ppm of nitrogen. A comparison of the results obtained by TEP with those obtained by other techniques (hot hydrogen extraction, electrochemical dissolution followed by a mineralization, electrochemical dissolution followed by a sodic decomposition and the Beeghly method) was conducted, in order to determine a reliable technique likely to quantify the amount of aluminium nitrides in aluminium killed steels. With these techniques, it is possible to determine either free nitrogen or precipitated nitrogen. From an experimental point of view, the precipitation kinetics of AIN was followed during an annealing performed at 973 K (700 C) by TEP and then different precipitation states of AIN were investigated to compare the different techniques: three annealing states (when no nitrogen, half the nitrogen and the total nitrogen has precipitated) and two soaking states (1403 and 1523 K). Thus, it was possible to compare states where the AIN precipitates are in various forms (different shapes, crystallographic structures, sizes, distributions in the matrix). This work showed that the quantification by TEP, hot hydrogen extraction and electrochemical dissolution followed by a mineralization seem reliable whereas the Beeghly method gives good results only for the precipitates formed at high temperatures. In contrast, the quantification by electrochemical dissolution followed by

Urea route to coat inorganic nanowires, carbon fibers and nanotubes by boron nitride

International Nuclear Information System (INIS)

Gomathi, A.; Ramya Harika, M.; Rao, C.N.R.

2008-01-01

A simple route involving urea as the nitrogen source has been employed to carry out boron nitride coating on carbon fibers, multi-walled carbon nanotubes and inorganic nanowires. The process involves heating the carbon fibers and nanotubes or inorganic nanowires in a mixture of H 3 BO 3 and urea, followed by a heat treatment at 1000 deg. C in a N 2 atmosphere. We have been able to characterize the BN coating by transmission electron microscopy as well as X-ray photoelectron spectroscopy. The urea decomposition route affords a simple method to coat boron nitride on one-dimensional nanostructures

Hydrogen storage in carbon nanotubes.

Science.gov (United States)

Hirscher, M; Becher, M

2003-01-01

The article gives a comprehensive overview of hydrogen storage in carbon nanostructures, including experimental results and theoretical calculations. Soon after the discovery of carbon nanotubes in 1991, different research groups succeeded in filling carbon nanotubes with some elements, and, therefore, the question arose of filling carbon nanotubes with hydrogen by possibly using new effects such as nano-capillarity. Subsequently, very promising experiments claiming high hydrogen storage capacities in different carbon nanostructures initiated enormous research activity. Hydrogen storage capacities have been reported that exceed the benchmark for automotive application of 6.5 wt% set by the U.S. Department of Energy. However, the experimental data obtained with different methods for various carbon nanostructures show an extreme scatter. Classical calculations based on physisorption of hydrogen molecules could not explain the high storage capacities measured at ambient temperature, and, assuming chemisorption of hydrogen atoms, hydrogen release requires temperatures too high for technical applications. Up to now, only a few calculations and experiments indicate the possibility of an intermediate binding energy. Recently, serious doubt has arisen in relation to several key experiments, causing considerable controversy. Furthermore, high hydrogen storage capacities measured for carbon nanofibers did not survive cross-checking in different laboratories. Therefore, in light of today's knowledge, it is becoming less likely that at moderate pressures around room temperature carbon nanostructures can store the amount of hydrogen required for automotive applications.

Hydrogen adsorption in new carbon materials

International Nuclear Information System (INIS)

Zubizarreta, L.; Arenillas, A.; Rubiera, F.; Pis, J.J.

2006-01-01

Hydrogen physi-sorption on porous carbon materials is one among the different technologies which could be used for hydrogen storage. In addition hydrogen spillover on a carbon supports can enhance the hydrogen adsorption capacities obtained by physi-sorption. In this study two different carbon supports were synthesised: carbon gels and carbon microspheres. Carbon microspheres were doped with Ni(NO 3 ) 2 to study the hydrogen spillover on carbon support. The texture of the materials was characterised by CO 2 adsorption at 0 C and their hydrogen storage capacity was evaluated at -196 and 10 C with a Micromeritics Tristar 3000, and at room temperature with a high pressure gravimetric analyser. (authors)

Graphitic carbon nitride nanosheets doped graphene oxide for electrochemical simultaneous determination of ascorbic acid, dopamine and uric acid

International Nuclear Information System (INIS)

Zhang, Hanqiang; Huang, Qitong; Huang, Yihong; Li, Feiming; Zhang, Wuxiang; Wei, Chan; Chen, Jianhua; Dai, Pingwang; Huang, Lizhang; Huang, Zhouyi; Kang, Lianping; Hu, Shirong; Hao, Aiyou

2014-01-01

Graphical abstract: Schematic drawing of electrochemical oxidize AA, DA and UA on graphitic carbon nitride nanosheets-graphene oxide composite modified electrode. - Highlights: • Synthesize g-C 3 N 4 , GO and CNNS-GO composite. • CNNS-GO composite was the first time for simultaneous determination of AA, DA and UA. • CNNS-GO/GCE displays fantastic selectivity and sensitivity for AA, DA and UA. • CNNS-GO/GCE was applied to detect real sample with satisfactory results. - Abstract: Graphitic carbon nitride nanosheets with a graphite-like structure have strong covalent bonds between carbon and nitride atoms, and nitrogen atoms in the carbon architecture can accelerate the electron transfer and enhance electrical properties effectually. The graphitic carbon nitride nanosheets-graphene oxide composite was synthesized. And the electrochemical performance of the composite was investigated by cyclic voltammetry and differential pulse voltammetry ulteriorly. Due to the synergistic effects of layer-by-layer structures by π-π stacking or charge-transfer interactions, graphitic carbon nitride nanosheets-graphene oxide composite can improved conductivity, electro-catalytic and selective oxidation performance. The proposed graphitic carbon nitride nanosheets-graphene oxide composite modified electrode was employed for simultaneous determination of ascorbic acid, dopamine and uric acid in their mixture solution, it exhibited distinguished sensitivity, wide linear range and low detection limit. Moreover, the modified electrode was applied to detect urine and dopamine injection sample, and then the samples were spiked with certain concentration of three substances with satisfactory recovery results

Hydrogen adsorption in new carbon materials

Energy Technology Data Exchange (ETDEWEB)

Zubizarreta, L.; Arenillas, A.; Rubiera, F.; Pis, J.J. [Instituto Nacional del Carbon, CSIC, Apartado 73, 33080 Oviedo (Spain)

2006-07-01

Hydrogen physi-sorption on porous carbon materials is one among the different technologies which could be used for hydrogen storage. In addition hydrogen spillover on a carbon supports can enhance the hydrogen adsorption capacities obtained by physi-sorption. In this study two different carbon supports were synthesised: carbon gels and carbon microspheres. Carbon microspheres were doped with Ni(NO{sub 3}){sub 2} to study the hydrogen spillover on carbon support. The texture of the materials was characterised by CO{sub 2} adsorption at 0 C and their hydrogen storage capacity was evaluated at -196 and 10 C with a Micromeritics Tristar 3000, and at room temperature with a high pressure gravimetric analyser. (authors)

2D to 3D transition of polymeric carbon nitride nanosheets

Energy Technology Data Exchange (ETDEWEB)

Chamorro-Posada, Pedro [Dpto. de Teoría de la Señal y Comunicaciones e IT, Universidad de Valladolid, ETSI Telecomunicación, Paseo Belén 15, 47011 Valladolid (Spain); Vázquez-Cabo, José [Dpto. de Teoría de la Señal y Comunicaciones, Universidad de Vigo, ETSI Telecomunicación, Lagoas Marcosende s/n, Vigo (Spain); Sánchez-Arévalo, Francisco M. [Instituto de Investigaciones en Materiales (IIM), Universidad Nacional Autónoma de México, Apdo. Postal 70–360, Cd. Universitaria, México D.F. 04510 (Mexico); Martín-Ramos, Pablo [Dpto. de Teoría de la Señal y Comunicaciones e IT, Universidad de Valladolid, ETSI Telecomunicación, Paseo Belén 15, 47011 Valladolid (Spain); Laboratorio de Materiales Avanzados (Advanced Materials Laboratory) ETSIIAA, Universidad de Valladolid, Avenida de Madrid 44, 34004 Palencia (Spain); Martín-Gil, Jesús; Navas-Gracia, Luis M. [Laboratorio de Materiales Avanzados (Advanced Materials Laboratory) ETSIIAA, Universidad de Valladolid, Avenida de Madrid 44, 34004 Palencia (Spain); Dante, Roberto C., E-mail: rcdante@yahoo.com [Laboratorio de Materiales Avanzados (Advanced Materials Laboratory) ETSIIAA, Universidad de Valladolid, Avenida de Madrid 44, 34004 Palencia (Spain)

2014-11-15

The transition from a prevalent turbostratic arrangement with low planar interactions (2D) to an array of polymeric carbon nitride nanosheets with stronger interplanar interactions (3D), occurring for samples treated above 650 °C, was detected by terahertz-time domain spectroscopy (THz-TDS). The simulated 3D material made of stacks of shifted quasi planar sheets composed of zigzagged polymer ribbons, delivered a XRD simulated pattern in relatively good agreement with the experimental one. The 2D to 3D transition was also supported by the simulation of THz-TDS spectra obtained from quantum chemistry calculations, in which the same broad bands around 2 THz and 1.5 THz were found for 2D and 3D arrays, respectively. This transition was also in accordance with the tightening of the interplanar distance probably due to an interplanar π bond contribution, as evidenced also by a broad absorption around 2.6 eV in the UV–vis spectrum, which appeared in the sample treated at 650 °C, and increased in the sample treated at 700 °C. The band gap was calculated for 1D and 2D cases. The value of 3.374 eV for the 2D case is, within the model accuracy and precision, in a relative good agreement with the value of 3.055 eV obtained from the experimental results. - Graphical abstract: 2D lattice mode vibrations and structural changes correlated with the so called “2D to 3D transition”. - Highlights: • A 2D to 3D transition has been detected for polymeric carbon nitride. • THz-TDS allowed us to discover and detect the 2D to 3D transition of polymeric carbon nitride. • We propose a structure for polymeric carbon nitride confirming it with THz-TDS.

2D to 3D transition of polymeric carbon nitride nanosheets

International Nuclear Information System (INIS)

Chamorro-Posada, Pedro; Vázquez-Cabo, José; Sánchez-Arévalo, Francisco M.; Martín-Ramos, Pablo; Martín-Gil, Jesús; Navas-Gracia, Luis M.; Dante, Roberto C.

2014-01-01

The transition from a prevalent turbostratic arrangement with low planar interactions (2D) to an array of polymeric carbon nitride nanosheets with stronger interplanar interactions (3D), occurring for samples treated above 650 °C, was detected by terahertz-time domain spectroscopy (THz-TDS). The simulated 3D material made of stacks of shifted quasi planar sheets composed of zigzagged polymer ribbons, delivered a XRD simulated pattern in relatively good agreement with the experimental one. The 2D to 3D transition was also supported by the simulation of THz-TDS spectra obtained from quantum chemistry calculations, in which the same broad bands around 2 THz and 1.5 THz were found for 2D and 3D arrays, respectively. This transition was also in accordance with the tightening of the interplanar distance probably due to an interplanar π bond contribution, as evidenced also by a broad absorption around 2.6 eV in the UV–vis spectrum, which appeared in the sample treated at 650 °C, and increased in the sample treated at 700 °C. The band gap was calculated for 1D and 2D cases. The value of 3.374 eV for the 2D case is, within the model accuracy and precision, in a relative good agreement with the value of 3.055 eV obtained from the experimental results. - Graphical abstract: 2D lattice mode vibrations and structural changes correlated with the so called “2D to 3D transition”. - Highlights: • A 2D to 3D transition has been detected for polymeric carbon nitride. • THz-TDS allowed us to discover and detect the 2D to 3D transition of polymeric carbon nitride. • We propose a structure for polymeric carbon nitride confirming it with THz-TDS

Synthesis of metal free ultrathin graphitic carbon nitride sheet for photocatalytic dye degradation of Rhodamine B under visible light irradiation

Science.gov (United States)

Rahman, Shakeelur; Momin, Bilal; Higgins M., W.; Annapure, Uday S.; Jha, Neetu

2018-04-01

In recent times, low cost and metal free photocatalyts driven under visible light have attracted a lot of interest. One such photo catalyst researched extensively is bulk graphitic carbon nitride sheets. But the low surface area and weak mobility of photo generated electrons limits its photocatalytic performance in the visible light spectrum. Here we present the facile synthesis of ultrathin graphitic carbon nitride using a cost effective melamine precursor and its application in highly efficient photocatalytic dye degradation of Rhodamine B molecules. Compared to bulk graphitic carbon nitride, the synthesized ultrathin graphitic carbon nitride shows an increase in surface area, a a decrease in optical band gap and effective photogenerated charge separation which facilitates the harvest of visible light irradiation. Due to these optimal properties of ultrathin graphitic carbon nitride, it shows excellent photocatalytic activity with photocatalytic degradation of about 95% rhodamine B molecules in 1 hour.

Synthesis of IV-VI Transition Metal Carbide and Nitride Nanoparticles Using a Reactive Mesoporous Template for Electrochemical Hydrogen Evolution Reaction

KAUST Repository

Alhajri, Nawal Saad

2016-01-01

content rather than nitride. In addition, the reactivity of the transition metals of group IV-VI with the reactive template was investigated under a flow of N2 at different temperatures in the range of 1023 to 1573 K while keeping the weight ratio constant at 1:1. The results show that Ti, V, Nb, Ta, and Cr reacted with mpg-C3N4 at 1023 K to form nitride phase with face centered cubic structure. The nitride phase destabilized at higher temperature ≥1223 K through the reaction with the remaining carbon residue originated from the decomposition of the template to form carbonitride and carbide phases. Whereas, Mo and W produce a hexagonal structure of carbide irrespective of the applying reaction temperature. The tendency to form transition metal nitrides and carbides at 1023 K was strongly driven by the free energy of formation. The observed trend indicates that the free energy of formation of nitride is relatively lower for group IV and V transition metals, whereas the carbide phase is thermodynamically more favorable for group VI, in particular for Mo and W. The thermal stability of nitride decreases at high temperature due to the evolution of nitrogen gas. The electrocatalytic activities of the produced nanoparticles were tested for hydrogen evolution reaction in acid media and the results demonstrated that molybdenum carbide nanoparticles exhibited the highest HER current with over potential of 100 mV vs. RHE, among the samples prepared in this study. This result is attributed to the sufficiently small particle size (8 nm on average) and accordingly high surface area (308 m2 g-1). Also, the graphitized carbon layer with a thickness of 1 nm on its surface formed by this synthesis provides excellent electron pathway to the catalyst which will improve the rate of electron transfer reaction.

Encapsulation of cisplatin as an anti-cancer drug into boron-nitride and carbon nanotubes: Molecular simulation and free energy calculation

Energy Technology Data Exchange (ETDEWEB)

Roosta, Sara [Molecular Simulation Research Laboratory, Department of Chemistry, Iran University of Science & Technology, Tehran (Iran, Islamic Republic of); Hashemianzadeh, Seyed Majid, E-mail: hashemianzadeh@iust.ac.ir [Molecular Simulation Research Laboratory, Department of Chemistry, Iran University of Science & Technology, Tehran (Iran, Islamic Republic of); Ketabi, Sepideh, E-mail: sepidehketabi@yahoo.com [Department of Chemistry, East Tehran Branch, Islamic Azad University, Tehran (Iran, Islamic Republic of)

2016-10-01

Encapsulation of cisplatin anticancer drug into the single walled (10, 0) carbon nanotube and (10, 0) boron-nitride nanotube was investigated by quantum mechanical calculations and Monte Carlo Simulation in aqueous solution. Solvation free energies and complexation free energies of the cisplatin@ carbon nanotube and cisplatin@ boron-nitride nanotube complexes was determined as well as radial distribution functions of entitled compounds. Solvation free energies of cisplatin@ carbon nanotube and cisplatin@ boron-nitride nanotube were − 4.128 kcal mol{sup −1} and − 2457.124 kcal mol{sup −1} respectively. The results showed that cisplatin@ boron-nitride nanotube was more soluble species in water. In addition electrostatic contribution of the interaction of boron- nitride nanotube complex and solvent was − 281.937 kcal mol{sup −1} which really more than Van der Waals and so the electrostatic interactions play a distinctive role in the solvation free energies of boron- nitride nanotube compounds. On the other hand electrostatic part of the interaction of carbon nanotube complex and solvent were almost the same as Van der Waals contribution. Complexation free energies were also computed to study the stability of related structures and the free energies were negative (− 374.082 and − 245.766 kcal mol{sup −1}) which confirmed encapsulation of drug into abovementioned nanotubes. However, boron-nitride nanotubes were more appropriate for encapsulation due to their larger solubility in aqueous solution. - Highlights: • Solubility of cisplatin@ boron-nitride nanotube is larger than cisplatin@ carbon nanotube. • Boron- nitride nanotube complexes have larger electrostatic contribution in solvation free energy. • Complexation free energies confirm encapsulation of drug into the nanotubes in aqueous solution. • Boron- nitride nanotubes are appropriate drug delivery systems compared with carbon nanotubes.

Encapsulation of cisplatin as an anti-cancer drug into boron-nitride and carbon nanotubes: Molecular simulation and free energy calculation

International Nuclear Information System (INIS)

Roosta, Sara; Hashemianzadeh, Seyed Majid; Ketabi, Sepideh

2016-01-01

Encapsulation of cisplatin anticancer drug into the single walled (10, 0) carbon nanotube and (10, 0) boron-nitride nanotube was investigated by quantum mechanical calculations and Monte Carlo Simulation in aqueous solution. Solvation free energies and complexation free energies of the cisplatin@ carbon nanotube and cisplatin@ boron-nitride nanotube complexes was determined as well as radial distribution functions of entitled compounds. Solvation free energies of cisplatin@ carbon nanotube and cisplatin@ boron-nitride nanotube were − 4.128 kcal mol"−"1 and − 2457.124 kcal mol"−"1 respectively. The results showed that cisplatin@ boron-nitride nanotube was more soluble species in water. In addition electrostatic contribution of the interaction of boron- nitride nanotube complex and solvent was − 281.937 kcal mol"−"1 which really more than Van der Waals and so the electrostatic interactions play a distinctive role in the solvation free energies of boron- nitride nanotube compounds. On the other hand electrostatic part of the interaction of carbon nanotube complex and solvent were almost the same as Van der Waals contribution. Complexation free energies were also computed to study the stability of related structures and the free energies were negative (− 374.082 and − 245.766 kcal mol"−"1) which confirmed encapsulation of drug into abovementioned nanotubes. However, boron-nitride nanotubes were more appropriate for encapsulation due to their larger solubility in aqueous solution. - Highlights: • Solubility of cisplatin@ boron-nitride nanotube is larger than cisplatin@ carbon nanotube. • Boron- nitride nanotube complexes have larger electrostatic contribution in solvation free energy. • Complexation free energies confirm encapsulation of drug into the nanotubes in aqueous solution. • Boron- nitride nanotubes are appropriate drug delivery systems compared with carbon nanotubes.

Silicon nitride gradient film as the underlayer of ultra-thin tetrahedral amorphous carbon overcoat for magnetic recording slider

Energy Technology Data Exchange (ETDEWEB)

Wang Guigen, E-mail: wanggghit@yahoo.com [Shenzhen Graduate School, Harbin Institute of Technology, Shenzhen 518055 (China); Kuang Xuping; Zhang Huayu; Zhu Can [Shenzhen Graduate School, Harbin Institute of Technology, Shenzhen 518055 (China); Han Jiecai [Shenzhen Graduate School, Harbin Institute of Technology, Shenzhen 518055 (China); Center for Composite Materials, Harbin Institute of Technology, Harbin 150080 (China); Zuo Hongbo [Center for Composite Materials, Harbin Institute of Technology, Harbin 150080 (China); Ma Hongtao [SAE Technologies Development (Dongguan) Co., Ltd., Dongguan 523087 (China)

2011-12-15

Highlights: Black-Right-Pointing-Pointer The ultra-thin carbon films with different silicon nitride (Si-N) film underlayers were prepared. Black-Right-Pointing-Pointer It highlighted the influences of Si-N underlayers. Black-Right-Pointing-Pointer The carbon films with Si-N underlayers obtained by nitriding especially at the substrate bias of -150 V, can exhibit better corrosion protection properties - Abstract: There are higher technical requirements for protection overcoat of magnetic recording slider used in high-density storage fields for the future. In this study, silicon nitride (Si-N) composition-gradient films were firstly prepared by nitriding of silicon thin films pre-sputtered on silicon wafers and magnetic recording sliders, using microwave electron cyclotron resonance plasma source. The ultra-thin tetrahedral amorphous carbon films were then deposited on the Si-N films by filtered cathodic vacuum arc method. Compared with amorphous carbon overcoats with conventional silicon underlayers, the overcoats with Si-N underlayers obtained by plasma nitriding especially at the substrate bias of -150 V, can provide better corrosion protection for high-density magnetic recording sliders.

Silicon nitride gradient film as the underlayer of ultra-thin tetrahedral amorphous carbon overcoat for magnetic recording slider

International Nuclear Information System (INIS)

Wang Guigen; Kuang Xuping; Zhang Huayu; Zhu Can; Han Jiecai; Zuo Hongbo; Ma Hongtao

2011-01-01

Highlights: ► The ultra-thin carbon films with different silicon nitride (Si-N) film underlayers were prepared. ► It highlighted the influences of Si-N underlayers. ► The carbon films with Si-N underlayers obtained by nitriding especially at the substrate bias of −150 V, can exhibit better corrosion protection properties - Abstract: There are higher technical requirements for protection overcoat of magnetic recording slider used in high-density storage fields for the future. In this study, silicon nitride (Si-N) composition-gradient films were firstly prepared by nitriding of silicon thin films pre-sputtered on silicon wafers and magnetic recording sliders, using microwave electron cyclotron resonance plasma source. The ultra-thin tetrahedral amorphous carbon films were then deposited on the Si-N films by filtered cathodic vacuum arc method. Compared with amorphous carbon overcoats with conventional silicon underlayers, the overcoats with Si-N underlayers obtained by plasma nitriding especially at the substrate bias of −150 V, can provide better corrosion protection for high-density magnetic recording sliders.

Hydrogen adsorption in carbon nanostructures compared

NARCIS (Netherlands)

Schimmel, H.G.; Nijkamp, M.G.; Kearley, G.J.; Rivera, A.; de Jong, K.P.; Mulder, F.M.

2004-01-01

Recent reports continue to suggest high hydrogen storage capacities for some carbon nanostructures due to a stronger interaction between hydrogen and carbon. Here the interaction of hydrogen with activated charcoal, carbon nanofibers, single walled carbon nanotubes (SWNT), and electron beam ‘opened’

Synthesis of carbon nitride powder by selective etching of TiC0.3N0.7 in chlorine-containing atmosphere at moderate temperature

International Nuclear Information System (INIS)

Sui Jian; Lu Jinjun

2010-01-01

We reported the synthesis of carbon nitride powder by extracting titanium from single inorganic precursor TiC 0.3 N 0.7 in chlorine-containing atmosphere at ambient pressure and temperature not exceeding 500 deg. C. The TiC 0.3 N 0.7 crystalline structure acted as a template, supplying active carbon and nitrogen atoms for carbon nitride when it was destroyed in chlorination. X-ray diffraction data showed that the obtained carbon nitride powders were amorphous, which was in good agreement with transmission electron microscope analysis. The composition and structure of carbon nitride powders were analyzed by employing Fourier transform infrared spectroscopy, Raman spectroscopy, and X-ray photoelectron spectroscopy. Results indicated that disorder structure was most likely for the carbon nitride powders and the N content depended greatly on the chlorination temperature. Thermal analysis in flowing N 2 indicated that the mass loss started from 300 deg. C and the complete decomposition occurred at around 650 deg. C, confirming the low thermal stability of the carbon nitride material.

Hydrogen Storage in Carbon Nano-materials

International Nuclear Information System (INIS)

David Eyler; Michel Junker; Emanuelle Breysse Carraboeuf; Laurent Allidieres; David Guichardot; Fabien Roy; Isabelle Verdier; Edward Mc Rae; Moulay Rachid Babaa; Gilles Flamant; David Luxembourg; Daniel Laplaze; Patrick Achard; Sandrine Berthon-Fabry; David Langohr; Laurent Fulcheri

2006-01-01

This paper presents the results of a French project related to hydrogen storage in carbon nano-materials. This 3 years project, co-funded by the ADEME (French Agency for the Environment and the Energy Management), aimed to assess the hydrogen storage capacity of carbon nano-materials. Four different carbon materials were synthesized and characterized in the frame of present project: - Carbon Nano-tubes; - Carbon Nano-fibres; - Carbon Aerogel; - Carbon Black. All materials tested in the frame of this project present a hydrogen uptake of less than 1 wt% (-20 C to 20 C). A state of the art of hydrogen storage systems has been done in order to determine the research trends and the maturity of the different technologies. The choice and design of hydrogen storage systems regarding fuel cell specifications has also been studied. (authors)

Self-healing in carbon nitride evidenced as material inflation and superlubric behavior.

Science.gov (United States)

Bakoglidis, Konstantinos D; Palisaitis, Justinas; Dos Santos, Renato Batista; Rivelino, Roberto; Persson, Per O Å; Gueorguiev, Gueorgui K; Hultman, Lars

2018-05-01

All known materials wear under extended mechanical contacting. Superlubricity may present solutions, but is an expressed mystery in C-based materials. We report negative wear of carbon nitride films; a wear-less condition with mechanically-induced material inflation at the nanoscale and friction coefficient approaching ultralow values (0.06). Superlubricity in carbon nitride is expressed as C-N bond breaking for reduced coupling between graphitic-like sheets and eventual N 2 desorption. The transforming surface layer acts as a solid lubricant, while the film bulk retains its high elasticity. The present findings offer new means for materials design at the atomic level, and for property optimization in wear-critical applications like magnetic reading devices or nanomachines.

Thermal conduction mechanisms in isotope-disordered boron nitride and carbon nanotubes

Science.gov (United States)

Savic, Ivana; Mingo, Natalio; Stewart, Derek

2009-03-01

We present first principles studies which determine dominant effects limiting the heat conduction in isotope-disordered boron nitride and carbon nanotubes [1]. Using an ab initio atomistic Green's function approach, we demonstrate that localization cannot be observed in the thermal conductivity measurements [1], and that diffusive scattering is the dominant mechanism which reduces the thermal conductivity [2]. We also give concrete predictions of the magnitude of the isotope effect on the thermal conductivities of carbon and boron nitride single-walled nanotubes [2]. We furthermore show that intershell scattering is not the main limiting mechanism for the heat flow through multi-walled boron nitride nanotubes [1], and that heat conduction restricted to a few shells leads to the low thermal conductivities experimentally measured [1]. We consequently successfully compare the results of our calculations [3] with the experimental measurements [1]. [1] C. W. Chang, A. M. Fennimore, A. Afanasiev, D. Okawa, T. Ikuno, H. Garcia, D. Li, A. Majumdar, A. Zettl, Phys. Rev. Lett. 2006, 97, 085901. [2] I. Savic, N. Mingo, D. A. Stewart, Phys. Rev. Lett. 2008, 101, 165502. [3] I. Savic, D. A. Stewart, N. Mingo, to be published.

Structural investigation of two carbon nitride solids produced by cathodic arc deposition and nitrogen implantation

Energy Technology Data Exchange (ETDEWEB)

Merchant, A R; McCulloch, D; McKenzie, D R; Yin, Y; Gerstner, E G [New South Wales Univ., Kensington, NSW (Australia)

1997-12-31

Carbon nitride materials have been the focus of research efforts worldwide. Most materials studied have been amorphous, with only a few groups claiming to have found a crystalline material. In this paper, carbon nitride materials prepared by two different techniques are analysed, and found to be remarkably similar in bonding and structure. The materials appear to have a primarily sp{sup 2} bonded carbon structure with a lower bond length than found in an amorphous carbon. This is explained by nitrogen substituting into `rings` to a saturation level of about one nitrogen per three carbon atoms. No evidence was found for a crystalline structure of formula C{sub 3}N{sub 4}, or any amorphous derivative of it. 16 refs., 1 tab., 5 figs.

Structural investigation of two carbon nitride solids produced by cathodic arc deposition and nitrogen implantation

Energy Technology Data Exchange (ETDEWEB)

Merchant, A.R.; McCulloch, D.; McKenzie, D.R.; Yin, Y.; Gerstner, E.G. [New South Wales Univ., Kensington, NSW (Australia)

1996-12-31

Carbon nitride materials have been the focus of research efforts worldwide. Most materials studied have been amorphous, with only a few groups claiming to have found a crystalline material. In this paper, carbon nitride materials prepared by two different techniques are analysed, and found to be remarkably similar in bonding and structure. The materials appear to have a primarily sp{sup 2} bonded carbon structure with a lower bond length than found in an amorphous carbon. This is explained by nitrogen substituting into `rings` to a saturation level of about one nitrogen per three carbon atoms. No evidence was found for a crystalline structure of formula C{sub 3}N{sub 4}, or any amorphous derivative of it. 16 refs., 1 tab., 5 figs.

Structural investigation of two carbon nitride solids produced by cathodic arc deposition and nitrogen implantation

International Nuclear Information System (INIS)

Merchant, A.R.; McCulloch, D.; McKenzie, D.R.; Yin, Y.; Gerstner, E.G.

1996-01-01

Carbon nitride materials have been the focus of research efforts worldwide. Most materials studied have been amorphous, with only a few groups claiming to have found a crystalline material. In this paper, carbon nitride materials prepared by two different techniques are analysed, and found to be remarkably similar in bonding and structure. The materials appear to have a primarily sp 2 bonded carbon structure with a lower bond length than found in an amorphous carbon. This is explained by nitrogen substituting into 'rings' to a saturation level of about one nitrogen per three carbon atoms. No evidence was found for a crystalline structure of formula C 3 N 4 , or any amorphous derivative of it. 16 refs., 1 tab., 5 figs

Hydrogen Sensors Using Nitride-Based Semiconductor Diodes: The Role of Metal/Semiconductor Interfaces

Directory of Open Access Journals (Sweden)

Yoshihiro Irokawa

2011-01-01

Full Text Available In this paper, I review my recent results in investigating hydrogen sensors using nitride-based semiconductor diodes, focusing on the interaction mechanism of hydrogen with the devices. Firstly, effects of interfacial modification in the devices on hydrogen detection sensitivity are discussed. Surface defects of GaN under Schottky electrodes do not play a critical role in hydrogen sensing characteristics. However, dielectric layers inserted in metal/semiconductor interfaces are found to cause dramatic changes in hydrogen sensing performance, implying that chemical selectivity to hydrogen could be realized. The capacitance-voltage (C-V characteristics reveal that the work function change in the Schottky metal is not responsible mechanism for hydrogen sensitivity. The interface between the metal and the semiconductor plays a critical role in the interaction of hydrogen with semiconductor devises. Secondly, low-frequency C-V characterization is employed to investigate the interaction mechanism of hydrogen with diodes. As a result, it is suggested that the formation of a metal/semiconductor interfacial polarization could be attributed to hydrogen-related dipoles. In addition, using low-frequency C-V characterization leads to clear detection of 100 ppm hydrogen even at room temperature where it is hard to detect hydrogen by using conventional current-voltage (I-V characterization, suggesting that low-frequency C-V method would be effective in detecting very low hydrogen concentrations.

Graphitic carbon nitride based nanocomposites: a review

Science.gov (United States)

Zhao, Zaiwang; Sun, Yanjuan; Dong, Fan

2014-11-01

Graphitic carbon nitride (g-C3N4), as an intriguing earth-abundant visible light photocatalyst, possesses a unique two-dimensional structure, excellent chemical stability and tunable electronic structure. Pure g-C3N4 suffers from rapid recombination of photo-generated electron-hole pairs resulting in low photocatalytic activity. Because of the unique electronic structure, the g-C3N4 could act as an eminent candidate for coupling with various functional materials to enhance the performance. According to the discrepancies in the photocatalytic mechanism and process, six primary systems of g-C3N4-based nanocomposites can be classified and summarized: namely, the g-C3N4 based metal-free heterojunction, the g-C3N4/single metal oxide (metal sulfide) heterojunction, g-C3N4/composite oxide, the g-C3N4/halide heterojunction, g-C3N4/noble metal heterostructures, and the g-C3N4 based complex system. Apart from the depiction of the fabrication methods, heterojunction structure and multifunctional application of the g-C3N4-based nanocomposites, we emphasize and elaborate on the underlying mechanisms in the photocatalytic activity enhancement of g-C3N4-based nanocomposites. The unique functions of the p-n junction (semiconductor/semiconductor heterostructures), the Schottky junction (metal/semiconductor heterostructures), the surface plasmon resonance (SPR) effect, photosensitization, superconductivity, etc. are utilized in the photocatalytic processes. Furthermore, the enhanced performance of g-C3N4-based nanocomposites has been widely employed in environmental and energetic applications such as photocatalytic degradation of pollutants, photocatalytic hydrogen generation, carbon dioxide reduction, disinfection, and supercapacitors. This critical review ends with a summary and some perspectives on the challenges and new directions in exploring g-C3N4-based advanced nanomaterials.

Synthesis of tantalum carbide and nitride nanoparticles using a reactive mesoporous template for electrochemical hydrogen evolution

KAUST Repository

Alhajri, Nawal Saad; Yoshida, Hiroshi; Anjum, Dalaver H.; Garcia Esparza, Angel T.; Kubota, Jun; Domen, Kazunari; Takanabe, Kazuhiro

2013-01-01

Tantalum carbide and nitride nanocrystals were prepared through the reaction of a tantalum precursor with mesoporous graphitic (mpg)-C 3N4. The effects of the reaction temperature, the ratio of the Ta precursor to the reactive template (mpg-C3N4), and the selection of the carrier gas (Ar, N2 and NH3) on the resultant crystal phases and structures were investigated. The produced samples were characterized using powder X-ray diffraction (XRD), CHN elemental analyses, thermogravimetric analyses (TGA), nitrogen sorption, a temperature-programmed reaction with mass spectroscopy (MS), X-ray photoelectron spectroscopy (XPS), and transmission electron microscopy (TEM). The results indicate that the different tantalum phases with cubic structure, TaN, Ta2CN, and TaC, can be formed under a flow of nitrogen when formed at different temperatures. The Ta3N5 phase with a Ta5+ oxidation state was solely obtained at 1023 K under a flow of ammonia, which gasified the C 3N4 template and was confirmed by detecting the decomposed gaseous products via MS. Significantly, the formation of TaC, Ta2CN, and TaN can be controlled by altering the weight ratio of the C 3N4 template relative to the Ta precursor at 1573 K under a flow of nitrogen. The high C3N4/Ta precursor ratio generally resulted in high carbide content rather than a nitride one, consistent with the role of mpg-C3N4 as a carbon source. Electrochemical measurements revealed that the synthesized nanomaterials were consistently able to produce hydrogen under acidic conditions (pH 1). The obtained Tafel slope indicates that the rate-determining step is the Volmer discharge step, which is consistent with adsorbed hydrogen being weakly bound to the surface during electrocatalysis. © 2013 The Royal Society of Chemistry.

Hydrogen storage properties of carbon nanomaterials and carbon containing metal hydrides

Energy Technology Data Exchange (ETDEWEB)

Maehlen, Jan Petter

2003-07-01

The topic of this thesis is structural investigations of carbon containing materials in respect to their hydrogen storage properties. This work was initially triggered by reports of extremely high hydrogen storage capacities of specific carbon nanostructures. It was decided to try to verify and understand the mechanisms in play in case of the existence of such high hydrogen densities in carbon. Two different routes towards the goal were employed; by studying selected hydrides with carbon as one of its constituents (mainly employing powder diffraction techniques in combination with hydrogen absorption and desorption measurements) and by carefully conducting hydrogen sorption experiments on what was believed to be the most ''promising'' carbon nanomaterial sample. In the latter case, a lot of effort was attributed to characterisations of different carbon nanomaterial containing samples with the aid of electron microscopy. Three different carbon-containing metal hydride systems, Y2C-H, YCoC-H and Y5SiC0.2-H, were examined. A relation between hydrogen occupation and the local arrangement of metal and carbon atoms surrounding the hydrogen sites was established. Several characteristic features of the compounds were noted in addition to solving the structure of the former unknown deuterideY5Si3C0.2D2.0 by the use of direct methods. Several carbon-nanomaterial containing samples were studied by means of transmission electron microscopy and powder diffraction, thus gaining knowledge concerning the structural aspects of nanomaterials. Based on these investigations, a specific sample containing a large amount of open-ended single-wall carbon nanotubes was chosen for subsequent hydrogen storage experiments. The latter experiments revealed moderate hydrogen storage capacities of the nanotubes not exceeding the values obtained for more conventional forms of carbon. These two different routes in investigating the hydrogen storage properties of carbon and carbon containing alloys

Hydrogen storage properties of carbon nanomaterials and carbon containing metal hydrides

Energy Technology Data Exchange (ETDEWEB)

Maehlen, Jan Petter

2003-07-01

The topic of this thesis is structural investigations of carbon containing materials in respect to their hydrogen storage properties. This work was initially triggered by reports of extremely high hydrogen storage capacities of specific carbon nanostructures. It was decided to try to verify and understand the mechanisms in play in case of the existence of such high hydrogen densities in carbon. Two different routes towards the goal were employed; by studying selected hydrides with carbon as one of its constituents (mainly employing powder diffraction techniques in combination with hydrogen absorption and desorption measurements) and by carefully conducting hydrogen sorption experiments on what was believed to be the most ''promising'' carbon nanomaterial sample. In the latter case, a lot of effort was attributed to characterisations of different carbon nanomaterial containing samples with the aid of electron microscopy. Three different carbon-containing metal hydride systems, Y2C-H, YCoC-H and Y5SiC0.2-H, were examined. A relation between hydrogen occupation and the local arrangement of metal and carbon atoms surrounding the hydrogen sites was established. Several characteristic features of the compounds were noted in addition to solving the structure of the former unknown deuterideY5Si3C0.2D2.0 by the use of direct methods. Several carbon-nanomaterial containing samples were studied by means of transmission electron microscopy and powder diffraction, thus gaining knowledge concerning the structural aspects of nanomaterials. Based on these investigations, a specific sample containing a large amount of open-ended single-wall carbon nanotubes was chosen for subsequent hydrogen storage experiments. The latter experiments revealed moderate hydrogen storage capacities of the nanotubes not exceeding the values obtained for more conventional forms of carbon. These two different routes in investigating the hydrogen storage properties of carbon and

Room temperature synthesis of heptazine-based microporous polymer networks as photocatalysts for hydrogen evolution.

Science.gov (United States)

Kailasam, Kamalakannan; Schmidt, Johannes; Bildirir, Hakan; Zhang, Guigang; Blechert, Siegfried; Wang, Xinchen; Thomas, Arne

2013-06-25

Two emerging material classes are combined in this work, namely polymeric carbon nitrides and microporous polymer networks. The former, polymeric carbon nitrides, are composed of amine-bridged heptazine moieties and showed interesting performance as a metal-free photocatalyst. These materials have, however, to be prepared at high temperatures, making control of their chemical structure difficult. The latter, microporous polymer networks have received increasing interest due to their high surface area, giving rise to interesting applications in gas storage or catalysis. Here, the central building block of carbon nitrides, a functionalized heptazine as monomer, and tecton are used to create microporous polymer networks. The resulting heptazine-based microporous polymers show high porosity, while their chemical structure resembles the ones of carbon nitrides. The polymers show activity for the photocatalytic production of hydrogen from water, even under visible light illumination. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Influence of hydrogen effusion from hydrogenated silicon nitride layers on the regeneration of boron-oxygen related defects in crystalline silicon

International Nuclear Information System (INIS)

Wilking, S.; Ebert, S.; Herguth, A.; Hahn, G.

2013-01-01

The degradation effect boron doped and oxygen-rich crystalline silicon materials suffer from under illumination can be neutralized in hydrogenated silicon by the application of a regeneration process consisting of a combination of slightly elevated temperature and carrier injection. In this paper, the influence of variations in short high temperature steps on the kinetics of the regeneration process is investigated. It is found that hotter and longer firing steps allowing an effective hydrogenation from a hydrogen-rich silicon nitride passivation layer result in an acceleration of the regeneration process. Additionally, a fast cool down from high temperature to around 550 °C seems to be crucial for a fast regeneration process. It is suggested that high cooling rates suppress hydrogen effusion from the silicon bulk in a temperature range where the hydrogenated passivation layer cannot release hydrogen in considerable amounts. Thus, the hydrogen content of the silicon bulk after the complete high temperature step can be increased resulting in a faster regeneration process. Hence, the data presented here back up the theory that the regeneration process might be a hydrogen passivation of boron-oxygen related defects

Facile synthesis of phosphorus doped graphitic carbon nitride polymers with enhanced visible-light photocatalytic activity

International Nuclear Information System (INIS)

Zhang, Ligang; Chen, Xiufang; Guan, Jing; Jiang, Yijun; Hou, Tonggang; Mu, Xindong

2013-01-01

Graphical abstract: - Highlights: • P-doped g-C 3 N 4 has been prepared by a one-pot green synthetic approach. • The incorporation of P resulted in favorable textural and electronic properties. • Doping with P enhanced the visible-light photocatalytic activity of g-C 3 N 4 . • A postannealing treatment further enhanced the activity of P-doped g-C 3 N 4 . • Photogenerated holes were the main species responsible for the activity. - Abstract: Phosphorus-doped carbon nitride materials were prepared by a one-pot green synthetic approach using dicyandiamide monomer and a phosphorus containing ionic liquid as precursors. The as-prepared materials were subjected to several characterizations and investigated as metal-free photocatalysts for the degradation of organic pollutants (dyes like Rhodamine B, Methyl orange) in aqueous solution under visible light. Results revealed that phosphorus-doped carbon nitride have a higher photocatalytic activity for decomposing Rhodamine B and Methyl orange in aqueous solution than undoped g-C 3 N 4 , which was attributed to the favorable textural, optical and electronic properties caused by doping with phosphorus heteroatoms into carbon nitride host. A facile postannealing treatment further improved the activity of the photocatalytic system, due to the higher surface area and smaller structural size in the postcalcined catalysts. The phosphorus-doped carbon nitride showed high visible-light photocatalytic activity, making them promising materials for a wide range of potential applications in photochemistry

On new allotropes and nanostructures of carbon nitrides

OpenAIRE

Bojdys, Michael Janus

2010-01-01

In the first section of the thesis graphitic carbon nitride was for the first time synthesised using the high-temperature condensation of dicyandiamide (DCDA) – a simple molecular precursor – in a eutectic salt melt of lithium chloride and potassium chloride. The extent of condensation, namely next to complete conversion of all reactive end groups, was verified by elemental microanalysis and vibrational spectroscopy. TEM- and SEM-measurements gave detailed insight into the well-defined morpho...

Nanoengineered Carbon Scaffolds for Hydrogen Storage

Energy Technology Data Exchange (ETDEWEB)

Leonard, A. D.; Hudson, J. L.; Fan, H.; Booker, R.; Simpson, L. J.; O' Neill, K. J.; Parilla, P. A.; Heben, M. J.; Pasquali, M.; Kittrell, C.; Tour, J. M.

2009-01-01

Single-walled carbon nanotube (SWCNT) fibers were engineered to become a scaffold for the storage of hydrogen. Carbon nanotube fibers were swollen in oleum (fuming sulfuric acid), and organic spacer groups were covalently linked between the nanotubes using diazonium functionalization chemistry to provide 3-dimensional (3-D) frameworks for the adsorption of hydrogen molecules. These 3-D nanoengineered fibers physisorb twice as much hydrogen per unit surface area as do typical macroporous carbon materials. These fiber-based systems can have high density, and combined with the outstanding thermal conductivity of carbon nanotubes, this points a way toward solving the volumetric and heat-transfer constraints that limit some other hydrogen-storage supports.

Synthesis of hydrogen-carbon clathrate material and hydrogen evolution therefrom at moderate temperatures and pressures

Science.gov (United States)

Lueking, Angela [State College, PA; Narayanan, Deepa [Redmond, WA

2011-03-08

A process for making a hydrogenated carbon material is provided which includes forming a mixture of a carbon source, particularly a carbonaceous material, and a hydrogen source. The mixture is reacted under reaction conditions such that hydrogen is generated and/or released from the hydrogen source, an amorphous diamond-like carbon is formed, and at least a portion of the generated and/or released hydrogen associates with the amorphous diamond-like carbon, thereby forming a hydrogenated carbon material. A hydrogenated carbon material including a hydrogen carbon clathrate is characterized by evolution of molecular hydrogen at room temperature at atmospheric pressure in particular embodiments of methods and compositions according to the present invention.

Hydrogen storage in carbon nanostruc

NARCIS (Netherlands)

Hirscher, M.; Becher, M.; Haluska, M.; Quintel, A.; Skakalova, V.; Choi, M.; Dettlaff-Weglikowska, U.; Roth, S.; Stepanek, I.; Bernier, P.; Leonhardt, A.; Fink, J.

2002-01-01

The paper gives a critical review of the literature on hydrogen storage in carbon nanostructures. Furthermore, the hydrogen storage of graphite, graphite nanofibers (GNFs), and single-walled carbon nanotubes (SWNTs) was measured by thermal desorption spectroscopy (TDS). The samples were ball milled

Conformational analysis and electronic structure of chiral carbon and carbon nitride nanotubes

Directory of Open Access Journals (Sweden)

Cristiano Geraldo de Faria

2011-12-01

Full Text Available Geometry and electronic structure of chiral carbon and carbon nitride (CNx nanotubes were investigated through quantum chemical methods. Finite nanotubes with diameters ranging from 5 to 10 Å and containing up to 500 atoms were considered. CNx structures were built through random substitution of carbon atoms by nitrogen. The molecules were fully optimized by semi-empirical quantum chemical method (PM3. Our results show that the energy associated with nitrogen incorporation depends strongly upon the tube helicity and diameter. The doping of nanotubes with nitrogen contributes to reduce the stress caused by the small diameter of the studied systems. Density of States (DOS results for pure carbon and CNx nanostructures, obtained through DFT and Hartree-Fock calculations, were analyzed. The introduction of nitrogen in the tube produce states in the gap region which characterizes the metallic behavior, as expected for these systems after N-doping.

Preparation of mesoporous carbon nitride structure by the dealloying of Ni/a-CN nanocomposite films

Science.gov (United States)

Zhou, Han; Shen, Yongqing; Huang, Jie; Liao, Bin; Wu, Xianying; Zhang, Xu

2018-05-01

The preparation of mesoporous carbon nitride (p-CN) structure by the selective dealloying process of Ni/a-CN nanocomposite films is investigated. The composition and structure of the Ni/a-CN nanocomposite films and porous carbon nitride (p-CN) films are determined by scan electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and Raman spectroscopy. Phase separated structure including nickel carbide phase and the surrounding amorphous carbon nitride (a-CN) matrix are detected for the as-deposited films. Though the bulk diffusion is introduced in the film during the annealing process, the grain sizes for the post-annealed films are around 10 nm and change little comparing with the ones of the as-deposited films, which is associated with the thermostability of the CN surrounding in the film. The p-CN skeleton with its pore size around 12.5 nm is formed by etching the post-annealed films, indicative of the stability of the phase separated structure during the annealing process.

Modification of g-C{sub 3}N{sub 4} nanosheets by carbon quantum dots for highly efficient photocatalytic generation of hydrogen

Energy Technology Data Exchange (ETDEWEB)

Li, Kui; Su, Feng-Yun; Zhang, Wei-De, E-mail: zhangwd@scut.edu.cn

2016-07-01

Graphical abstract: Carbon quantum dots-modified graphitic carbon nitride nanosheets (CNNS/CQDs) catalysts with high and stable activity for photocatalytic generation of hydrogen through water splitting were successfully constructed. - Highlights: • Composite photocatalysts based on g-C{sub 3}N{sub 4} nanosheets and CQDs were prepared. • High visible light photocatalytic activity for H{sub 2} evolution. • Effective separation and transfer of charge carriers. - Abstract: Carbon quantum dots (CQDs) were deposited onto graphite-like carbon nitride nanosheets (CNNS) to form CNNS/CQDs composites. The prepared CNNS/CQDs composites exhibit much higher photocatalytic activity under visible light irradiation than pure CNNS do. The CNNS/CQDs-7 sample displays the highest photocatalytic performance, with H{sub 2} production rate of 116.1 μmol h{sup −1}, which is three times of that over pure CNNS (37.8 μmol h{sup −1}). Photoluminescence spectroscopy and photoelectrochemical (PEC) analysis reveal that the CQDs are favorable for trapping electrons and promoting the separation of photogenerated electron-hole pairs in CNNS. A possible photocatalytic mechanism of the enhanced photocatalytic performance for H{sub 2} generation over CNNS/CQDs will be proposed in this paper.

Dual mechanical behaviour of hydrogen in stressed silicon nitride thin films

International Nuclear Information System (INIS)

Volpi, F.; Braccini, M.; Pasturel, A.; Devos, A.; Raymond, G.; Morin, P.

2014-01-01

In the present article, we report a study on the mechanical behaviour displayed by hydrogen atoms and pores in silicon nitride (SiN) films. A simple three-phase model is proposed to relate the physical properties (stiffness, film stress, mass density, etc.) of hydrogenated nanoporous SiN thin films to the volume fractions of hydrogen and pores. This model is then applied to experimental data extracted from films deposited by plasma enhanced chemical vapour deposition, where hydrogen content, stress, and mass densities range widely from 11% to 30%, −2.8 to 1.5 GPa, and 2.0 to 2.8 g/cm 3 , respectively. Starting from the conventional plotting of film's Young's modulus against film porosity, we first propose to correct the conventional calculation of porosity volume fraction with the hydrogen content, thus taking into account both hydrogen mass and concentration. The weight of this hydrogen-correction is found to evolve linearly with hydrogen concentration in tensile films (in accordance with a simple “mass correction” of the film density calculation), but a clear discontinuity is observed toward compressive stresses. Then, the effective volume occupied by hydrogen atoms is calculated taking account of the bond type (N-H or Si-H bonds), thus allowing a precise extraction of the hydrogen volume fraction. These calculations applied to tensile films show that both volume fractions of hydrogen and porosity are similar in magnitude and randomly distributed against Young's modulus. However, the expected linear dependence of the Young's modulus is clearly observed when both volume fractions are added. Finally, we show that the stiffer behaviour of compressive films cannot be only explained on the basis of this (hydrogen + porosity) volume fraction. Indeed this stiffness difference relies on a dual mechanical behaviour displayed by hydrogen atoms against the film stress state: while they participate to the stiffness in compressive films, hydrogen atoms mainly

Hydrogen adsorption in carbon nanostructures compared

International Nuclear Information System (INIS)

Schimmel, H.G.; Nijkamp, G.; Kearley, G.J.; Rivera, A.; Jong, K.P. de; Mulder, F.M.

2004-01-01

Recent reports continue to suggest high hydrogen storage capacities for some carbon nanostructures due to a stronger interaction between hydrogen and carbon. Here the interaction of hydrogen with activated charcoal, carbon nanofibers, single walled carbon nanotubes (SWNT), and electron beam 'opened' SWNT are compared and shown to be similar. The storage capacity below 77 K of these materials correlates with the surface area of the material with the activated charcoal having the largest. SWNT and 'opened' SWNT have a relatively low accessible surface area due to bundling of the tubes. Pressure-temperature curves give the interaction potential, which was found to be ∼580 K or 50 meV in all samples, leading to significant adsorption below ∼50 K. Using the inelastic neutron scattering signal associated with rotation of the hydrogen molecule as a sensitive probe for the surroundings of the molecule, no difference was found between the hydrogen molecules adsorbed in the investigated materials. These combined spectroscopic and macroscopic results show that SWNT, nanofibers and activated carbons store molecular hydrogen due to their graphitic nature and not because they possess special morphologies. Results from a density functional theory computer calculation suggest molecular hydrogen bonding to an aromatic C-C bond of graphite, irrespective of the surface morphology farther away

Graphitic Carbon Nitride as a Catalyst Support in Fuel Cells and Electrolyzers

International Nuclear Information System (INIS)

Mansor, Noramalina; Miller, Thomas S.; Dedigama, Ishanka; Jorge, Ana Belen; Jia, Jingjing; Brázdová, Veronika; Mattevi, Cecilia; Gibbs, Chris; Hodgson, David; Shearing, Paul R.; Howard, Christopher A.; Corà, Furio; Shaffer, Milo; Brett, Daniel J.L.

2016-01-01

Highlights: • Graphitic carbon nitride (gCN) describes many materials with different structures. • gCNs can exhibit excellent mechanical, chemical and thermal resistance. • A major obstacle for pure gCN catalyst supports is limited electronic conductivity. • Composite/Hybrid gCN structures show excellent performance as catalyst supports. • gCNs have great potential for use in fuel calls and water electrolyzers. - Abstract: Electrochemical power sources, such as polymer electrolyte membrane fuel cells (PEMFCs), require the use of precious metal catalysts which are deposited as nanoparticles onto supports in order to minimize their mass loading and therefore cost. State-of-the-art/commercial supports are based on forms of carbon black. However, carbon supports present disadvantages including corrosion in the operating fuel cell environment and loss of catalyst activity. Here we review recent work examining the potential of different varieties of graphitic carbon nitride (gCN) as catalyst supports, highlighting their likely benefits, as well as the challenges associated with their implementation. The performance of gCN and hybrid gCN-carbon materials as PEMFC electrodes is discussed, as well as their potential for use in alkaline systems and water electrolyzers. We illustrate the discussion with examples taken from our own recent studies.

Optically induced paramagnetism in amorphous hydrogenated silicon nitride thin films

International Nuclear Information System (INIS)

Warren, W.L.; Kanicki, J.; Buchwald, W.R.; Rong, F.C.; Harmatz, M.

1992-01-01

This paper reports that the creation mechanisms of Si and N dangling bond defect centers in amorphous hydrogenated silicon nitride thin films by ultra-violet (UV) illumination are investigated. The creation efficiency and density of Si centers in the N-rich films are independent of illumination temperature, strongly suggesting that the creation mechanism of the spins in electronic in nature, i.e., a charge transfer mechanism. However, our results suggest that the creation of the Si dangling bond in the Si-rich films are different. Last, we find that the creation of the N dangling-bond in N-rich films can be fit to a stretched exponential time dependence, which is characteristic of dispersive charge transport

Tuning the optical response in carbon doped boron nitride nanodots

KAUST Repository

Mokkath, Junais Habeeb

2014-09-04

Time dependent density functional theory and the hybrid B3LYP functional are used to investigate the structural and optical properties of pristine and carbon doped hexagonal boron nitride nanodots. In agreement with recent experiments, the embedded carbon atoms are found to favor nucleation. Our results demonstrate that carbon clusters of different shapes promote an early onset of absorption by generating in-gap states. The nanodots are interesting for opto-electronics due to their tunable optical response in a wide energy window. We identify cluster sizes and shapes with optimal conversion efficiency for solar radiation and a wide absorption range form infrared to ultraviolet. This journal is

Optical and passivating properties of hydrogenated amorphous silicon nitride deposited by plasma enhanced chemical vapour deposition for application on silicon solar cells

Energy Technology Data Exchange (ETDEWEB)

Wight, Daniel Nilsen

2008-07-01

quality, etch rate. The response of these parameters to high temperature anneals were correlated with structural changes in the silicon nitride films as measured by using the hydrogen bond concentration. Plasma enhanced chemical vapour deposition allows continuous variation in nearly all deposition parameters. The parameters studied in this work are the gas flow ratios and excitation power. In both direct and remote deposition systems, the increase in deposition power density lead to higher activation of ammonia which in turn lead to augmented incorporation of nitrogen into the films and thus lower refractive index. For a direct system, the same parameter change lead to a drastic fall in passivation quality of Czochralski silicon attributed to an increase in ion bombardment as well as the general observation that as deposited passivation tends to increase with refractive index. Silicon nitride films with variations in refractive index were also made by varying the silane-to-ammonia gas flow ratio. This simple parameter adjustment makes plasma enhanced chemical vapour deposited silicon nitride applicable to double layer anti-reflective coatings simulated in this work. The films were found to have an etch rate in 5% hydrofluoric acid that decreased with increasing refractive index. This behaviour is attributed to the decreasing concentration of nitrogen-to-hydrogen bonds in the films. Such bonds at the surface of silicon nitride have been suggested to be involved in the main reaction mechanism when etching silicon nitride in hydrofluoric acid. Annealing the films lead to a drastic fall in etch rates and was linked to the release of hydrogen from the nitrogen-hydrogen bonds. (author). 115 refs., 35 figs., 6 tabs

Synthesis and photocatalytic properties of graphitic carbon nitride nanofibers using porous anodic alumina templates

Science.gov (United States)

Suchitra, S. M.; Udayashankar, N. K.

2017-12-01

In the present study, we describe an effective method for the synthesis of Graphitic carbon nitride (GCN) nanostructures using porous anodic alumina (AAO) membrane as template by simple thermal condensation of cyanamide. Synthesized nanostructure was fully analysed by various techniques to detect its crystalline nature, morphology, luminescent properties followed by the evaluation of its photocatalytic activity in the degradation of Methylene blue dye. Structural analysis of synthesized GCNNF was systematically carried out using x-ray powder diffraction (XRD) and scanning electron microscope (SEM), and. The results confirmed the growth of GCN inside the nanochannels of anodic alumina templates. Luminescent properties of GCNNF were studied using photoluminescence (PL) spectroscopy. PL analysis showed the presence of a strong emission peak in the wavelength range of 350-600 nm in blue region. GCNNF displays higher photocatalytic performance in the photodegradation of methylene blue compare to the bulk GCN. Highlights 1. In the present paper, we report the synthesis of graphitic carbon nitride nanofibers (GCNNF) using porous anodic aluminium oxide membranes as templates through thermal condensation of cyanamide at 500 °C. 2. The synthesis of Graphitic carbon nitride nanofibers using porous andic alumina template is the efficient approach for increasing crystallinity and surface area. 3. The high surface area of graphitic carbon nitride nanofibers has a good impact on novel optical and photocatalytic properties of the bulkGCN. 4. AAO templating of GCN is one of the versatile method to produce tailorable GCN nanostructures with higher surface area and less number of structural defects. 5. Towards photocatalytic degradation of dyes, the tuning of physical properties is very essential thing hence we are succeeded in achieving better catalytic performance of GCN nanostructures by making use of AAO templates.

Carbon: Hydrogen carrier or disappearing skeleton?

International Nuclear Information System (INIS)

De Jong, K.P.; Van Wechem, H.M.H.

1994-01-01

The use of liquid hydrocarbons as energy carriers implies the use of carbon as a carrier for hydrogen to facilitate hydrogen transport and storage. The current trend for liquid energy carriers used in the transport sector is to maximize the load of hydrogen on the carbon carrier. The recently developed Shell Middle Distillate Hydrogenation process for the manufacture of high quality diesel from aromatic refinery streams fits this picture. In the future, the hydrogen required to raise the product H/C ratio will be increasingly produced via gasification of large amounts of heavy residues. In the light of the strong preference towards using liquid fuels in the transport sector, the Shell Middle Distillate Synthesis process to convert natural gas into diesel of very high quality is discussed. Finally, a few comments on the use of hydrogen without a carbon carrier are made. Long lead times and the likelihood of producing the 'first' hydrogen from fossil fuel are highlighted. 13 figs., 6 tabs., 5 refs

Hydrogenated amorphous silicon nitride photonic crystals for improved-performance surface electromagnetic wave biosensors.

Science.gov (United States)

Sinibaldi, Alberto; Descrovi, Emiliano; Giorgis, Fabrizio; Dominici, Lorenzo; Ballarini, Mirko; Mandracci, Pietro; Danz, Norbert; Michelotti, Francesco

2012-10-01

We exploit the properties of surface electromagnetic waves propagating at the surface of finite one dimensional photonic crystals to improve the performance of optical biosensors with respect to the standard surface plasmon resonance approach. We demonstrate that the hydrogenated amorphous silicon nitride technology is a versatile platform for fabricating one dimensional photonic crystals with any desirable design and operating in a wide wavelength range, from the visible to the near infrared. We prepared sensors based on photonic crystals sustaining either guided modes or surface electromagnetic waves, also known as Bloch surface waves. We carried out for the first time a direct experimental comparison of their sensitivity and figure of merit with surface plasmon polaritons on metal layers, by making use of a commercial surface plasmon resonance instrument that was slightly adapted for the experiments. Our measurements demonstrate that the Bloch surface waves on silicon nitride photonic crystals outperform surface plasmon polaritons by a factor 1.3 in terms of figure of merit.

The structure and function of supported molybdenum nitride and molybdenum carbide hydrotreating catalysts

Science.gov (United States)

Dolce, Gregory Martin

1997-11-01

A series of gamma-Alsb2Osb3 supported molybdenum nitrides and carbides were prepared by the temperature programmed reaction of supported molybdates with ammonia and methane/hydrogen mixtures, respectively. In the first part of this research, the effects of synthesis heating rates and molybdenum loading on the catalytic properties of the materials were examined. A significant amount of excess carbon was deposited on the surface of the carbides during synthesis. The materials consisted of small particles which were very highly dispersed. Oxygen chemisorption indicated that the nitride particles may have been two-dimensional. The dispersion of the carbides, however, appeared to decrease as the loading increased. The catalysts were evaluated for hydrodenitrogenation (HDN), hydrodesulfurization (HDS), and hydrodeoxygenation (HDO). The molybdenum loading had the largest effect on the activity of the materials. For the nitrides, the HDN and HDS activities were inverse functions of the loading. This suggested that the most active HDN and HDS sites were located at the perimeter of the two-dimensional particles. The HDN and HDS activities of the carbides followed the same trend as the oxygen uptake. This result suggested that oxygen titrated the active sites on the supported carbides. Selected catalysts were evaluated for methylcarbazole HDN, dibenzothiophene HDS, and dibenzofuran HDO. The activity and selectivity of the nitrides and carbides were competitive with a presulfided commercial catalyst. In the second part of this work, a series of supported nitrides and carbides were prepared using a wider range of loadings (5-30 wt% Mo). Thermogravimetric analysis was used to determine the temperature at which excess carbon was deposited on the carbides. By modifying the synthesis parameters, the deposition of excess carbon was effectively inhibited. The dispersions of the supported nitrides and carbides were constant and suggested that the materials consisted of two

Carbon compound used in hydrogen storage

International Nuclear Information System (INIS)

Iturbe G, J.L.; Lopez M, B.E.

2004-01-01

In the present work it is studied the activated carbon of mineral origin for the sorption of hydrogen. The carbon decreased of particle size by means of the one alloyed mechanical. The time of mill was of 10 hours. The characterization one carries out by scanning electron microscopy and X-ray diffraction. The hydrogen sipped in the carbon material it was determined using the Thermal gravimetric method (TGA). The conditions of hydrogenation went at 10 atm of pressure and ambient temperature during 18 hours. They were also carried out absorption/desorption cycles of hydrogen in the same one system of thermal gravimetric analysis. The results showed percentages of sorption of 2% approximately in the cycles carried out in the system TGA and of 4.5% in weight of hydrogen at pressure of 10 atmospheres and ambient temperature during 18 hours. (Author)

Graphitic carbon nitride/graphene oxide/reduced graphene oxide nanocomposites for photoluminescence and photocatalysis

Energy Technology Data Exchange (ETDEWEB)

Aleksandrzak, Malgorzata, E-mail: malgorzata.aleksandrzak@o2.pl; Kukulka, Wojciech; Mijowska, Ewa

2017-03-15

Highlights: • Graphitic carbon nitride modified with graphene nanostructures. • Influence of graphene nanostructures size in photocatalytic properties of g-C{sub 3}N{sub 4}. • Improved photocatalysis resulted from up-converted photoluminescence. - Abstract: The study presents a modification of graphitic carbon nitride (g-C{sub 3}N{sub 4}) with graphene oxide (GO) and reduced graphene oxide (rGO) and investigation of photoluminescent and photocatalytic properties. The influence of GO and rGO lateral sizes used for the modification was investigated. The nanomaterials were characterized with atomic force microscopy (AFM), transmission electron microscopy (TEM), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), diffuse reflectance UV–vis spectroscopy (DR-UV-vis) and photoluminescence spectroscopy (PL). PL revealed that pristine graphitic carbon nitride and its nanocomposites with GO and rGO emitted up-converted photoluminescence (UCPL) which could contribute to the improvement of photocatalytic activity of the materials. The photoactivity was evaluated in a process of phenol decomposition under visible light. A hybrid composed of rGO nanoparticles (rGONPs, 4–135 nm) exhibited the highest photoactivity compared to rGO with size of 150 nm–7.2 μm and graphene oxide with the corresponding sizes. The possible reason of the superior photocatalytic activity is the most enhanced UCPL of rGONPs, contributing to the emission of light with higher energy than the incident light, resulting in improved photogeneration of electron-hole pairs.

Nanocomposites based on hierarchical porous carbon fiber@vanadium nitride nanoparticles as supercapacitor electrodes.

Science.gov (United States)

Ran, Fen; Wu, Yage; Jiang, Minghuan; Tan, Yongtao; Liu, Ying; Kong, Lingbin; Kang, Long; Chen, Shaowei

2018-03-28

In this study, a hybrid electrode material for supercapacitors based on hierarchical porous carbon fiber@vanadium nitride nanoparticles is fabricated using the method of phase-separation mediated by the PAA-b-PAN-b-PAA tri-block copolymer. In the phase-separation procedure, the ionic block copolymer self-assembled on the surface of carbon nanofibers, and is used to adsorb NH 4 VO 3 . Thermal treatment at controlled temperatures under an NH 3  : N 2 atmosphere led to the formation of vanadium nitride nanoparticles that are distributed uniformly on the nanofiber surface. By changing the PAN to PAA-b-PAN-b-PAA ratio in the casting solution, a maximum specific capacitance of 240.5 F g -1 is achieved at the current density of 0.5 A g -1 with good rate capability at a capacitance retention of 72.1% at 5.0 A g -1 in an aqueous electrolyte of 6 mol L -1 KOH within the potential range of -1.10 to 0 V (rN/A = 1.5/1.0). Moreover, an asymmetric supercapacitor is assembled by using the hierarchical porous carbon fiber@vanadium nitride as the negative electrode and Ni(OH) 2 as the positive electrode. Remarkably, at the power density of 400 W kg -1 , the supercapacitor device delivers a better energy density of 39.3 W h kg -1 . It also shows excellent electrochemical stability, and thus might be used as a promising energy-storage device.

Graphitic Carbon-Based Nanostructures for Energy and Environmental Applications

Science.gov (United States)

Chan, Ka Long Donald

This thesis focuses on the synthesis and characterization of graphitic carbonbased photocatalytic nanostructures for energy and environmental applications. The preparation of carbon- and oxygen-rich graphitic carbon nitride with enhanced photocatalytic hydrogen evolution property was investigated. Composite materials based on graphene quantum dots were also prepared. These composites were used for photocatalytic degradation of organic pollutants and photoelectrocatalytic disinfection. The first part of this thesis describes a facile method for the preparation of carbon- and oxygen-rich graphitic carbon nitride by thermal condensation. Incorporation of carbon and oxygen enhanced the photoresponse of carbon nitride in the visible-light region. After exfoliation, the product was c.a. 45 times more active than bulk graphitic carbon nitride in photocatalytic hydrogen evolution under visible-light irradiation. In the second part, a simple approach to enhance the photocatalytic activity of red phosphorus was developed. Mechanical ball milling was applied to reduce the size of red phosphorus and to deposit graphene quantum dots (GQDs) onto red phosphorus. The product exhibited high visible-light-driven photocatalytic performance in the photodegradation of Rhodamine B. The incorporation of GQDs in titanium dioxide could also extend the absorption spectrum of TiO2 into the visible-light range. The third part of this thesis reports on the fabrication of a visible-light-driven composite photocatalyst of TiO2 nanotube arrays (TNAs) and GQDs. Carboxyl-containing GQDs were covalently coupled to amine-modified TNAs. The product exhibited enhanced photocurrent and high photoelectrocatalytic performance in the inactivation of E. coli under visible-light irradiation. The role of various reactive species in the photoelectrocatalytic process was investigated.

Hydrogen retention in carbon-tungsten co-deposition layer formed by hydrogen RF plasma

International Nuclear Information System (INIS)

Katayama, K.; Kawasaki, T.; Manabe, Y.; Nagase, H.; Takeishi, T.; Nishikawa, M.

2006-01-01

Carbon-tungsten co-deposition layers (C-W layers) were formed by sputtering method using hydrogen or deuterium RF plasma. The deposition rate of the C-W layer by deuterium plasma was faster than that by hydrogen plasma, where the increase of deposition rate of tungsten was larger than that of carbon. This indicates that the isotope effect on sputtering-depositing process for tungsten is larger than that for carbon. The release curve of hydrogen from the C-W layer showed two peaks at 400 deg. C and 700 deg. C. Comparing the hydrogen release from the carbon deposition layer and the tungsten deposition layer, it is considered that the increase of the release rate at 400 deg. C is affected by tungsten and that at 700 deg. C is affected by carbon. The obtained hydrogen retention in the C-W layers which have over 60 at.% of carbon was in the range between 0.45 and 0.16 as H/(C + W)

Hydrogen storage property of nanoporous carbon aerogels

International Nuclear Information System (INIS)

Shen Jun; Liu Nianping; Ouyang Ling; Zhou Bin; Wu Guangming; Ni Xingyuan; Zhang Zhihua

2011-01-01

Carbon aerogels were prepared from resorcinol and formaldehyde via sol-gel process, high temperature carbonization and atmospheric pressure drying technology with solvent replacement. By changing the resorcinol-sodium carbonate molar ratio and the mass fraction of the reactants,resorcinol and formaldehyde, the pore structure of carbon aerogels can be controlled and the palladium-doped carbon aerogels were prepared.By transmission electron microscopy (TEM), X-ray diffraction (XRD) spectra, it is confirmed that the Pd exists in the skeleton structure of carbon aerogels as a form of nano simple substance pellet. The specific surface area is successfully raised by 2 times, and palladium-doped carbon aerogels with a specific surface area of 1 273 m 2 /g have been obtained by carrying out the activation process as the post-processing to the doped carbon aerogels. The hydrogen adsorption results show that the saturated hydrogen storage mass fraction of the carbon aerogels with the specific surface area of 3 212 m 2 /g is 3% in the condition of 92 K, 3.5 MPa, and 0.84% in the condition of 303 K, 3.2 MPa. In addition, the hydrogen adsorption test of palladium-doped carbon aerogels at room temperature (303 K) shows that the total hydrogen storage capacity of doped carbon aerogels is declined due to the relative small specific surface, but the hydrogen storage of unit specific surface area is enhanced. (authors)

Molecular carbon nitride ion beams for enhanced corrosion resistance of stainless steel

Science.gov (United States)

Markwitz, A.; Kennedy, J.

2017-10-01

A novel approach is presented for molecular carbon nitride beams to coat stainless surfaces steel using conventional safe feeder gases and electrically conductive sputter targets for surface engineering with ion implantation technology. GNS Science's Penning type ion sources take advantage of the breaking up of ion species in the plasma to assemble novel combinations of ion species. To test this phenomenon for carbon nitride, mixtures of gases and sputter targets were used to probe for CN+ ions for simultaneous implantation into stainless steel. Results from mass analysed ion beams show that CN+ and a variety of other ion species such as CNH+ can be produced successfully. Preliminary measurements show that the corrosion resistance of stainless steel surfaces increased sharply when implanting CN+ at 30 keV compared to reference samples, which is interesting from an application point of view in which improved corrosion resistance, surface engineering and short processing time of stainless steel is required. The results are also interesting for novel research in carbon-based mesoporous materials for energy storage applications and as electrode materials for electrochemical capacitors, because of their high surface area, electrical conductivity, chemical stability and low cost.

Carbon Dioxide-Free Hydrogen Production with Integrated Hydrogen Separation and Storage.

Science.gov (United States)

Dürr, Stefan; Müller, Michael; Jorschick, Holger; Helmin, Marta; Bösmann, Andreas; Palkovits, Regina; Wasserscheid, Peter

2017-01-10

An integration of CO 2 -free hydrogen generation through methane decomposition coupled with hydrogen/methane separation and chemical hydrogen storage through liquid organic hydrogen carrier (LOHC) systems is demonstrated. A potential, very interesting application is the upgrading of stranded gas, for example, gas from a remote gas field or associated gas from off-shore oil drilling. Stranded gas can be effectively converted in a catalytic process by methane decomposition into solid carbon and a hydrogen/methane mixture that can be directly fed to a hydrogenation unit to load a LOHC with hydrogen. This allows for a straight-forward separation of hydrogen from CH 4 and conversion of hydrogen to a hydrogen-rich LOHC material. Both, the hydrogen-rich LOHC material and the generated carbon on metal can easily be transported to destinations of further industrial use by established transport systems, like ships or trucks. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Ion beam analysis of hydrogen retained in carbon nanotubes and carbon films

International Nuclear Information System (INIS)

McDaniel, F.D.; Holland, O.W.; Naab, F.U.; Mitchell, L.J.; Dhoubhadel, M.; Duggan, J.L.

2006-01-01

Carbon nanotubes (CNTs) are studied as a possible hydrogen storage medium for future energy needs. Typically, hydrogen is stored in the CNTs by exposure of the material to a high-pressure H 2 atmosphere at different temperatures. The maximum hydrogen concentrations stored following this method and measured using ion beam analysis do not exceed 1 wt.%. Introduction of defects by ion irradiation (i.e. implantation) prior to high-pressure H 2 treatment, offers an alternative method to activate H adsorption and enhance the chemisorption of hydrogen. This is a preliminary work where hydrogen was introduced into single-wall nanotubes and carbon films by low-energy (13.6 keV) hydrogen ion implantation. Elastic recoil detection was used to measure the quantity and depth distribution of hydrogen retained in the carbonaceous materials. Results show that there are substantial differences in the measured profiles between the CNT samples and the vitreous carbon. On another hand, only ∼43% of the implanted hydrogen in the CNTs is retained in the region where it should be located according to the SRIM simulations for a solid carbon sample

Storage of hydrogen in nanostructured carbon materials

OpenAIRE

Yürüm, Yuda; Yurum, Yuda; Taralp, Alpay; Veziroğlu, T. Nejat; Veziroglu, T. Nejat

2009-01-01

Recent developments focusing on novel hydrogen storage media have helped to benchmark nanostructured carbon materials as one of the ongoing strategic research areas in science and technology. In particular, certain microporous carbon powders, carbon nanomaterials, and specifically carbon nanotubes stand to deliver unparalleled performance as the next generation of base materials for storing hydrogen. Accordingly, the main goal of this report is to overview the challenges, distinguishing trait...

A first-principles study of lithium-decorated hybrid boron nitride and graphene domains for hydrogen storage

International Nuclear Information System (INIS)

Hu, Zi-Yu; Shao, Xiaohong; Wang, Da; Liu, Li-Min; Johnson, J. Karl

2014-01-01

First-principles calculations are performed to investigate the adsorption of hydrogen onto Li-decorated hybrid boron nitride and graphene domains of (BN) x C 1−x complexes with x = 1, 0.25, 0.5, 0.75, 0, and B 0.125 C 0.875 . The most stable adsorption sites for the nth hydrogen molecule in the lithium-decorated (BN) x C 1−x complexes are systematically discussed. The most stable adsorption sites were affected by the charge localization, and the hydrogen molecules were favorably located above the C-C bonds beside the Li atom. The results show that the nitrogen atoms in the substrate planes could increase the hybridization between the 2p orbitals of Li and the orbitals of H 2 . The results revealed that the (BN) x C 1−x complexes not only have good thermal stability but they also exhibit a high hydrogen storage of 8.7% because of their dehydrogenation ability

DEVELOPMENT OF DOPED NANOPOROUS CARBONS FOR HYDROGEN STORAGE

Energy Technology Data Exchange (ETDEWEB)

Lueking, Angela D.; Li, Qixiu; Badding, John V.; Fonseca, Dania; Gutierrez, Humerto; Sakti, Apurba; Adu, Kofi; Schimmel, Michael

2010-03-31

Hydrogen storage materials based on the hydrogen spillover mechanism onto metal-doped nanoporous carbons are studied, in an effort to develop materials that store appreciable hydrogen at ambient temperatures and moderate pressures. We demonstrate that oxidation of the carbon surface can significantly increase the hydrogen uptake of these materials, primarily at low pressure. Trace water present in the system plays a role in the development of active sites, and may further be used as a strategy to increase uptake. Increased surface density of oxygen groups led to a significant enhancement of hydrogen spillover at pressures less than 100 milibar. At 300K, the hydrogen uptake was up to 1.1 wt. % at 100 mbar and increased to 1.4 wt. % at 20 bar. However, only 0.4 wt% of this was desorbable via a pressure reduction at room temperature, and the high lowpressure hydrogen uptake was found only when trace water was present during pretreatment. Although far from DOE hydrogen storage targets, storage at ambient temperature has significant practical advantages oner cryogenic physical adsorbents. The role of trace water in surface modification has significant implications for reproducibility in the field. High-pressure in situ characterization of ideal carbon surfaces in hydrogen suggests re-hybridization is not likely under conditions of practical interest. Advanced characterization is used to probe carbon-hydrogen-metal interactions in a number of systems and new carbon materials have been developed.

Facile synthesis and enhanced visible-light photocatalysis of graphitic carbon nitride composite semiconductors.

Science.gov (United States)

Li, Huiquan; Liu, Yuxing; Gao, Xing; Fu, Cong; Wang, Xinchen

2015-04-13

The semiconductor heterojunction has been an effective architecture to enhance photocatalytic activity by promoting photogenerated charge separation. Here, graphitic carbon nitride (CN) and B-modified graphitic carbon nitride (CNB) composite semiconductors were fabricated by a facile calcination process using cheap, sustainable, and easily available sodium tetraphenylboron and urea as precursors. The synthetic CN-CNB-25 semiconductor with a suitable CNB content showed the highest visible-light activity. Its degradation ratio for methyl orange and phenol was more than twice that of CN and CNB and its H2 evolution rate was ∼3.4 and ∼1.8 times higher than that of CN and CNB, respectively. It also displayed excellent stability and reusability. The enhanced activity of CN-CNB-25 was attributed predominantly to the efficient separation of photoinduced electrons and holes. This paper describes a visible-light-responsive CN composite semiconductor with great potential in environmental and energy applications. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Fabrication of vanadium nitride by carbothermal nitridation reaction

International Nuclear Information System (INIS)

Wang Xitang; Wang Zhuofu; Zhang Baoguo; Deng Chengji

2005-01-01

Vanadium nitride is produced from V 2 O 5 by carbon-thermal reduction and nitridation. When the sintered temperature is above 1273 K, VN can be formed, and the nitrogen content of the products increased with the firing temperature raised, and then is the largest when the sintered temperature is 1573 K. The C/V 2 O 5 mass ratio of the green samples is the other key factor affecting on the nitrogen contents of the products. The nitrogen content of the products reaches the most when the C/V 2 O 5 mass ratio is 0.33, which is the theoretical ratio of the carbothermal nitridation of V 2 O 5 . (orig.)

Carbon deposition and hydrogen retention in tokamak

International Nuclear Information System (INIS)

Tanabe, Tetsuo

2006-01-01

The results of measurements on co-deposition of hydrogen isotopes and wall materials, hydrogen retention, redeposition of carbon and deposition of hydrogen on PMI of JT-60U are described. From above results, selection of plasma facing material and ability of carbon wall is discussed. Selection of plasma facing materials in fusion reactor, characteristics of carbon materials as the plasma facing materials, erosion, transport and deposition of carbon impurity, deposition of tritium in JET, results of PMI in JT-60, application of carbon materials to PFM of ITER, and future problems are stated. Tritium co-deposition in ITER, erosion and transport of carbon in tokamak, distribution of tritium deposition on graphite tile used as bumper limiter of TFTR, and measurement results of deposition of tritium on the Mark-IIA divertor tile and comparison between them are described. (S.Y.)

TEM investigation of DC sputtered carbon-nitride-nickel thin films

International Nuclear Information System (INIS)

Safran, G.; Geszti, O.; Radnoczi, G.

2002-01-01

Deposition of carbon nitride (C-N) and carbon-nitride-nickel (C-N-Ni) films onto glass, NaCl and Si(001) substrates was carried out in a dc magnetron sputtering system. Carbon was deposited from high-purity (99.99%) pyrolytic graphite target, 50 mm in diameter, positioned at 10 cm from a resistance-heated substrate holder. C-N-Ni films were grown by a small Ni plate mounted on the graphite target. The base pressure of the deposition chamber was ∼7x10 -7 Torr. Films were grown at a substrate temperature of 20-700 grad C, in pure N 2 at partial pressures of 1.9 -2.2 mTorr and the substrates were held at ground potential. The typical film thickness of 15-30 nm was deposited on all the substrates at a magnetron current of 0.2 and 0.3 A, which resulted in a deposition rate of 1.5-2 nm/s. Structural characterizations were performed by high-resolution transmission electron microscopy (HRTEM) using a JEOL 3010 operated at 300 kV and a 200 kV Philips CM 20 electron microscope equipped with a Ge detector Noran EDS system. The N content of the C-N samples prepared at room temperature was 22-24% by EDS measurement and showed a decrease to 6-7% at elevated temperatures up to 700 grad C. The N concentration in the C-N-Ni films was higher: ∼38% at RT and ∼9% at 700 grad C. The Ni concentration of C-N-Ni samples was 5-6% and 0.3-0.4% in samples deposited at RT and 700 grad C respectively. The low Ni content in the latter is attributed to a decrease of the sticking coefficient of the carbon co-deposited Ni at elevated temperatures. (Authors)

Nanomaterials for Hydrogen Storage Applications: A Review

Directory of Open Access Journals (Sweden)

Michael U. Niemann

2008-01-01

Full Text Available Nanomaterials have attracted great interest in recent years because of the unusual mechanical, electrical, electronic, optical, magnetic and surface properties. The high surface/volume ratio of these materials has significant implications with respect to energy storage. Both the high surface area and the opportunity for nanomaterial consolidation are key attributes of this new class of materials for hydrogen storage devices. Nanostructured systems including carbon nanotubes, nano-magnesium based hydrides, complex hydride/carbon nanocomposites, boron nitride nanotubes, TiS2/MoS2 nanotubes, alanates, polymer nanocomposites, and metal organic frameworks are considered to be potential candidates for storing large quantities of hydrogen. Recent investigations have shown that nanoscale materials may offer advantages if certain physical and chemical effects related to the nanoscale can be used efficiently. The present review focuses the application of nanostructured materials for storing atomic or molecular hydrogen. The synergistic effects of nanocrystalinity and nanocatalyst doping on the metal or complex hydrides for improving the thermodynamics and hydrogen reaction kinetics are discussed. In addition, various carbonaceous nanomaterials and novel sorbent systems (e.g. carbon nanotubes, fullerenes, nanofibers, polyaniline nanospheres and metal organic frameworks etc. and their hydrogen storage characteristics are outlined.

Hydrotreatment activities of supported molybdenum nitrides and carbides

Energy Technology Data Exchange (ETDEWEB)

Dolce, G.M.; Savage, P.E.; Thompson, L.T. [University of Michigan, Ann Arbor, MI (United States). Dept. of Chemical Engineering

1997-05-01

The growing need for alternative sources of transportation fuels encourages the development of new hydrotreatment catalysts. These catalysts must be active and more hydrogen efficient than the current commercial hydrotreatment catalysts. Molybdenum nitrides and carbides are attractive candidate materials possessing properties that are comparable or superior to those of commercial sulfide catalysts. This research investigated the catalytic properties of {gamma}-Al{sub 2}O{sub 3}-supported molybdenum nitrides and carbides. These catalysts were synthesized via temperature-programmed reaction of supported molybdenum oxides with ammonia or methane/hydrogen mixtures. Phase constituents and compositions were determined by X-ray diffraction, elemental analysis, and neutral activation analysis. Oxygen chemisorption was used to probe the surface properties of the catalysts. Specific activities of the molybdenum nitrides and carbides were competitive with those of a commercial sulfide catalyst for hydrodenitrogenation (HDN), hydrodesulfurization (HDS), and hydrodeoxygenation (HDO). For HDN and HDS, the catalytic activity on a molybdenum basis was a strong inverse function of the molybdenum loading. Product distributions of the HDN, HDO and HDS of a variety of heteroatom compounds indicated that several of the nitrides and carbides were more hydrogen efficient than the sulfide catalyst. 35 refs., 8 figs., 7 tabs.

Confinement of hydrogen at high pressure in carbon nanotubes

Science.gov (United States)

Lassila, David H [Aptos, CA; Bonner, Brian P [Livermore, CA

2011-12-13

A high pressure hydrogen confinement apparatus according to one embodiment includes carbon nanotubes capped at one or both ends thereof with a hydrogen-permeable membrane to enable the high pressure confinement of hydrogen and release of the hydrogen therethrough. A hydrogen confinement apparatus according to another embodiment includes an array of multi-walled carbon nanotubes each having first and second ends, the second ends being capped with palladium (Pd) to enable the high pressure confinement of hydrogen and release of the hydrogen therethrough as a function of palladium temperature, wherein the array of carbon nanotubes is capable of storing hydrogen gas at a pressure of at least 1 GPa for greater than 24 hours. Additional apparatuses and methods are also presented.

Polymeric carbon nitride nanomesh as an efficient and durable metal-free catalyst for oxidative desulfurization.

Science.gov (United States)

Shen, Lijuan; Lei, Ganchang; Fang, Yuanxing; Cao, Yanning; Wang, Xinchen; Jiang, Lilong

2018-03-06

We report the first use of polymeric carbon nitride (CN) for the catalytic selective oxidation of H 2 S. The as-prepared CN with unique ultrathin "nanomeshes" structure exhibits excellent H 2 S conversion and high S selectivity. In particular, the CN nanomesh also displays better durability in the desulfurization reaction than traditional catalysts, such as carbon- and iron-based materials.

Voids padding induced further enhancement in photocatalytic performance of porous graphene-like carbon nitride

Energy Technology Data Exchange (ETDEWEB)

Dong, Guohui [Hubei Key Laboratory of Accoutrement Technique in Fluid Machinery and Power Engineering, Wuhan university, Hubei 430072 (China); Laboratory of Environmental Sciences and Technology, Xinjiang Technical Institute of Physics & Chemistry, Chinese Academy of Sciences, Urumqi 830011 (China); Chen, Dong [Hubei Key Laboratory of Accoutrement Technique in Fluid Machinery and Power Engineering, Wuhan university, Hubei 430072 (China); Luo, Jianmin [Laboratory of Environmental Sciences and Technology, Xinjiang Technical Institute of Physics & Chemistry, Chinese Academy of Sciences, Urumqi 830011 (China); The Graduate School of Chinese Academy of Science, Beijing, 100049 (China); Zhu, Yunqing [Laboratory of Environmental Sciences and Technology, Xinjiang Technical Institute of Physics & Chemistry, Chinese Academy of Sciences, Urumqi 830011 (China); Zeng, Yubin, E-mail: zengyubin@whu.edu.cn [Hubei Key Laboratory of Accoutrement Technique in Fluid Machinery and Power Engineering, Wuhan university, Hubei 430072 (China); Wang, Chuanyi, E-mail: cywang@ms.xjb.ac.cn [Hubei Key Laboratory of Accoutrement Technique in Fluid Machinery and Power Engineering, Wuhan university, Hubei 430072 (China); Laboratory of Environmental Sciences and Technology, Xinjiang Technical Institute of Physics & Chemistry, Chinese Academy of Sciences, Urumqi 830011 (China)

2017-08-05

Highlights: • We synthesized an NH{sub 4}Cl padded C{sub 6}N{sub 9}H{sub 3} by calcining melamine hydrochloride in a vertical pit furnace. • The padded Cl{sup −} serves as a conjugate center to increase the conjugation fidelity of C{sub 6}N{sub 9}H{sub 3}. • Interface electric field can be constructed between Cl{sup −} and NH{sub 4}{sup +} to inhibit the surface recombination of carriers. • NH{sub 4}Cl padded C{sub 6}N{sub 9}H{sub 3} exhibits enhanced photocatalytic activity in terms of NO removal and water splitting. - Abstract: Design of 2-Dimensional nanostructured photocatalyst is an effective way to improve the photocatalytic activity of its bulk counterpart. However, the remaining (or newborn) drawbacks, such as enlarged band gap and the surface recombination of photogenerated charge carries, extremely limited the practical application of nanosheeted photocatalysts in solar energy conversion. In this study, we demonstrated that the voids padding with NH{sub 4}Cl can eliminate part of quantum size effect to reduce the band gap of nanosheeted carbon nitride. In addition, the padded NH{sub 4}Cl can create conjugate center and interface electric field in nanosheeted carbon nitride, and therefore to inhibit the surface recombination of photogenerated charge carries. This work not only provides a facile strategy to eliminate the drawbacks of nanosheeted carbon nitride, but also paves a new way to further improve the photocatalytic activity of other nano-sheeted materials.

Electrochemical Hydrogen Storage in a Highly Ordered Mesoporous Carbon

Directory of Open Access Journals (Sweden)

Dan eLiu

2014-10-01

Full Text Available A highly order mesoporous carbon has been synthesized through a strongly acidic, aqueous cooperative assembly route. The structure and morphology of the carbon material were investigated using TEM, SEM and nitrogen adsorption-desorption isotherms. The carbon was proven to be meso-structural and consisted of graphitic micro-domain with larger interlayer space. AC impedance and electrochemical measurements reveal that the synthesized highly ordered mesoporous carbon exhibits a promoted electrochemical hydrogen insertion process and improved capacitance and hydrogen storage stability. The meso-structure and enlarged interlayer distance within the highly ordered mesoporous carbon are suggested as possible causes for the enhancement in hydrogen storage. Both hydrogen capacity in the carbon and mass diffusion within the matrix were improved.

Study of corrosion resistance properties of nitrided carbon steel using radiofrequency N{sub 2}/H{sub 2} cold plasma process

Energy Technology Data Exchange (ETDEWEB)

Bouanis, F.Z. [Unite Materiaux et Transformations (UMET), Ingenierie des Systemes Polymeres, CNRS UMR 8207, ENSCL, BP 90108, F-59652 Villeneuve d' Ascq Cedex (France); Jama, C., E-mail: charafeddine.jama@ensc-lille.f [Unite Materiaux et Transformations (UMET), Ingenierie des Systemes Polymeres, CNRS UMR 8207, ENSCL, BP 90108, F-59652 Villeneuve d' Ascq Cedex (France); Traisnel, M. [Unite Materiaux et Transformations (UMET), Ingenierie des Systemes Polymeres, CNRS UMR 8207, ENSCL, BP 90108, F-59652 Villeneuve d' Ascq Cedex (France); Bentiss, F. [Laboratoire de Chimie de Coordination et d' Analytique, Faculte des Sciences, Universite Chouaib Doukkali, B.P. 20, M-24000 El Jadida (Morocco)

2010-10-15

C38 carbon steel have been plasma-nitrided using a radiofrequency cold plasma discharge treatment in order to investigate the influence of gas composition on corrosion behaviour of nitrided substrates. The investigated C38 steel was nitrided by a RF plasma discharge treatment using two different gas mixtures (75% N{sub 2}/25% H{sub 2} and 25% N{sub 2}/75% H{sub 2}) at different times of plasma-treatment on non-heated substrates. Electron Probe Microanalysis (EPMA) showed that the nitrided layer formed using 75% N{sub 2}/25% H{sub 2} gas mixture was thicker compared to those formed in the case of 25% N{sub 2}/75% H{sub 2} or pure N{sub 2}. The modifications of the corrosion resistance characteristics of plasma-nitrided C38 steel in 1 M HCl solution were investigated by weight loss measurements and ac impedance technique. The results obtained from these two evaluation methods were in good agreement. It was shown that the nitriding treatment in both cases (75% N{sub 2}/25% H{sub 2} and 25% N{sub 2}/75% H{sub 2}) improves the corrosion resistance of investigated carbon steel, while the better performance is obtained for the 75% N{sub 2}/25% H{sub 2} gas mixture. X-ray photoelectron spectroscopy (XPS) was carried out before and after immersion in corrosive medium in order to establish the mechanism of corrosion inhibition using N{sub 2}/H{sub 2} cold plasma nitriding process.

Hydrogen storage using microporous carbon materials

International Nuclear Information System (INIS)

B Buczek; E Wolak

2005-01-01

temperatures than liquefaction. Last years have brought the interest in hydrogen storage in porous carbon materials, caused by the design and accessibility of new materials, such as fullerenes, carbon nano-tubes and nano-fibers. In particular the tubular carbon structures are perspective highly adsorbing materials, for their surface adsorption (on the internal and external surface of the nano-tubes), and for the effect of capillary condensation. Data presented in Table 1 show that the amount of hydrogen adsorbed on these new materials depends of their modification and on the type of carbon precursor. In this work the concept of hydrogen storage by adsorption was analyzed. The discussion is based on measurements of hydrogen adsorption on commercial active carbon in the temperature range 77 - 298 K at pressures up to 4 MPa. The amount of gas that can be stored in an adsorption system depends on the adsorbent characteristics and the operating conditions. Adsorption method was compared with another one taking into account both technical and economical aspects. The results show that the adsorption technique could provide a viable method for hydrogen storage

Hydrogen adsorption on partially oxidised microporous carbons

International Nuclear Information System (INIS)

J B Parra; C O Ania; C J Duran Valle; M L Sanchez; C Otero Arean

2005-01-01

The search for cost effective adsorbents for large scale gas separation, storage and transport constitutes a present day strategic issue in the energy sector, propelled mainly by the potential use of hydrogen as an energy vector in a sustainable (and cleaner) energy scenario. Both, activated carbons and carbon based nano-structured materials have been proposed as potential candidates for reversible hydrogen storage in cryogenically cooled vessels. For that purpose, surface modification so as to enhance the gas solid interaction energy is desirable. We report on hydrogen adsorption on microporous (active) carbons which have been partially oxidised with nitric acid and ammonium persulfate. From the corresponding hydrogen adsorption isotherms (Fig. 1) an isosteric heat of about 3 kJ mol -1 was derived. This value is in agreement with that of about 3 to 4 kJ mol -1 obtained by quantum chemical calculations on the interaction between the hydrogen molecule and simple model systems (Fig. 2) of both, hydroxyl and carboxyl groups. Further research is in progress with a view to further increases the gas solid interaction energy. However, the values so far obtained are significantly larger than the liquefaction enthalpy of hydrogen: 0.90 kJ mol -1 ; and this is relevant to both, hydrogen separation from gas mixtures and cryogenic hydrogen storage. (authors)

Thermodynamics of silicon nitridation - Effect of hydrogen

Science.gov (United States)

Shaw, N. J.; Zeleznik, F. J.

1982-01-01

Equilibrium compositions for the nitridization of Si were calculated to detect the effectiveness of H2 in removal of the oxide film and in increasing the concentration of SiO and reducing the proportions of O2. Gibbs free energy for the formation of SiN2O was computed above 1685 K, and at lower temperatures. The thermodynamic properties of SiN2O2 were then considered from 1000-3000 K, taking into account the known thermodynamic data for 39 molecular combinations of the Si, Ni, and O. The gases formed were assumed ideal mixtures with pure phase condensed species. The mole fractions were obtained for a system of SiO2 with each Si particle covered with a thin layer of SiO2 before nitridation, and a system in which the nitriding atmosphere had access to the Si. The presence of H2 was determined to enhance the removal of NiO2 in the first system, decrease the partial pressure of O2, increase the partial pressures of SiO, Si, H2O, NH3, and SiH4, while its effects were negligible in the Si system.

Carbon nitride films synthesized by NH3-ion-beam-assisted deposition

International Nuclear Information System (INIS)

Song, H.W.; Cui, F.Z.; He, X.M.; Li, W.Z.; Li, H.D.

1994-01-01

Carbon nitride thin film films have been prepared by NH 3 -ion-beam-assisted deposition with bombardment energies of 200-800 eV at room temperature. These films have been characterized by transmission electron microscopy. Auger electron spectroscopy and x-ray photoelectron spectroscopy for chemical analysis. It was found that the structure of the films varied with the bombardment energy. In the case of 400 eV bombardment, the tiny crystallites immersed on an amorphous matrix were identified to be β-C 3 N 4 . X-ray photoelectron spectroscopy indicated that some carbon atoms and nitrogen atoms form unpolarized covalent bonds in these films. (Author)

Designing Microporus Carbons for Hydrogen Storage Systems

Energy Technology Data Exchange (ETDEWEB)

Alan C. Cooper

2012-05-02

An efficient, cost-effective hydrogen storage system is a key enabling technology for the widespread introduction of hydrogen fuel cells to the domestic marketplace. Air Products, an industry leader in hydrogen energy products and systems, recognized this need and responded to the DOE 'Grand Challenge' solicitation (DOE Solicitation DE-PS36-03GO93013) under Category 1 as an industry partner and steering committee member with the National Renewable Energy Laboratory (NREL) in their proposal for a center-of-excellence on Carbon-Based Hydrogen Storage Materials. This center was later renamed the Hydrogen Sorption Center of Excellence (HSCoE). Our proposal, entitled 'Designing Microporous Carbons for Hydrogen Storage Systems,' envisioned a highly synergistic 5-year program with NREL and other national laboratory and university partners.

Facile fabrication of ordered mesoporous graphitic carbon nitride for RhB photocatalytic degradation

Energy Technology Data Exchange (ETDEWEB)

Luo, Lei; Zhang, Anfeng [State Key Laboratory of Fine Chemicals, PSU-DUT Joint Center for Energy Research, School of Chemical Engineering, Dalian University of Technology, Dalian 116024 (China); Janik, Michael J. [EMS Energy Institute, PSU-DUT Joint Center for Energy Research and Department of Energy & Mineral Engineering, Pennsylvania State University, University Park, PA 16802 (United States); Li, Keyan [State Key Laboratory of Fine Chemicals, PSU-DUT Joint Center for Energy Research, School of Chemical Engineering, Dalian University of Technology, Dalian 116024 (China); Song, Chunshan [State Key Laboratory of Fine Chemicals, PSU-DUT Joint Center for Energy Research, School of Chemical Engineering, Dalian University of Technology, Dalian 116024 (China); EMS Energy Institute, PSU-DUT Joint Center for Energy Research and Department of Energy & Mineral Engineering, Pennsylvania State University, University Park, PA 16802 (United States); Guo, Xinwen, E-mail: guoxw@dlut.edu.cn [State Key Laboratory of Fine Chemicals, PSU-DUT Joint Center for Energy Research, School of Chemical Engineering, Dalian University of Technology, Dalian 116024 (China)

2017-02-28

Highlights: • Ordered mesoporous graphitic carbon nitrides with S{sub BET} = 279.3 m{sup 2}/g were prepared. • Enhanced photocatalytic activity and reusability were presented. • Improved S{sub BET} and charge carrier separation efficiency contribute to the activity. - Abstract: Ordered mesoporous graphitic carbon nitrides were prepared by directly condensing the uniform mixtures of melamine and KIT-6. After removal of the KIT-6 sacrificial template, the carbon nitrides were characterized with TEM, N{sub 2} physical adsorption, XRD, FT-IR, XPS, UV–vis and PL spectrometries, and tested for their RhB photocatalytic degradation activity. Together, these characterizations confirmed the as-prepared tunable mesoporous materials with enhanced charge separation efficiency and superior photocatalytic performance. Compared with a conventional bulk g-C{sub 3}N{sub 4}, ordered mesoporous g-C{sub 3}N{sub 4} exhibits a larger specific surface area of 279.3 m{sup 2}/g and a pore size distribution about 4.0 nm and 13.0 nm. Meanwhile, the reduced bandgap energy of 2.77 eV and lower photogenerated electron-hole pair recombination frequency were evidenced by UV–Vis and PL spectra. The RhB photocatalytic degradation activity maximizes with a mass ratio of KIT-6/melamine of 80% (KCN80), and the kinetic constant reaches 0.0760 min{sup −1} which is 16 times higher than that of the bulk sample. Reusability of KCN80 was demonstrated by a lack of evident deactivation after three consecutive reaction periods. The direct condensation of the KIT-6 and melamine mixture does not require pre-casting of the precursor into the pore system of the templates. Owing to its high product yield, improved S{sub BET}, reduced bandgap energy and limited charge recombination, the facile-prepared ordered mesoporous g-C{sub 3}N{sub 4} is a practical candidate for further modification.

Carbon strategy and management in the hydrogen economy

International Nuclear Information System (INIS)

Snyder, C.

2006-01-01

Greenhouse gas (carbon) emission reduction related to the beneficial use of hydrogen is an important aspect in the development and public acceptance of a greater role for hydrogen in the economy. This presentation is an overview of potential effects of the evolving regulatory framework for carbon emissions management in Canada on hydrogen infrastructure development and compare it with activities in other jurisdictions

Modelling hydrogen permeation in a hydrogen effusion probe for monitoring corrosion of carbon steels

International Nuclear Information System (INIS)

Santiwiparat, P.; Rirksomboon, T.; Steward, F.R.; Lister, D.H.; Cook, W.G.

2015-01-01

Hydrogen accumulation inside carbon steel and stainless steel devices shaped like cylindrical cups attached to a pipe containing hydrogen gas was modelled with MATLAB software. Hydrogen transfer around the bottom of the cups (edge effect) and diffusion through the cup walls (material effect) were accounted for. The variation of hydrogen pressure with time was similar for both materials, but the hydrogen plateau pressures in stainless steel cups were significantly higher than those in carbon steel cups. The geometry of the cup also affected the plateau pressure inside the cup. (author)

Alginic Acid-Aided Dispersion of Carbon Nanotubes, Graphene, and Boron Nitride Nanomaterials for Microbial Toxicity Testing.

Science.gov (United States)

Wang, Ying; Mortimer, Monika; Chang, Chong Hyun; Holden, Patricia A

2018-01-30

Robust evaluation of potential environmental and health risks of carbonaceous and boron nitride nanomaterials (NMs) is imperative. However, significant agglomeration of pristine carbonaceous and boron nitride NMs due to strong van der Waals forces renders them not suitable for direct toxicity testing in aqueous media. Here, the natural polysaccharide alginic acid (AA) was used as a nontoxic, environmentally relevant dispersant with defined composition to disperse seven types of carbonaceous and boron nitride NMs, including multiwall carbon nanotubes, graphene, boron nitride nanotubes, and hexagonal boron nitride flakes, with various physicochemical characteristics. AA's biocompatibility was confirmed by examining AA effects on viability and growth of two model microorganisms (the protozoan Tetrahymena thermophila and the bacterium Pseudomonas aeruginosa ). Using 400 mg·L -1 AA, comparably stable NM (200 mg·L -1 ) stock dispersions were obtained by 30-min probe ultrasonication. AA non-covalently interacted with NM surfaces and improved the dispersibility of NMs in water. The dispersion stability varied with NM morphology and size rather than chemistry. The optimized dispersion protocol established here can facilitate preparing homogeneous NM dispersions for reliable exposures during microbial toxicity testing, contributing to improved reproducibility of toxicity results.

Alginic Acid-Aided Dispersion of Carbon Nanotubes, Graphene, and Boron Nitride Nanomaterials for Microbial Toxicity Testing

Directory of Open Access Journals (Sweden)

Ying Wang

2018-01-01

Full Text Available Robust evaluation of potential environmental and health risks of carbonaceous and boron nitride nanomaterials (NMs is imperative. However, significant agglomeration of pristine carbonaceous and boron nitride NMs due to strong van der Waals forces renders them not suitable for direct toxicity testing in aqueous media. Here, the natural polysaccharide alginic acid (AA was used as a nontoxic, environmentally relevant dispersant with defined composition to disperse seven types of carbonaceous and boron nitride NMs, including multiwall carbon nanotubes, graphene, boron nitride nanotubes, and hexagonal boron nitride flakes, with various physicochemical characteristics. AA’s biocompatibility was confirmed by examining AA effects on viability and growth of two model microorganisms (the protozoan Tetrahymena thermophila and the bacterium Pseudomonas aeruginosa. Using 400 mg·L−1 AA, comparably stable NM (200 mg·L−1 stock dispersions were obtained by 30-min probe ultrasonication. AA non-covalently interacted with NM surfaces and improved the dispersibility of NMs in water. The dispersion stability varied with NM morphology and size rather than chemistry. The optimized dispersion protocol established here can facilitate preparing homogeneous NM dispersions for reliable exposures during microbial toxicity testing, contributing to improved reproducibility of toxicity results.

Hydrogen adsorption in doped porous carbons

International Nuclear Information System (INIS)

L Balan; L Duclaux; S Los

2005-01-01

Full text of publication follows: Hydrogen is a clean fuel that will be used in automotive transport when the problem of storage will be solved. The difficulties of H 2 storage (available space, security and performance, etc...) require a material that can store 5 weight % of hydrogen. Research is focused on new materials that can assume the constraints imposed by the automotive applications. Among these materials, the nano-structured carbons (nano-fibers and single walled carbon nano-tubes) were claimed to be promising by numerous authors [1-3]. The more promising carbon materials for hydrogen adsorption are those having micropores (i. e. single walled carbon nano-tubes and activated carbon), for which the energy of sorption of hydrogen molecules is theoretically higher [7-8]. Presently, the best performance of hydrogen adsorption was found in super-activated microporous carbons sorbing 5 weight % at 77 K, and almost 0.5 % at room temperature and 6 MPa [9]. Up to now, the performance of these materials can still be improved as the known mechanism of sorption in these carbon materials: physi-sorption controlled by Van der Waals attractive forces through London interaction is efficient at cryogenic temperatures (77 K) where the interaction between adsorbent and adsorbate becomes stronger. One way to improve the attractive interaction between adsorbent and molecule is to increase the forces due to the interaction of electrical field and induced dipole of the molecule. This can be theoretically tailored in carbon materials through the electron charge transfer by electron donors who can provide an increase in the electrical field at the surface of the adsorbent. Then, the doping of carbon substrates, appearing to be a promising method to increase the energy of adsorption has been proposed in recent papers as a solution to obtain good hydrogen adsorption properties at appropriate temperatures close to room temperatures [10-12]. Thus, we have studied the adsorption

Hydrogen adsorption in doped porous carbons

International Nuclear Information System (INIS)

Balan, L.; Duchaux, L.; Los, S.

2005-01-01

Full text of publication follows: Hydrogen is a clean fuel that will be used in automotive transport when the problem of storage will be solved. The difficulties of H 2 storage (available space, security and performance, etc...) require a material that can store 5 weight % of hydrogen. Research is focused on new materials that can assume the constraints imposed by the automotive applications. Among these materials, the nano-structured carbons (nano-fibers and single walled carbon nano-tubes) were claimed to be promising by numerous authors [1-3]. The more promising carbon materials for hydrogen adsorption are those having micropores (i. e. single walled carbon nano-tubes and activated carbon), for which the energy of sorption of hydrogen molecules is theoretically higher [7- 8]. Presently, the best performance of hydrogen adsorption was found in super-activated micro-porous carbons sorbing 5 weight % at 77 K, and almost 0.5 % at room temperature and 6 MPa [9]. Up to now, the performance of these materials can still be improved as the known mechanism of sorption in these carbon materials: physisorption controlled by Van der Waals attractive forces through London interaction is efficient at cryogenic temperatures (77 K) where the interaction between adsorbent and adsorbate becomes stronger. One way to improve the attractive interaction between adsorbent and molecule is to increase the forces due to the interaction of electrical field and induced dipole of the molecule. This can be theoretically tailored in carbon materials through the electron charge transfer by electron donors who can provide an increase in the electrical field al the surface of the adsorbent. Then, the doping of carbon substrates, appearing to be a promising method to increase the energy of adsorption has been proposed in recent papers as a solution to obtain good hydrogen adsorption properties at appropriate temperatures close to room temperatures [10-12]. Thus, we have studied the adsorption

Molybdenum carbide-carbon nanocomposites synthesized from a reactive template for electrochemical hydrogen evolution

KAUST Repository

Alhajri, Nawal Saad

2014-01-01

Molybdenum carbide nanocrystals (Mo2C) with sizes ranging from 3 to 20 nm were synthesized within a carbon matrix starting from a mesoporous graphitic carbon nitride (mpg-C3N4) template with confined pores. A molybdenum carbide phase (Mo2C) with a hexagonal structure was formed using a novel synthetic method involving the reaction of a molybdenum precursor with the carbon residue originating from C3N4 under nitrogen at various temperatures. The synthesized nanocomposites were characterized using powder X-ray diffraction (XRD), temperature-programmed reaction with mass spectroscopy (MS), CHN elemental analyses, thermogravimetric analyses (TGA), nitrogen sorption, X-ray photoelectron spectroscopy (XPS), and transmission electron microscopy (TEM). The results indicated that the synthesized samples have different surface structures and compositions, which are accordingly expected to exhibit different electrocatalytic activities toward the hydrogen evolution reaction (HER). Electrochemical measurements demonstrated that the sample synthesized at 1323 K exhibited the highest and most stable HER current in acidic media, with an onset potential of -100 mV vs. RHE, among the samples prepared in this study. This result is attributed to the sufficiently small particle size (∼8 nm on average) and accordingly high surface area (308 m2 g-1), with less oxidized surface entrapped within the graphitized carbon matrix. © 2014 the Partner Organisations.

Experimental studies of hydrogen on boron nitride: II. NMR studies of orientational ordering of H2

International Nuclear Information System (INIS)

Evans, M.D.; Sullivan, N.S.

1995-01-01

The authors report the results of NMR studies of thin films of hydrogen adsorbed on hexagonal boron nitride. Orientational ordering is observed below 1 K but the ordering is not complete, and a clear two-component ordering is observed. Molecules are either (i) almost completely ordered with local order parameters σ=left-angle 1-3/2Jz 2 right-angle clustered close to a maximum value of σ congruent 0.94 (comparable to the values for long range ordering in bulk samples at high ortho concentrations), and (ii) a large fraction of the molecules that remain nearly disordered with σ≤0.25. The degree of orientational ordering depends on the number of hydrogen layers and on the ortho-hydrogen concentration, and these studies indicate that ordering occurs principally in the first four layers closest to the substrate, with weaker orientational ordering in the outer layers near the free surface even at temperatures as low as 210 mK

Solar-Driven Reduction of Aqueous Protons Coupled to Selective Alcohol Oxidation with a Carbon Nitride-Molecular Ni Catalyst System.

Science.gov (United States)

Kasap, Hatice; Caputo, Christine A; Martindale, Benjamin C M; Godin, Robert; Lau, Vincent Wing-Hei; Lotsch, Bettina V; Durrant, James R; Reisner, Erwin

2016-07-27

Solar water-splitting represents an important strategy toward production of the storable and renewable fuel hydrogen. The water oxidation half-reaction typically proceeds with poor efficiency and produces the unprofitable and often damaging product, O2. Herein, we demonstrate an alternative approach and couple solar H2 generation with value-added organic substrate oxidation. Solar irradiation of a cyanamide surface-functionalized melon-type carbon nitride ((NCN)CNx) and a molecular nickel(II) bis(diphosphine) H2-evolution catalyst (NiP) enabled the production of H2 with concomitant selective oxidation of benzylic alcohols to aldehydes in high yield under purely aqueous conditions, at room temperature and ambient pressure. This one-pot system maintained its activity over 24 h, generating products in 1:1 stoichiometry, separated in the gas and solution phases. The (NCN)CNx-NiP system showed an activity of 763 μmol (g CNx)(-1) h(-1) toward H2 and aldehyde production, a Ni-based turnover frequency of 76 h(-1), and an external quantum efficiency of 15% (λ = 360 ± 10 nm). This precious metal-free and nontoxic photocatalytic system displays better performance than an analogous system containing platinum instead of NiP. Transient absorption spectroscopy revealed that the photoactivity of (NCN)CNx is due to efficient substrate oxidation of the material, which outweighs possible charge recombination compared to the nonfunctionalized melon-type carbon nitride. Photoexcited (NCN)CNx in the presence of an organic substrate can accumulate ultralong-lived "trapped electrons", which allow for fuel generation in the dark. The artificial photosynthetic system thereby catalyzes a closed redox cycle showing 100% atom economy and generates two value-added products, a solar chemical, and solar fuel.

Surface Functionalization of g-C 3 N 4 : Molecular-Level Design of Noble-Metal-Free Hydrogen Evolution Photocatalysts

KAUST Repository

Chen, Yin; Lin, Bin; Yu, Weili; Yang, Yong; Bashir, Shahid M.; Wang, Hong; Takanabe, Kazuhiro; Idriss, Hicham; Basset, Jean-Marie

2015-01-01

A stable noble-metal-free hydrogen evolution photocatalyst based on graphite carbon nitride (g-C3N4) was developed by a molecular-level design strategy. Surface functionalization was successfully conducted to introduce a single nickel active site

Substrate temperature influence on the trombogenicity in amorphous carbon nitride thin coatings

International Nuclear Information System (INIS)

Galeano-Osorio, D.S.; Vargas, S.; Lopez-Cordoba, L.M.; Ospina, R.; Restrepo-Parra, E.; Arango, P.J.

2010-01-01

Carbon nitride thin films were obtained through plasma assisted physical vapor deposition technique by pulsed arc, varying the substrate temperature and investigating the influence of this parameter on the films hemocompatibility. For obtaining approaches of blood compatibility, environmental scanning electron microscopy (ESEM) was used in order to study the platelets adherence and their morphology. Moreover, the elemental chemical composition was determined by using energy dispersive spectroscopy (EDS), finding C, N and O. The coatings hemocompatibility was evaluated by in vitro thrombogenicity test, whose results were correlated with the microstructure and roughness of the films obtained. During the films growth process, the substrate temperature was varied, obtaining coatings under different temperatures, room temperature (T room ), 100 deg. C, 150 deg. C and 200 deg. C. Parameters as interelectrodic distance, voltage, work pressure and number of discharges, were remained constant. By EDS, carbon and nitrogen were found in the films. Visible Raman spectroscopy was used, and it revealed an amorphous lattice, with graphitic process as the substrate temperature was increased. However, at a critical temperature of 150 deg. C, this tendency was broken, and the film became more amorphous. This film showed the lowest roughness, 2 ± 1 nm. This last characteristic favored the films hemocompatibility. Also, it was demonstrated that the blood compatibility of carbon nitride films obtained were affected by the I D /I G or sp 3 /sp 2 ratio and not by the absolute sp 3 or sp 2 concentration.

Hydrogen storage using microporous carbon materials

International Nuclear Information System (INIS)

Buczek, B.; Wolak, E.

2005-01-01

higher temperatures than liquefaction [3]. Last years have brought the interest in hydrogen storage in porous carbon materials, caused by the design and accessibility of new materials, such as fullerenes, carbon nano-tubes and nano-fibers. In particular the tubular carbon structures are perspective highly adsorbing materials, for their surface adsorption (on the internal and external surface of the nano-tubes), and for the effect of capillary condensation [4]. Data presented in Table 1 show that the amount of hydrogen adsorbed on these new materials depends of their modification and on the type of carbon precursor [5]. In this work the concept of hydrogen storage by adsorption was analyzed. The discussion is based on measurements of hydrogen adsorption on commercial active carbon in the temperature range 77 - 298 K at pressures up to 4 MPa. The amount of gas that can be stored in an adsorption system depends on the adsorbent characteristics and the operating conditions. Adsorption method was compared with another one taking into account both technical and economical aspects. The results show that the adsorption technique could provide a viable method for hydrogen storage. [1]G. D. Berry, A. D. Pastemak, G. D. Rambach, J. R. Smith, N. Schock, Energy. 21, 289, 1996; [2]L. Czepirski, Przem. Chem. 70, 129, 1991 (in Polish); [3]B. Buczek, L. Czepirski, Inz. Chem. Proc., 24, 545, 2003; [4]U. Huczko, Przem. Chem. 81, 19, 2002 (in Polish); [5]U. Buenger, W. Zittel, Appl. Phys. A 72, 147, 2001. (authors)

Density functional study of manganese atom adsorption on hydrogen-terminated armchair boron nitride nanoribbons

Energy Technology Data Exchange (ETDEWEB)

Abdullahi, Yusuf Zuntu [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Department of Physics, Faculty of Science, Kaduna State University, P.M.B. 2339, Kaduna State (Nigeria); Rahman, Md. Mahmudur, E-mail: mahmudur@upm.edu.my [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Shuaibu, Alhassan [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Department of Physics, Faculty of Science, Nigerian Defence Academy, P.M.B 2109 Kaduna (Nigeria); Abubakar, Shamsu [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Department of Physics, Faculty of Science, Yobe State University, P.M.B. 1144, Yobe State (Nigeria); Zainuddin, Hishamuddin [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Institute for Mathematical Research, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Muhida, Rifki [Department of Physics-Energy Engineering, Surya University, Gedung 01 Scientia Business Park, Jl. Boulevard Gading Serpong Blok O/1, Summarecon Serpong, Tangerang 15810, Banten (Indonesia); Setiyanto, Henry [Analytical Chemistry Research Group, Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung, Jl. Ganesha no. 10, Bandung 40132 (Indonesia)

2014-08-15

In this paper, we have investigated stable structural, electric and magnetic properties of manganese (Mn) atom adsorption on armchair hydrogen edge-terminated boron nitride nanoribbon (A-BNNRs) using first principles method based on density-functional theory with the generalized gradient approximation. Calculation shows that Mn atom situated on the ribbons of A-BNNRs is the most stable configuration, where the bonding is more pronounced. The projected density of states (PDOS) of the favored configuration has also been computed. It has been found that the covalent bonding of boron (B), nitrogen (N) and Mn is mainly contributed by s, d like-orbitals of Mn and partially occupied by the 2p like-orbital of N. The difference in energy between the inner and the edge adsorption sites of A-BNNRs shows that Mn atoms prefer to concentrate at the edge sites. The electronic structures of the various configurations are wide, narrow-gap semiconducting and half-metallic, and the magnetic moment of Mn atoms are well preserved in all considered configurations. This has shown that the boron nitride (BN) sheet covered with Mn atoms demonstrates additional information on its usefulness in future spintronics, molecular magnet and nanoelectronics devices.

Density functional study of manganese atom adsorption on hydrogen-terminated armchair boron nitride nanoribbons

International Nuclear Information System (INIS)

Abdullahi, Yusuf Zuntu; Rahman, Md. Mahmudur; Shuaibu, Alhassan; Abubakar, Shamsu; Zainuddin, Hishamuddin; Muhida, Rifki; Setiyanto, Henry

2014-01-01

In this paper, we have investigated stable structural, electric and magnetic properties of manganese (Mn) atom adsorption on armchair hydrogen edge-terminated boron nitride nanoribbon (A-BNNRs) using first principles method based on density-functional theory with the generalized gradient approximation. Calculation shows that Mn atom situated on the ribbons of A-BNNRs is the most stable configuration, where the bonding is more pronounced. The projected density of states (PDOS) of the favored configuration has also been computed. It has been found that the covalent bonding of boron (B), nitrogen (N) and Mn is mainly contributed by s, d like-orbitals of Mn and partially occupied by the 2p like-orbital of N. The difference in energy between the inner and the edge adsorption sites of A-BNNRs shows that Mn atoms prefer to concentrate at the edge sites. The electronic structures of the various configurations are wide, narrow-gap semiconducting and half-metallic, and the magnetic moment of Mn atoms are well preserved in all considered configurations. This has shown that the boron nitride (BN) sheet covered with Mn atoms demonstrates additional information on its usefulness in future spintronics, molecular magnet and nanoelectronics devices.

Laser ablation of molecular carbon nitride compounds

Energy Technology Data Exchange (ETDEWEB)

Fischer, D., E-mail: d.fischer@fkf.mpg.de [Max Planck Institute for Solid State Research, Heisenbergstr. 1, 70569 Stuttgart (Germany); Schwinghammer, K. [Max Planck Institute for Solid State Research, Heisenbergstr. 1, 70569 Stuttgart (Germany); Department of Chemistry, University of Munich, LMU, Butenandtstr. 5-13, 81377 Munich (Germany); Nanosystems Initiative Munich (NIM) and Center for Nanoscience (CeNS), 80799 Munich (Germany); Sondermann, C. [Max Planck Institute for Solid State Research, Heisenbergstr. 1, 70569 Stuttgart (Germany); Department of Chemistry, University of Munich, LMU, Butenandtstr. 5-13, 81377 Munich (Germany); Lau, V.W.; Mannhart, J. [Max Planck Institute for Solid State Research, Heisenbergstr. 1, 70569 Stuttgart (Germany); Lotsch, B.V. [Max Planck Institute for Solid State Research, Heisenbergstr. 1, 70569 Stuttgart (Germany); Department of Chemistry, University of Munich, LMU, Butenandtstr. 5-13, 81377 Munich (Germany); Nanosystems Initiative Munich (NIM) and Center for Nanoscience (CeNS), 80799 Munich (Germany)

2015-09-15

We present a method for the preparation of thin films on sapphire substrates of the carbon nitride precursors dicyandiamide (C{sub 2}N{sub 4}H{sub 4}), melamine (C{sub 3}N{sub 6}H{sub 6}), and melem (C{sub 6}N{sub 10}H{sub 6}), using the femtosecond-pulsed laser deposition technique (femto-PLD) at different temperatures. The depositions were carried out under high vacuum with a femtosecond-pulsed laser. The focused laser beam is scanned on the surface of a rotating target consisting of the pelletized compounds. The resulting polycrystalline, opaque films were characterized by X-ray powder diffraction, infrared, Raman, and X-ray photoelectron spectroscopy, photoluminescence, SEM, and MALDI-TOF mass spectrometry measurements. The crystal structures and optical/spectroscopic results of the obtained rough films largely match those of the bulk materials.

Thermodynamics and vibrational study of hydrogenated carbon nanotubes: A DFT study

Science.gov (United States)

Khalil, Rana M. Arif; Hussain, Fayyaz; Rana, Anwar Manzoor; Imran, Muhammad

2018-02-01

Thermodynamic stability of the hydrogenated carbon nanotubes has been explored in the chemisorption limit. Statistical physics and density functional theory calculations have been used to predict hydrogen release temperatures at standard pressure in zigzag and armchair carbon nanotubes. It is found that hydrogen release temperatures decrease with increase in diameters of hydrogenated zigzag carbon nanotubes (CNTs) but opposite trend is noted in armchair CNTs at standard pressure of 1 bar. The smaller diameter hydrogenated zigzag CNTs have large values of hydrogen release temperature due to the stability of Csbnd H bonds. The vibrational density of states for hydrogenated carbon nanotubes have been calculated to confirm the Csbnd H stretching mode caused by sp3 hybridization.

Facile fabrication of boron nitride nanosheets-amorphous carbon hybrid film for optoelectronic applications

KAUST Repository

Wan, Shanhong

2015-01-01

A novel boron nitride nanosheets (BNNSs)-amorphous carbon (a-C) hybrid film has been deposited successfully on silicon substrates by simultaneous electrochemical deposition, and showed a good integrity of this B-C-N composite film by the interfacial bonding. This synthesis can potentially provide the facile control of the B-C-N composite film for the potential optoelectronic devices. This journal is

Facile synthesis of nanorod-type graphitic carbon nitride/Fe2O3 composite with enhanced photocatalytic performance

International Nuclear Information System (INIS)

Wang, Jiangpeng; Li, Changqing; Cong, Jingkun; Liu, Ziwei; Zhang, Hanzhuo; Liang, Mei; Gao, Junkuo; Wang, Shunli; Yao, Juming

2016-01-01

Here we report a facile synthesis of nanorod-type graphitic carbon nitride/Fe 2 O 3 composite (Fe 2 O 3 -g-C 3 N 4 ) by using Fe-melamine supramolecular framework as precursor. The chemical and optical properties of the nanocomposites are well-characterized. The Fe 2 O 3 -g-C 3 N 4 nanocomposite demonstrated excellent photocatalytic activities under visible light due to the efficient utilization of sunlight and the construction of Z-scheme electron transfer pathway. The results indicated that it could be a promising approach for the preparation of efficient g-C 3 N 4 nanocomposites photocatalysts by using metal-melamine supramolecular framework as precursors. - Graphical abstract: Nanorod-type graphitic carbon nitride/Fe 2 O 3 composite (Fe 2 O 3 -g-C 3 N 4 ) was synthesized by using Fe-melamine supramolecular framework as precursor. The Fe 2 O 3 -g-C 3 N 4 nanocomposite demonstrated excellent photocatalytic activities under visible light. Display Omitted - Highlights: • Nanorod-type graphitic carbon nitride/Fe 2 O 3 composite (Fe 2 O 3 -g-C 3 N 4 ) was synthesized. • Fe 2 O 3 -g-C 3 N 4 showed strong optical absorption in the visible-light region. • The Fe 2 O 3 -g-C 3 N 4 nanocomposite demonstrated excellent photocatalytic activities.

Deposit of thin films of nitrided amorphous carbon using the laser ablation technique

International Nuclear Information System (INIS)

Rebollo, P.B.; Escobar A, L.; Camps C, E.; Haro P, E.; Camacho L, M.A.; Muhl S, S.

2000-01-01

It is reported the synthesis and characterization of thin films of amorphous carbon (a-C) nitrided, deposited by laser ablation in a nitrogen atmosphere at pressures which are from 4.5 x 10 -4 Torr until 7.5 x 10 -2 Torr. The structural properties of the films are studied by Raman spectroscopy obtaining similar spectra at the reported for carbon films type diamond. The study of behavior of the energy gap and the ratio nitrogen/carbon (N/C) in the films, shows that the energy gap is reduced when the nitrogen incorporation is increased. It is showed that the refraction index of the thin films diminish as nitrogen pressure is increased, indicating the formation of graphitic material. (Author)

Vibrational Spectroscopy of Chemical Species in Silicon and Silicon-Rich Nitride Thin Films

Directory of Open Access Journals (Sweden)

Kirill O. Bugaev

2012-01-01

Full Text Available Vibrational properties of hydrogenated silicon-rich nitride (SiN:H of various stoichiometry (0.6≤≤1.3 and hydrogenated amorphous silicon (a-Si:H films were studied using Raman spectroscopy and Fourier transform infrared spectroscopy. Furnace annealing during 5 hours in Ar ambient at 1130∘C and pulse laser annealing were applied to modify the structure of films. Surprisingly, after annealing with such high-thermal budget, according to the FTIR data, the nearly stoichiometric silicon nitride film contains hydrogen in the form of Si–H bonds. From analysis of the FTIR data of the Si–N bond vibrations, one can conclude that silicon nitride is partly crystallized. According to the Raman data a-Si:H films with hydrogen concentration 15% and lower contain mainly Si–H chemical species, and films with hydrogen concentration 30–35% contain mainly Si–H2 chemical species. Nanosecond pulse laser treatments lead to crystallization of the films and its dehydrogenization.

Carbon material for hydrogen storage

Science.gov (United States)

Bourlinos, Athanasios; Steriotis, Theodore; Stubos, Athanasios; Miller, Michael A

2016-09-13

The present invention relates to carbon based materials that are employed for hydrogen storage applications. The material may be described as the pyrolysis product of a molecular precursor such as a cyclic quinone compound. The pyrolysis product may then be combined with selected transition metal atoms which may be in nanoparticulate form, where the metals may be dispersed on the material surface. Such product may then provide for the reversible storage of hydrogen. The metallic nanoparticles may also be combined with a second metal as an alloy to further improve hydrogen storage performance.

Hydrogenation of carbon monoxide over supported palladium catalysts

Energy Technology Data Exchange (ETDEWEB)

Fujimoto, K.; Hashimoto, H.; Kunugi, T.

1978-03-01

An alumina-supported 2% palladium catalyst had higher activity for carbon monoxide hydrogenation than a silica-supported 2% palladium catalyst, at 250/sup 0/-400/sup 0/C and 1 atm. The addition of lanthanum oxide or thorium oxide, but not of potassium oxide, to the silica-supported catalyst increased the conversion at 350/sup 0/C from 1.1% to 81.0% with a selectivity of 56.1% for methane, 1.4% for C/sub 2/ compounds, 0.1% for C/sub 3/ compounds, and 42.5% for carbon dioxide. Temperature-programed desorption of carbon monoxide in a hydrogen stream showed that of two desorption peaks observed for carbon monoxide, the one at higher temperature corresponded to the carbon monoxide species which hydrogenates to methane and that the area of this peak increased with increasing thorium content of the catalyst. Graphs, tables, and 12 references.

Nickel foam/polyaniline-based carbon/palladium composite electrodes for hydrogen storage

International Nuclear Information System (INIS)

Skowronski, Jan M.; Urbaniak, Jan

2008-01-01

The sandwich-like nickel/palladium/carbon electrodes exhibiting ability to absorb hydrogen in alkaline solution are presented. Electrodes were prepared by successive deposition of palladium and polyaniline layers on nickel foam substrate followed by heat treatment to give Ni/Pd/C electrode. It was shown that thermal conversion of polymer into carbon layer and subsequent thermal activation of carbon component bring about the modification of the mechanism of reversible hydrogen sorption. It was proven that carbon layer, interacting with Pd catalyst, plays a considerable role in the process of hydrogen storage. In the other series of experiments, Pd particles were dispersed electrochemically on carbon coating leading to Ni/C/Pd system. The adding of the next carbon layer resulted in Ni/C/Pd/C electrodes. Electrochemical properties of the electrodes depend on both the sequence of Pd and C layers and the preparation/activation of carbon coating. Electrochemical behavior of sandwich-like electrodes in the reaction of hydrogen sorption/desorption was characterized in 6 M KOH using the cyclic voltammetry method and the results obtained were compared to those for Ni/Pd electrode. The anodic desorption of hydrogen from electrodes free and containing carbon layer was considered after the potentiodynamic as well as potentiostatic sorption of hydrogen. The influence of the sorption potential and the time of rest of electrodes at a cut-off circuit on the kinetics of hydrogen recovery were examined. The results obtained for Ni/Pd/C electrodes indicate that the displacement of hydrogen between C and Pd phase takes place during the rest at a cut-off circuit. Electrodes containing carbon layer require longer time for hydrogen electrosorption. On the other hand, the presence of carbon layer in electrodes is advantageous because a considerable longer retention of hydrogen is possible, as compared to Pd/Ni electrode. Hydrogen stored in sandwich-like electrodes can instantly be

A study on hydrogen storage through adsorption in nano-structured carbons; Etude du stockage d'hydrogene par adsorption dans des carbones nanostructures

Energy Technology Data Exchange (ETDEWEB)

Langohr, D

2004-10-15

The aim of this work is to build and calibrate an experimental set-up for the testing of the materials, to produce some carbon materials in large amounts and characterise them, and finally, to test these materials in their ability to store hydrogen. This will help in establishing a link between the hydrogen storage capacities of the carbons and their nano-structure. The script is divided into four chapters. The first chapter will deal with the literature review on the thematic of hydrogen storage through adsorption in the carbon materials, while the second chapter will present the experimental set-up elaborated in the laboratory. The third chapter explains the processes used to produce the two families of carbon materials and finally, the last chapter presents the structural characterisation of the samples as well as the experimental results of hydrogen storage on the materials elaborated. (author)

Decoration of carbon nano surfaces with hydrogen and hydrogen rich molecules

International Nuclear Information System (INIS)

Zöttl, S.

2013-01-01

The use of helium nano droplets as a matrix to investigate different atomic and molecular samples is a well established experimental technique. The unique properties of helium allow for different analytical methods and at the same time provide a stable ambient temperature. Cluster growth inside helium nano droplets can be accomplished by repeatedly doping the droplets with sample particles in a controlled environment. The experimental work represented in this thesis was performed using helium nano droplets to create clusters of fullerenes like C 60 and C 70 . The adsorption properties of these fullerene clusters regarding hydrogen and hydrogen rich molecules have been subject to investigation. The observed results suggest that curved carbon nano surfaces offer higher storage densities than planar graphite surfaces. The use of C 60 as a model carbon nano structure provides a well understood molecule for testing and evaluating computational methods to calculate surface properties of various carbon nano materials. The cost effective storage of hydrogen for mobile applications plays a key role in the development of alternatives to fossil fuels. For that reason, the application of carbon nano materials to store hydrogen by adsorption has attracted much scientific attention lately. The insights gained in the presented thesis contribute to the collective efforts and deliver more refined tools to estimate the adsorption properties of future carbon nano materials. In addition to the aforementioned, a time-of-flight mass spectrometer for educational purpose has been designed and constructed in the framework of my PhD thesis. The instrument is successfully used in various lab courses and information on the setup can be found in the Appendix of this work. (author) [de

Deposition of thin layers of boron nitrides and hydrogenated microcrystalline silicon assisted by high current direct current arc plasma; Deposition assistee par un plasma a arc a haut courant continu de couches minces de Nitrure de Bore et de Silicium microcristallin hydrogene

Energy Technology Data Exchange (ETDEWEB)

Franz, D. [Ecole Polytechnique Federale de Lausanne, Centre de Recherches en Physique des Plasmas (CRPP), CH-1015 Lausanne (Switzerland)

1999-09-01

In the frame of this thesis, a high current direct current arc (HCDCA) used for the industrial deposition of diamond, has been adapted to study the deposition of two types of coatings: a) boron nitride, whose cubic phase is similar to diamond, for tribological applications, b) hydrogenated microcrystalline silicon, for applications in the semiconductor fields (flat panel displays, solar cells,...). For the deposition of these coatings, the substrates were placed in the diffusion region of the arc. The substrate heating is mainly due to atomic species recombining on its surface. The deposition temperature, varying from 300 to 900 {sup o}C according to the films deposited, is determined by the substrate position, the arc power and the injected gas fluxes, without the use of any external heating or cooling system. Measurements performed on the arc plasma show that the electronic temperature is around 2 eV (23'000 K) while the gas temperature is lower than 5500 K. Typical electronic densities are in the range of 10{sup 12}-10{sup 1'}3 cm{sup -3}. For the deposition of boron nitride films, different boron precursors were used and a wide parameter range was investigated. The extreme difficulty of synthesising cubic boron nitride films by chemical vapour deposition (CVD) did not allow to stabilize the cubic phase of boron nitride in HCDCA. Coatings resulted in hexagonal or amorphous boron nitride with a chemical composition close to stoichiometric. The presence of hydrogen leads to the deposition of rough and porous films. Negative biasing of the samples, for positive ion bombardment, is commonly used to stabilize the cubic phase. In HCDCA and in our biasing range, only a densification of the films could be observed. A boron nitride deposition plasma study by infrared absorption spectroscopy in a capacitive radio frequency reactor has demonstrated the usefulness of this diagnostic for the understanding of the various chemical reactions which occur in this kind

Effect of Nitridation Time on the Surface Hardness of Medium Carbon Steels (AISI 1045)

International Nuclear Information System (INIS)

Setyo Atmojo; Tjipto Sujitno; Sukidi

2003-01-01

It has been investigated the effect of nitridation time on the surface hardness of medium carbon steels (AISI 1045). Parameters determining to the results were flow rate of the nitrogen gas, temperature and time. In this experiments, sample having diameter of 15 mm, thick 2 mm placed in tube of glass with diameter 35 mm heated 550 o C, flow rate and temperature were kept constants, 100 cc/minutes and 550 o C respectively, while the time were varied from 5, 10, 20 and 30 hours. It was found, that for the nitridation time of 5, 10, 20, and 30 hours, the surface hardness increased from 145 VHN to, 23.7, 296.8, 382.4 and 426.1 VHN, respectively. (author)

Substrate temperature influence on the trombogenicity in amorphous carbon nitride thin coatings

Energy Technology Data Exchange (ETDEWEB)

Galeano-Osorio, D.S.; Vargas, S.; Lopez-Cordoba, L.M.; Ospina, R. [Laboratorio de Fisica del Plasma, Universidad Nacional de Colombia Sede Manizales, Km. 9 via al Magdalena, Manizales (Colombia); Restrepo-Parra, E., E-mail: erestrepopa@unal.edu.co [Laboratorio de Fisica del Plasma, Universidad Nacional de Colombia Sede Manizales, Km. 9 via al Magdalena, Manizales (Colombia); Arango, P.J. [Laboratorio de Fisica del Plasma, Universidad Nacional de Colombia Sede Manizales, Km. 9 via al Magdalena, Manizales (Colombia)

2010-10-01

Carbon nitride thin films were obtained through plasma assisted physical vapor deposition technique by pulsed arc, varying the substrate temperature and investigating the influence of this parameter on the films hemocompatibility. For obtaining approaches of blood compatibility, environmental scanning electron microscopy (ESEM) was used in order to study the platelets adherence and their morphology. Moreover, the elemental chemical composition was determined by using energy dispersive spectroscopy (EDS), finding C, N and O. The coatings hemocompatibility was evaluated by in vitro thrombogenicity test, whose results were correlated with the microstructure and roughness of the films obtained. During the films growth process, the substrate temperature was varied, obtaining coatings under different temperatures, room temperature (T{sub room}), 100 deg. C, 150 deg. C and 200 deg. C. Parameters as interelectrodic distance, voltage, work pressure and number of discharges, were remained constant. By EDS, carbon and nitrogen were found in the films. Visible Raman spectroscopy was used, and it revealed an amorphous lattice, with graphitic process as the substrate temperature was increased. However, at a critical temperature of 150 deg. C, this tendency was broken, and the film became more amorphous. This film showed the lowest roughness, 2 {+-} 1 nm. This last characteristic favored the films hemocompatibility. Also, it was demonstrated that the blood compatibility of carbon nitride films obtained were affected by the I{sub D}/I{sub G} or sp{sup 3}/sp{sup 2} ratio and not by the absolute sp{sup 3} or sp{sup 2} concentration.

Rapid synthesis of graphitic carbon nitride powders by metathesis reaction between CaCN2 and C2Cl6

International Nuclear Information System (INIS)

Pang Linlin; Bi Jianqiang; Bai Yujun; Qi Yongxin; Zhu Huiling; Wang Chengguo; Wu Jiwei; Lu Chengwei

2008-01-01

Carbon nitride powders were rapidly synthesized at low temperature via the chemical metathesis reaction between CaCN 2 and C 2 Cl 6 . X-ray diffraction results confirm the formation of crystalline graphitic carbon nitride. Besides the dominant morphology of nanoparticles, flakes, nanorods, hollow and solid spheres can be observed by transmission electron microscopy. The absorption peaks of C-N, C=N and s-triazine rings, as well as the absence of C≡N peak in the infrared spectra, further verify the formation of graphite-like sp 2 -bonded structure with planar networks. Elemental analysis gives an atomic ratio of N/C around 0.3. X-ray photoelectron spectra exhibit the existence of chemical bonding between C and N

Modification of single wall carbon nanotubes (SWNT) for hydrogen storage

Energy Technology Data Exchange (ETDEWEB)

Rashidi, A.M.; Nouralishahi, A.; Karimi, A.; Kashefi, K. [Nanotechnology Research Center, Research Institute of petroleum industry (RIPI), Tehran (Iran); Khodadadi, A.A.; Mortazavi, Y. [Chemical engineering Department, University of Tehran, Tehran (Iran)

2010-09-15

Due to unique structural, mechanical and electrical properties of single wall carbon nanotubes, SWNTs, they have been proposed as promising hydrogen storage materials especially in automotive industries. This research deals with investing of CNT's and some activated carbons hydrogen storage capacity. The CNT's were prepared through natural gas decomposition at a temperature of 900 C over cobalt-molybdenum nanoparticles supported by nanoporous magnesium oxide (Co-Mo/MgO) during a chemical vapor deposition (CVD) process. The effects of purity of CNT (80-95%wt.) on hydrogen storage were investigated here. The results showed an improvement in the hydrogen adsorption capacity with increasing the purity of CNT's. Maximum adsorption capacity was 0.8%wt. in case of CNT's with 95% purity and it may be raised up with some purification to 1%wt. which was far less than the target specified by DOE (6.5%wt.). Also some activated carbons were manufactured and the results compared to CNTs. There were no considerable H{sub 2}-storage for carbon nanotubes and activated carbons at room-temperature due to insufficient binding between H{sub 2} molecules carbon nanostructures. Therefore, hydrogen must be adsorbed via interaction of atomic hydrogen with the storage environment in order to achieve DOE target, because the H atoms have a very stronger interaction with carbon nanostructures. (author)

Hydrogen evolution by a metal-free electrocatalyst

KAUST Repository

Zheng, Yao

2014-04-28

Electrocatalytic reduction of water to molecular hydrogen via the hydrogen evolution reaction may provide a sustainable energy supply for the future, but its commercial application is hampered by the use of precious platinum catalysts. All alternatives to platinum thus far are based on nonprecious metals, and, to our knowledge, there is no report about a catalyst for electrocatalytic hydrogen evolution beyond metals. Here we couple graphitic-carbon nitride with nitrogen-doped graphene to produce a metal-free hybrid catalyst, which shows an unexpected hydrogen evolution reaction activity with comparable overpotential and Tafel slope to some of well-developed metallic catalysts. Experimental observations in combination with density functional theory calculations reveal that its unusual electrocatalytic properties originate from an intrinsic chemical and electronic coupling that synergistically promotes the proton adsorption and reduction kinetics. © 2014 Macmillan Publishers Limited. All rights reserved.

Permeability of two-dimensional graphene and hexagonal-boron nitride to hydrogen atom

Science.gov (United States)

Gupta, Varun; Kumar, Ankit; Ray, Nirat

2018-05-01

The permeability of atomic hydrogen in monolayer hexagonal Boron Nitride(h-BN) and graphene has been studied using first-principles density functional theory based simulations. For the specific cases of physisorption and chemisoroption, barrier heights are calculated using the nudged elastic band approach. We find that the barrier potential for physisorption through the ring is lower for graphene than h-BN. In the case of chemisorption, where the H atom passes through by making bonds with the atoms in the ring, the barrier potential for the graphene was found to be higher than that of h-BN. We conclude that the penetration of H atom with notable kinetic energy (graphene as compared to h-BN. Whereas through chemisorption, lower kinetic energy (>3eV) H-atoms have a higher chance to penetrate through h-BN than graphene.

Carbon compound used in hydrogen storage; Compuesto de carbon utilizado en almacenamiento de hidrogeno

Energy Technology Data Exchange (ETDEWEB)

Iturbe G, J L; Lopez M, B E [ININ, 52045 Ocoyoacac, Estado de Mexico (Mexico)

2004-07-01

In the present work it is studied the activated carbon of mineral origin for the sorption of hydrogen. The carbon decreased of particle size by means of the one alloyed mechanical. The time of mill was of 10 hours. The characterization one carries out by scanning electron microscopy and X-ray diffraction. The hydrogen sipped in the carbon material it was determined using the Thermal gravimetric method (TGA). The conditions of hydrogenation went at 10 atm of pressure and ambient temperature during 18 hours. They were also carried out absorption/desorption cycles of hydrogen in the same one system of thermal gravimetric analysis. The results showed percentages of sorption of 2% approximately in the cycles carried out in the system TGA and of 4.5% in weight of hydrogen at pressure of 10 atmospheres and ambient temperature during 18 hours. (Author)

Sequestration of carbon dioxide with hydrogen to useful products

Energy Technology Data Exchange (ETDEWEB)

Adams, Michael W. W.; Kelly, Robert M.; Hawkins, Aaron B.; Menon, Angeli Lal; Lipscomb, Gina Lynette Pries; Schut, Gerrit Jan

2017-03-07

Provided herein are genetically engineered microbes that include at least a portion of a carbon fixation pathway, and in one embodiment, use molecular hydrogen to drive carbon dioxide fixation. In one embodiment, the genetically engineered microbe is modified to convert acetyl CoA, molecular hydrogen, and carbon dioxide to 3-hydroxypropionate, 4-hydroxybutyrate, acetyl CoA, or the combination thereof at levels greater than a control microbe. Other products may also be produced. Also provided herein are cell free compositions that convert acetyl CoA, molecular hydrogen, and carbon dioxide to 3-hydroxypropionate, 4-hydroxybutyrate, acetyl CoA, or the combination thereof. Also provided herein are methods of using the genetically engineered microbes and the cell free compositions.

Dipolar polarization and piezoelectricity of a hexagonal boron nitride sheet decorated with hydrogen and fluorine.

Science.gov (United States)

Noor-A-Alam, Mohammad; Kim, Hye Jung; Shin, Young-Han

2014-04-14

In contrast to graphene, a hexagonal boron nitride (h-BN) monolayer is piezoelectric because it is non-centrosymmetric. However, h-BN shows neither in-plane nor out-of-plane dipole moments due to its three-fold symmetry on the plane and the fact that it is completely flat. Here, we show that the controlled adsorption of hydrogen and/or fluorine atoms on both sides of a pristine h-BN sheet induces flatness distortion in a chair form and an out-of plane dipole moment. In contrast, a boat form has no out-of-plane dipole moment due to the alternating boron and nitrogen positions normal to the plane. Consequently, the chair form of surface-modified h-BN shows both in-plane and out-of-plane piezoelectric responses; while pristine h-BN and the boat form of decorated h-BN have only in-plane piezoelectric responses. These in-plane and out-of-plane piezoelectric responses of the modified h-BN are comparable to those in known three-dimensional piezoelectric materials. Such an engineered piezoelectric two-dimensional boron nitride monolayer can be a candidate material for various nano-electromechanical applications.

Spatially selective hydrogen irradiation of dilute nitride semiconductors: a brief review

Science.gov (United States)

Felici, Marco; Pettinari, Giorgio; Biccari, Francesco; Capizzi, Mario; Polimeni, Antonio

2018-05-01

We provide a brief survey of the most recent results obtained by performing spatially selective hydrogen irradiation of dilute nitride semiconductors. The striking effects of the formation of stable N–H complexes in these compounds—coupled to the ultrasharp diffusion profile of H therein—can be exploited to tailor the structural (lattice constant) and optoelectronic (energy gap, refractive index, electron effective mass) properties of the material in the growth plane, with a spatial resolution of a few nm. This can be applied to the fabrication of site-controlled quantum dots (QDs) and wires, but also to the realization of the optical elements required for the on-chip manipulation and routing of qubits in fully integrated photonic circuits. The fabricated QDs—which have shown the ability to emit single photons—can also be deterministically coupled with photonic crystal microcavities, proving their inherent suitability to act as integrated light sources in complex nanophotonic devices.

The Influence Of Nitridation Temperature And Time On The Surface Hardness Of AISI 1010 Low Carbon Steels Nitrided By Means Of Plasma Glow Discharge Technique

International Nuclear Information System (INIS)

Sujitno, Tjipto; Mujiman, Supardjono

1996-01-01

The results of the influence of nitridation temperature and time on the surface hardness of AISI 1010 low carbon steels nitrided by means of plasma glow discharge technique are presented in this paper. The results are the changing of surface hardiness, the changing of surface microstructure and the penetration profile depth. The experiment has been carried out at the temperature 400 o C, 450 o C, 500 o C, 550 o C, 570 o C and 600 o C, whereas the time is 5 minutes, 15 minutes, 40 minutes, 90 minutes and 180 minutes. All the experiments have been carried out at the optimum plasma density condition. The optimum plasma density condition is achieved at the pressure of p = 0.2 torr, when thr gas flow of nitrogen is 0.6 liter/minute and the distance of electrode plate is 4.5 cm. It was found that the optimum hardness of the surface was achieved at the temperature of 570 o C and the time of nitridation was 90 minutes, i.e. 190 KHN

Kinetic modelling of chlorination of nitrided ilmenite using MATLAB

Energy Technology Data Exchange (ETDEWEB)

Ramakrishnan, Sivakumar, E-mail: srsivakumar@usm.my; Kwok, Teong Chen, E-mail: ctck@live.com; Hamid, Sheikh Abdul Rezan Sheikh Abdul, E-mail: rezanshk@gmail.com [School of Materials and Mineral Resources Engineering, Universiti Sains Malaysia, 14300, Nibong Tebal, Penang (Malaysia)

2016-07-19

In the present study, chlorination of nitride ilmenite using 2{sup k} factorial design was investigated. The reduction experiments were carried out in a temperature range of 400°C to 500°C, chlorination duration from 1 hour to 3 hours and using different type of carbon reactant. Phases of raw materials and reduced samples were analyzed by X-ray diffraction (XRD). Ilmenite was reduced to TiO{sub x}C{sub y}N{sub z} through carbothermal and nitridation for further chlorination into titanium tetrachloride. The Design of Experiment analysis suggested that the types of carbon reactant contribute most influence to the extent of chlorination of nitride ilmenite. The extent of chlorination was highest at 500°C with 3 hours chlorination time and carbon nanotube as carbon reactant.

Solar hydrogen hybrid system with carbon storage

International Nuclear Information System (INIS)

Zini, G.; Marazzi, R.; Pedrazzi, S.; Tartarini, P.

2009-01-01

A complete solar hydrogen hybrid system has been developed to convert, store and use energy from renewable energy sources. The theoretical model has been implemented in a dynamic model-based software environment and applied to real data to simulate its functioning over a one-year period. Results are used to study system design and performance. A photovoltaic sub-system directly drives a residential load and, if a surplus of energy is available, an electrolyzer to produce hydrogen which is stored in a cluster of nitrogen-cooled tanks filled with AX-21 activated carbons. When the power converted from the sun is not sufficient to cover load needs, hydrogen is desorbed from activated carbon tanks and sent to the fuel-cell sub-system so to obtain electrical energy. A set of sub-systems (bus-bar, buck- and boost-converters, inverter, control circuits), handle the electrical power according to a Programmable Logic Control unit so that the load can be driven with adequate Quality of Service. Hydrogen storage is achieved through physisorption (weak van der Waals interactions) between carbon atoms and hydrogen molecules occurring at low temperature (77 K) in carbon porous solids at relatively low pressures. Storage modeling has been developed using a Langmuir-Freundlich 1st type isotherm and experimental data available in literature. Physisorption storage provides safer operations along with good gravimetric (10.8% at 6 MPa) and volumetric (32.5 g/l at 6 MPa) storage capacities at costs that can be comparable to, or smaller than, ordinary storage techniques (compression or liquefaction). Several test runs have been performed on residential user data-sets: the system is capable of providing grid independence and can be designed to yield a surplus production of hydrogen which can be used to recharge electric car batteries or fill tanks for non-stationary uses. (author)

Hydrogenation of surface carbon on alumina-supported nickel

Energy Technology Data Exchange (ETDEWEB)

Mccarthy, J.G.; Wise, H.

1979-05-01

The methanation of carbon deposited by CO or ethylene decomposition on Girdler G-65 catalyst (25Vertical Bar3< nickel, 8Vertical Bar3< alkali, mostly CaO, 4Vertical Bar3< C as graphite, on alumina) was studied by temperature-programed desorption and temperature-programed surface reaction. Four types of carbon were identified: ..cap alpha..-carbon consisted of isolated carbon atoms bonded to nickel and reacting with hydrogen at 470/sup 0/ +/- 20/sup 0/K; ..gamma..-carbon was probably a bulk carbide, most likely Ni/sub 3/C, which had a reaction peak at 550/sup 0/K; ..beta..-carbon consisted of amorphous, polymerized carbon, which had a reaction peak at 680/sup 0/K; and an unreactive crystalline graphite-like species. The ..cap alpha..-form was thermally unstable and transformed into the ..beta..-form above 600/sup 0/K. Both ..cap alpha..- and ..beta..-forms slowly converted to inert graphite above 600/sup 0/K. The evidence suggested that synthesis gas methanation proceeds by dissociative adsorption of CO as the rate-determining step which forms a very reactive carbon adatom state (..cap alpha..') which converts to the ..cap alpha..-state in the absence of hydrogen and to methane in the presence of hydrogen.

Hydrogen storage in carbon nano-tubes; Stockage d'hydrogene dans les nanotubes de carbone

Energy Technology Data Exchange (ETDEWEB)

Becher, M.; Haluska, M.; Hirscher, M. [Max-Planck-Institut fuer Metallforschung, Stuttgart (Germany); Quintel, A.; Skakalova, V.; Dettlaff-Weglikovska, U.; Chen, X.; Hulman, M.; Choi, Y.; Roth, S.; Meregalli, V.; Parrinello, M. [Max-Planck-Institut fuer Festkoerperforschung, Stuttgart (Germany); Strobel, R.; Jorissen, L. [Zentrum fur Sonnenenergie und Wasserstoff-Forschung, Ulm (Germany); Kappes, M.M. [Karlsruhe Univ., Institut fur Physikalische Chemie(Germany); Fink, J. [Institut fur Festkorper-Und Werkstoffforschun, Dresden (Germany); Zuttel, A. [Fribourg Univ., Dept. Physique (Switzerland); Stepanek, I.; Bernier, P. [Montpellier-2 Univ., GDPC, 34 (France)

2003-11-01

Hydrogen storage in new nano-structured carbonic materials is a topic for lively discussion. The measured storage capacities of these materials, which have been announced in the literature during the last ten years are spread over an enormous range from about 0.1 wt% up to 67 wt%. This paper will give a report on the state of the art of hydrogen storage in carbon nano-structures. We shall critically review the recent 'key publications' on this topic, which claim storage capacities clearly above the technological bench mark set by the US Department of Energy, and we shall report new results which have been obtained in a joint project sponsored by the Federal Ministry for Education and Research in Germany (BMBF). (authors)

Hydrogen storage on carbon materials: state of the art

International Nuclear Information System (INIS)

D Cazorla Amoros; D Lozano Castello; F Suarez Garcia; M Jorda Beneytoa; A Linares Solano

2005-01-01

Full text of publication follows: From an economic point of view, the use of hydrogen could revolutionize energy and transportation markets, what generates a great interest towards this fuel. This interest has led to the so-called 'hydrogen economy'. However, the main drawback for the use of hydrogen as transportation fuel or in power generation is the storage of this gas to reach a sufficiently high energy density, which could fit to the goals of the DOE hydrogen plan to automotive fuel cell systems i.e. 62 kg H 2 /m 3 ). [1] A review of both experimental and theoretical studies published on the field of hydrogen storage on carbon materials (nano-tubes, nano-fibers and porous carbons) shows a large dispersion in hydrogen storage values. Although some values have exceeded by far the goals of the DOE [2], other authors assure that it is not feasible the use of carbonaceous materials as hydrogen storage systems [3]. The first objective of this presentation is to analyze some possible reasons of the large values dispersion. The discrepancy among the different theoretical studies can be due to non-realist models or to unsuitable approaches. High results dispersion and low reproducibility of experimental measurements are mostly consequence of experimental errors (as for example, the use of small amount of sample) and/or to the use of non-purified materials. In fact, the main disadvantage of the use of novel carbon materials, such as nano-tubes and nano-fibers, is the unavailability of large amounts of those materials with sufficient purity in order to get both feasible measurements in the laboratory, an their subsequent use in large scale. In addition to these possible reasons of errors, for a better understanding of the large results dispersion, the different mechanism of hydrogen storage, such as hydride formation, hydrogen transfer and hydrogen adsorption will be also reviewed in this presentation. Differently to nano-tubes and nano-fibers, activated carbons are

Hydrogen effects in hydrofluorocarbon plasma etching of silicon nitride: Beam study with CF{sup +}, CF{sub 2}{sup +}, CHF{sub 2}{sup +}, and CH{sub 2}F{sup +} ions

Energy Technology Data Exchange (ETDEWEB)

Ito, Tomoko; Karahashi, Kazuhiro; Fukasawa, Masanaga; Tatsumi, Tetsuya; Hamaguchi, Satoshi [Center for Atomic and Molecular Technologies, Osaka University, Osaka 565-0871 (Japan); Semiconductor Technology Development Division, SBG, CPDG, Sony Corporation, Atsugi, Kanagawa 243-0014 (Japan); Center for Atomic and Molecular Technologies, Osaka University, Osaka 565-0871 (Japan)

2011-09-15

Hydrogen in hydrofluorocarbon plasmas plays an important role in silicon nitride (Si{sub 3}N{sub 4}) reactive ion etching. This study focuses on the elementary reactions of energetic CHF{sub 2}{sup +} and CH{sub 2}F{sup +} ions with Si{sub 3}N{sub 4} surfaces. In the experiments, Si{sub 3}N{sub 4} surfaces were irradiated by monoenergetic (500-1500 eV) beams of CHF{sub 2}{sup +} and CH{sub 2}F{sup +} ions as well as hydrogen-free CF{sub 2}{sup +} and CF{sup +} ions generated by a mass-selected ion beam system and their etching yields and surface properties were examined. It has been found that, when etching takes place, the etching rates of Si{sub 3}N{sub 4} by hydrofluorocarbon ions, i.e., CHF{sub 2}{sup +} and CH{sub 2}F{sup +}, are higher than those by the corresponding fluorocarbon ions, i.e., CF{sub 2}{sup +} and CF{sup +}, respectively. When carbon film deposition takes place, it has been found that hydrogen of incident hydrofluorocarbon ions tends to scavenge fluorine of the deposited film, reducing its fluorine content.

A study on hydrogen storage through adsorption in nano-structured carbons; Etude du stockage d'hydrogene par adsorption dans des carbones nanostructures

Energy Technology Data Exchange (ETDEWEB)

Langohr, D

2004-10-15

The aim of this work is to build and calibrate an experimental set-up for the testing of the materials, to produce some carbon materials in large amounts and characterise them, and finally, to test these materials in their ability to store hydrogen. This will help in establishing a link between the hydrogen storage capacities of the carbons and their nano-structure. The script is divided into four chapters. The first chapter will deal with the literature review on the thematic of hydrogen storage through adsorption in the carbon materials, while the second chapter will present the experimental set-up elaborated in the laboratory. The third chapter explains the processes used to produce the two families of carbon materials and finally, the last chapter presents the structural characterisation of the samples as well as the experimental results of hydrogen storage on the materials elaborated. (author)

A phototactic micromotor based on platinum nanoparticle decorated carbon nitride.

Science.gov (United States)

Ye, Zhenrong; Sun, Yunyu; Zhang, Hui; Song, Bo; Dong, Bin

2017-11-30

In this paper, we report a unique phototactic (both positive and negative) micromotor based on platinum nanoparticle decorated carbon nitride. The phototaxis relies on the self-diffusiophoretic mechanism and different surface modifications. The micromotor reported in the current study does not require the addition of any external fuels and shows versatile motion behaviour, i.e. start, stop, directional and programmable motion, which is controlled by light. In addition, since the actuation of the precipitated micromotors at the bottom of a solution using light results in the opacity changes from transparent to translucent, we anticipate that the current micromotor may have potential application in the field of smart windows.

Hydrogen storage in engineered carbon nanospaces.

Science.gov (United States)

Burress, Jacob; Kraus, Michael; Beckner, Matt; Cepel, Raina; Suppes, Galen; Wexler, Carlos; Pfeifer, Peter

2009-05-20

It is shown how appropriately engineered nanoporous carbons provide materials for reversible hydrogen storage, based on physisorption, with exceptional storage capacities (approximately 80 g H2/kg carbon, approximately 50 g H2/liter carbon, at 50 bar and 77 K). Nanopores generate high storage capacities (a) by having high surface area to volume ratios, and (b) by hosting deep potential wells through overlapping substrate potentials from opposite pore walls, giving rise to a binding energy nearly twice the binding energy in wide pores. Experimental case studies are presented with surface areas as high as 3100 m(2) g(-1), in which 40% of all surface sites reside in pores of width approximately 0.7 nm and binding energy approximately 9 kJ mol(-1), and 60% of sites in pores of width>1.0 nm and binding energy approximately 5 kJ mol(-1). The findings, including the prevalence of just two distinct binding energies, are in excellent agreement with results from molecular dynamics simulations. It is also shown, from statistical mechanical models, that one can experimentally distinguish between the situation in which molecules do (mobile adsorption) and do not (localized adsorption) move parallel to the surface, how such lateral dynamics affects the hydrogen storage capacity, and how the two situations are controlled by the vibrational frequencies of adsorbed hydrogen molecules parallel and perpendicular to the surface: in the samples presented, adsorption is mobile at 293 K, and localized at 77 K. These findings make a strong case for it being possible to significantly increase hydrogen storage capacities in nanoporous carbons by suitable engineering of the nanopore space.

Determination of contents of carbonate and hydrogen carbonate in solutions for alkaline leading of uranium ores

International Nuclear Information System (INIS)

Radil, V.

1988-01-01

The new analytical method is based on the determination of the molar ratio carbonate - hydrogen carbonate using the measured concentration of hydrogen ions, the determination of the dissociation constant of carbonic acid for different values of ionic strength. The concentration of hydrogen ions was measured with a Metrohm 632 pH meter with the use of a combined glass electrode. The content of total carbonate carbon was determined coulometrically and the uranium content was determined by extraction with tributyl phosphate and by spectrometry of the complex of uranyl ions with Arsenazo III. Model solutions were used for the experiments which contained a high concentration of sulfate ions, thiosulfate ions, uranium and various proportions of carbonate and hydrogen carbonate. The composition of the individual samples of the extraction solutions are tabulated. The calibration was made of the glass combined electrode at different ionic strength, the values determined of dissociation constants of carbonic acid for different ionic strength. The mathematical procedure is described for the calculation of molar concentrations of carbonate and hudrogen carbonate and the results are presented of the analysis of model solutions. (E.S.). 5 tabs., 1 fig., 5 refs

Methanation of hydrogen and carbon dioxide

International Nuclear Information System (INIS)

Burkhardt, Marko; Busch, Günter

2013-01-01

Highlights: • The biologic methanation of exclusively gases like hydrogen and carbon dioxide is feasible. • Electrical energy can be stored in the established gas grid by conversion to methane. • The quality of produced biogas is very high (c CH4 = 98 vol%). • The conversion rate is depending on H 2 -flow rate. - Abstract: A new method for the methanation of hydrogen and carbon dioxide is presented. In a novel anaerobic trickle-bed reactor, biochemical catalyzed methanation at mesophilic temperatures and ambient pressure can be realized. The conversion of gaseous substrates by immobilized hydrogenotrophic methanogens is a unique feature of this reactor type. The already patented reactor produces biogas which has a very high quality (c CH4 = 97.9 vol%). Therefore, the storage of biogas in the existing natural gas grid is possible without extensive purification. The specific methane production was measured with P = 1.17 Nm CH4 3 /(m R 3 d). It is conceivable to realize the process at sites that generate solar or wind energy and sites subject to the conditions for hydrogen electrolysis (or other methods of hydrogen production). The combination with conventional biogas plants under hydrogen addition to methane enrichment is possible as well. The process enables the coupling of various renewable energy sources

Hydrogen storage on carbon materials: state of the art

International Nuclear Information System (INIS)

Cazorla-Amoros, D.; Lozano-Castello, D.; Suarez-Garcia, F.; Jorda-Beneyto, M.; Linares-Solano, A.

2005-01-01

Complete text of publication follows: From an economic point of view, the use of hydrogen could revolutionize energy and transportation markets, what generates a great interest towards this fuel. This interest has led to the so-called 'hydrogen economy'. However, the main drawback for the use of hydrogen as transportation fuel or in power generation is the storage of this gas to reach a sufficiently high energy density, which could fit to the goals of the DOE hydrogen plan to automotive fuel cell systems i.e. 62 kg H 2 /m 3 ) [1]. A review of both experimental and theoretical studies published on the field of hydrogen storage on carbon materials (nano-tubes, nano-fibers and porous cartons) shows a large dispersion in hydrogen storage values. Although some values have exceeded by far the goals of the DOE [2], other authors assure that it is not feasible the use of carbonaceous materials as hydrogen storage systems [3]. The first objective of this presentation is to analyze some possible reasons of the large values dispersion. The discrepancy among the different theoretical studies can be due to non-realist models or to unsuitable approaches. High results dispersion and low reproducibility of experimental measurements are mostly consequence of experimental errors (as for example, the use of small amount of sample) and/or to the use of non-purified materials. In fact, the main disadvantage of the use of novel carbon materials, such as nano-tubes and nano-fibers, is the unavailability of large amounts of those materials with sufficient purity in order to get both feasible measurements in the laboratory, an their subsequent use in large scale. In addition to these possible reasons of errors, for a better understanding of the large results dispersion, the different mechanism of hydrogen storage, such as hydride formation, hydrogen transfer and hydrogen adsorption will be also reviewed in this presentation. Differently to nano-tubes and nano-fibers, activated carbons are

Influence of Nitrided Layer on The Properties of Carbon Coatings Produced on X105CrMo17 Steel Under DC Glow-Discharge Conditions

Directory of Open Access Journals (Sweden)

Tomasz BOROWSKI

2016-09-01

Full Text Available In most cases, machine components, which come in contact with each other, are made of steel. Common steel types include 100Cr6 and X105CrMo17 are widely used in rolling bearings, which are subjected to high static loads. However, more and more sophisticated structural applications require increasingly better performance from steel. The most popular methods for improving the properties of steel is carburisation or nitriding. Unfortunately, when very high surface properties of steel are required, this treatment may be insufficient. Improvement of tribological properties can be achieved by increasing the hardness of the surface, reducing roughness or reducing the coefficient of friction. The formation of composite layers on steel, consisting of a hard nitride diffusion layer and an external carbon coating with a low coefficient of friction, seems to be a prospect with significant potential. The article describes composite layers produced on X105CrMo17 steel and defines their morphology, surface roughness and their functional properties such as: resistance to friction-induced wear, coefficient of friction and corrosion resistance. The layers have been formed at a temperature of 370°C in successive processes of: nitriding in low-temperature plasma followed by deposition of a carbon coating under DC glow-discharge conditions. An evaluation was also made of the impact of the nitrided layers on the properties and morphology of the carbon coatings formed by comparing them to coatings formed on non-nitrided X105CrMo17 steel substrates. A study of the surface topography, adhesion, resistance to friction-induced wear and corrosion shows the significant importance of the substrate type the carbon coatings are formed on.DOI: http://dx.doi.org/10.5755/j01.ms.22.3.7532

Alloy Effects on the Gas Nitriding Process

Science.gov (United States)

Yang, M.; Sisson, R. D.

2014-12-01

Alloy elements, such as Al, Cr, V, and Mo, have been used to improve the nitriding performance of steels. In the present work, plain carbon steel AISI 1045 and alloy steel AISI 4140 were selected to compare the nitriding effects of the alloying elements in AISI 4140. Fundamental analysis is carried out by using the "Lehrer-like" diagrams (alloy specific Lehrer diagram and nitriding potential versus nitrogen concentration diagram) and the compound layer growth model to simulate the gas nitriding process. With this method, the fundamental understanding for the alloy effect based on the thermodynamics and kinetics becomes possible. This new method paves the way for the development of new alloy for nitriding.

Improvement of orthodontic friction by coating archwire with carbon nitride film

International Nuclear Information System (INIS)

Wei Songbo; Shao Tianmin; Ding Peng

2011-01-01

In order to reduce frictional resistance between archwire and bracket during orthodontic tooth movement, carbon nitride (CNx) thin films were deposited on the surface of archwires with ion beam assisted deposition (IBAD). The energy-dispersive X-ray spectrometer (EDS) analysis showed that the CNx film was successfully deposited on the surface of the orthodontic wires. X-ray photoelectron spectroscopy (XPS) analysis suggested that the deposited CNx film was sp 2 carbon dominated structures, and diversiform bonds (N-C, N≡C, et al.) coexisted in the film. The friction tests indicated that the CNx film significantly reduced the wire-bracket friction both in ambient air and in artificial saliva. The sp 2 C rich structure of the CNx film as well as its protection function for the archwire was responsible for the low friction of the wire-bracket sliding system.

Improvement of orthodontic friction by coating archwire with carbon nitride film

Energy Technology Data Exchange (ETDEWEB)

Wei Songbo [State Key Laboratory of Tribology, Tsinghua University, Beijing 100084 (China); Shao Tianmin, E-mail: shaotm@mail.tsinghua.edu.cn [State Key Laboratory of Tribology, Tsinghua University, Beijing 100084 (China); Ding Peng [Department of Orthodontics, Peking University School and Hospital of Stomatology, Beijing 100081 (China)

2011-10-01

In order to reduce frictional resistance between archwire and bracket during orthodontic tooth movement, carbon nitride (CNx) thin films were deposited on the surface of archwires with ion beam assisted deposition (IBAD). The energy-dispersive X-ray spectrometer (EDS) analysis showed that the CNx film was successfully deposited on the surface of the orthodontic wires. X-ray photoelectron spectroscopy (XPS) analysis suggested that the deposited CNx film was sp{sup 2} carbon dominated structures, and diversiform bonds (N-C, N{identical_to}C, et al.) coexisted in the film. The friction tests indicated that the CNx film significantly reduced the wire-bracket friction both in ambient air and in artificial saliva. The sp{sup 2}C rich structure of the CNx film as well as its protection function for the archwire was responsible for the low friction of the wire-bracket sliding system.

Screen-printed carbon electrode modified on its surface with amorphous carbon nitride thin film: Electrochemical and morphological study

Energy Technology Data Exchange (ETDEWEB)

Ghamouss, F. [Universite de Nantes, UMR 6006-CNRS, FR-2465-CNRS, Laboratoire d' Analyse isotopique et Electrochimique de Metabolismes (LAIEM) (France); Tessier, P.-Y. [Universite de Nantes, UMR CNRS 6502, Institut des Materiaux Jean Rouxel - IMN Faculte des Sciences and des Techniques de Nantes, 2 rue de la Houssiniere, 44322 Nantes Cedex 3 (France); Djouadi, A. [Universite de Nantes, UMR CNRS 6502, Institut des Materiaux Jean Rouxel - IMN Faculte des Sciences and des Techniques de Nantes, 2 rue de la Houssiniere, 44322 Nantes Cedex 3 (France); Besland, M.-P. [Universite de Nantes, UMR CNRS 6502, Institut des Materiaux Jean Rouxel - IMN Faculte des Sciences and des Techniques de Nantes, 2 rue de la Houssiniere, 44322 Nantes Cedex 3 (France); Boujtita, M. [Universite de Nantes, UMR 6006-CNRS, FR-2465-CNRS, Laboratoire d' Analyse isotopique et Electrochimique de Metabolismes (LAIEM) (France)]. E-mail: mohammed.boujtita@univ-nantes.fr

2007-04-20

The surface of a screen-printed carbon electrode (SPCE) was modified by using amorphous carbon nitride (a-CN {sub x}) thin film deposited by reactive magnetron sputtering. Scanning electron microscopy and photoelectron spectroscopy measurements were used to characterise respectively the morphology and the chemical structure of the a-CN {sub x} modified electrodes. The incorporation of nitrogen in the amorphous carbon network was demonstrated by X ray photoelectron spectroscopy. The a-CN {sub x} layers were deposited on both carbon screen-printed electrode (SPCE) and silicon (Si) substrates. A comparative study showed that the nature of substrate, i.e. SPCE and Si, has a significant effect on both the surface morphology of deposited a-CN {sub x} film and their electrochemical properties. The improvement of the electrochemical reactivity of SPCE after a-CN {sub x} film deposition was highlighted both by comparing the shapes of voltammograms and calculating the apparent heterogeneous electron transfer rate constant.

Amorphous carbon enhancement of hydrogen penetration into UO2

International Nuclear Information System (INIS)

Zalkind, S.; Shamir, N.; Gouder, T.; Akhvlediani, R.; Hoffman, A.

2014-01-01

In a previous study, it was demonstrated that an amorphous carbon layer, deposited on a native oxide covered uranium surface, significantly enhances the interaction of hydrogen with the uranium metal. Fig. 1[2], demonstrates the preferential hydrogen attack (forming uranium hydride) on the carbon covered area of the naturally oxidized uranium metal

Carbide-Derived Carbons with Tunable Porosity Optimized for Hydrogen Storage

Energy Technology Data Exchange (ETDEWEB)

Fisher, John E.; Gogotsi, Yury; Yildirim, Taner

2010-01-07

On-board hydrogen storage is a key requirement for fuel cell-powered cars and trucks. Porous carbon-based materials can in principle adsorb more hydrogen per unit weight at room temperature than liquid hydrogen at -176 oC. Achieving this goal requires interconnected pores with very high internal surface area, and binding energies between hydrogen and carbon significantly enhanced relative to H2 on graphite. In this project a systematic study of carbide-derived carbons, a novel form of porous carbon, was carried out to discover a high-performance hydrogen sorption material to meet the goal. In the event we were unable to improve on the state of the art in terms of stored hydrogen per unit weight, having encountered the same fundamental limit of all porous carbons: the very weak interaction between H2 and the carbon surface. On the other hand we did discover several strategies to improve storage capacity on a volume basis, which should be applicable to other forms of porous carbon. Further discoveries with potentially broader impacts include • Proof that storage performance is not directly related to pore surface area, as had been previously claimed. Small pores (< 1.5 nm) are much more effective in storing hydrogen than larger ones, such that many materials with large total surface areas are sub-par performers. • Established that the distribution of pore sizes can be controlled during CDC synthesis, which opens the possibility of developing high performance materials within a common family while targeting widely disparate applications. Examples being actively pursued with other funding sources include methane storage, electrode materials for batteries and supercapacitors with record high specific capacitance, and perm-selective membranes which bind cytokines for control of infections and possibly hemodialysis filters.

Carbon hybridized halloysite nanotubes for high-performance hydrogen storage capacities

Science.gov (United States)

Jin, Jiao; Fu, Liangjie; Yang, Huaming; Ouyang, Jing

2015-01-01

Hybrid nanotubes of carbon and halloysite nanotubes (HNTs) with different carbon:HNTs ratio were hydrothermally synthesized from natural halloysite and sucrose. The samples display uniformly cylindrical hollow tubular structure with different morphologies. These hybrid nanotubes were concluded to be promising medium for physisorption-based hydrogen storage. The hydrogen adsorption capacity of pristine HNTs was 0.35% at 2.65 MPa and 298 K, while that of carbon coated HNTs with the pre-set carbon:HNTs ratio of 3:1 (3C-HNTs) was 0.48% under the same condition. This carbon coated method could offer a new pattern for increasing the hydrogen adsorption capacity. It was also possible to enhance the hydrogen adsorption capacity through the spillover mechanism by incorporating palladium (Pd) in the samples of HNTs (Pd-HNTs) and 3C-HNTs (Pd-3C-HNTs and 3C-Pd-HNTs are the samples with different location of Pd nanoparticles). The hydrogen adsorption capacity of the Pd-HNTs was 0.50% at 2.65 MPa and 298 K, while those of Pd-3C-HNTs and 3C-Pd-HNTs were 0.58% and 0.63%, respectively. In particular, for this spillover mechanism of Pd-carbon-HNTs ternary system, the bidirectional transmission of atomic and molecular hydrogen (3C-Pd-HNTs) was concluded to be more effective than the unidirectional transmission (Pd-3C-HNTs) in this work for the first time. PMID:26201827

Influence of activated carbon amended ASBR on anaerobic fermentative hydrogen production

DEFF Research Database (Denmark)

Xie, Li; Wang, Lei; Zhou, Qi

2013-01-01

The effect of activated carbon amended ASBR on fermentative bio-hydgrogen production from glucose was evaluated at hydraulic retention time (HRTs) ranging from 48 h to 12 h with initial pH of 6.0 at the system temperature of 60°C. Experimental results showed that the performance of activated carbon...... amended anazrobic seguencs batch reactor (ASBRs) was more stable than that of ASBRs without activated carbon addition regarding on hydrogen production and pH. Higher hydrogen yield(HY) and hydrogen producing rate(HPR) were observed in the activated carbon amended ASBRs, with 65%, 63%, 54%, 56% enhancement...... of hydrogen yield in smaller size activated carbon amended reactor under the tested HRT ranges, and the maximum HPR of (7.09±0.31)L·(L·d)-1 and HY of (1.42±0.03) mol·mol-1 was obtained at HRT of 12h. The major soluble products form hydrogen fermentation were n-butyric acid and acetic acid, accounting for 46...

Simultaneous purification and storage of hydrogen

Energy Technology Data Exchange (ETDEWEB)

Hynek, S.; Fuller, W.; Weber, R.; Carlson, E. [Arthur D. Little, Inc., Cambridge, MA (United States)

1998-08-01

Specially coated magnesium particles have been shown to selectively absorb hydrogen from a hydrogen-rich gas stream such as reformate. These coated magnesium particles can store the absorbed hydrogen as required and subsequently deliver pure hydrogen, just as uncoated magnesium particles can. These coated magnesium particles could be used in a device that accepts a steady stream of reformate, as from a methane reformer, stores the selectively absorbed hydrogen indefinitely, and delivers purified hydrogen on demand. Unfortunately, this coating (magnesium nitride) has been shown to degrade over a period of several weeks, so that the magnesium within evidences progressively lower storage capacity. The authors are investigating two other coatings, one of which might be applicable to hydridable metals other than magnesium, to replace magnesium nitride.

Visible light photoreactivity from hybridization states between carbon nitride bandgap states and valence states in Nb and Ti oxides

Energy Technology Data Exchange (ETDEWEB)

Lee, Hosik, E-mail: hosiklee@gmail.com [School of Mechanical and Advanced Materials Engineering, Ulsan National Institute of Science and Technology (UNIST), Unist-gil 100 Eonyang-eup, Ulsan 689-798 (Korea, Republic of); Ohno, Takahisa, E-mail: OHNO.Takahisa@nims.go.jp [Global Research Center for Environment and Energy based on Nanomaterials Science (GREEN), National Institute for Material Science, 1-2-1 Sengen, Tsukuba (Japan); Computational Materials Science Unit (CMSU), National Institute for Materials Science (NIMS), Tsukuba, Ibaraki 305-0047 (Japan)

2013-03-29

Highlights: ► Origin of bandgap reduction for visible photoreactivity is suggested. ► Carbon nitride adsorption in interlayer space can induce the bandgap reduction. ► The electronic structures are studied by density functional theory calculations. - Abstract: For better efficiency as photocatalysts, N-doping for visible light reactivity has been intensively studied in Lamellar niobic and titanic solid acids (HNb{sub 3}O{sub 8}, H{sub 2}Ti{sub 4}O{sub 9}), and its microscopic structures have been debated in this decade. We calculate the layered solid acids’ structures and bandgaps. Bandgap reduction by carbon nitride adsorption in interlayer space is observed computationally. It originates from localized nitrogen states which form delocalized top-valence states by hybridizing with the host oxygen states and can contribute to photo-current.

A fluorescent sensor for selective detection of cyanide using mesoporous graphitic carbon(IV) nitride.

Science.gov (United States)

Lee, Eun Zoo; Lee, Sun Uk; Heo, Nam-Su; Stucky, Galen D; Jun, Young-Si; Hong, Won Hi

2012-04-25

A turn-on fluorescence sensor, Cu(2+)-c-mpg-C(3)N(4), was developed for detection of CN(-) in aqueous solution by simply mixing cubic mesoporous graphitic carbon nitride (c-mpg-C(3)N(4)) and aqueous solution of Cu(NO(3))(2). The highly sensitive detection of CN(-) with a detection limit of 80 nM is not only possible in aqueous solution but also in human blood serum.

Noncatalytic hydrogenation of decene-1 with hydrogen accumulated in a hybrid carbon nanostructure in nanosized membrane reactors

Science.gov (United States)

Soldatov, A. P.

2014-08-01

Studies on the creation of nanosized membrane reactors (NMRs) of a new generation with accumulated hydrogen and a regulated volume of reaction zone were continued at the next stage. Hydrogenation was performed in the pores of ceramic membranes with hydrogen preliminarily adsorbed in mono- and multilayered orientated carbon nanotubes with graphene walls (OCNTGs)—a new hybrid carbon nanostructure formed on the inner pore surface. Quantitative determination of hydrogen adsorption in OCNTGs was performed using TRUMEM ultrafiltration membranes with D av = 50 and 90 nm and showed that hydrogen adsorption was up to ˜1.5% of the mass of OCNTG. The instrumentation and procedure for noncatalytic hydrogenation of decene-1 at 250-350°C using hydrogen accumulated and stored in OCNTG were developed. The conversion of decene-1 into decane was ˜0.2-1.8% at hydrogenation temperatures of 250 and 350°C, respectively. The rate constants and activation energy of hydrogenation were determined. The latter was found to be 94.5 kJ/mol, which is much smaller than the values typical for noncatalytic hydrogenations and very close to the values characteristic for catalytic reactions. The quantitative distribution of the reacting compounds in each pore regarded as a nanosized membrane reactor was determined. The activity of hydrogen adsorbed in a 2D carbon nanostructure was evaluated. Possible mechanisms of noncatalytic hydrogenation were discussed.

Uranium sesqui nitride synthesis and its use as catalyst for the thermo decomposition of ammonia

International Nuclear Information System (INIS)

Rocha, Soraya Maria Rizzo da

1996-01-01

The preoccupation to have a secure destination for metallic uranium scraps and wastes and to search new non-nuclear uses for the huge amount of depleted metal uranium accumulated at the nuclear industry encouraged the study of the uranium sesqui nitride synthesis and its use. The use of uranium sesqui nitride as a catalyst for the thermo decomposition of ammonia for the hydrogen production has enormous significance. One of the most important nuclear cycle step is the reduction of the higher uranium oxides for the production of uranium dioxide and its conversion to uranium tetrafluoride. The reduction of the UO 3 and U 3 O 8 oxides is accomplished by the gas-solid reaction with elementary hydrogen. For economical purposes and for the safety concern the nuclear industry prefers to manufacture the hydrogen gas at the local and at the moment of use, exploring the catalytic decomposition of ammonia vapor. Using metallic uranium scraps as the raw material the obtention of its nitride was achieved by the reaction with ammonia. The results of the chemical and physical characterization of the prepared uranium sesqui nitride and its behavior as a catalyst for the cracking of ammonia are commented. A lower ammonia cracking temperature (550 deg C) using the uranium sesqui nitride compared with recommended industrial catalysts iron nitride (650 deg C) and manganese nitride (700 deg C) sounds reliable and economically advantageous. (author)

Effect of high pressure hydrogen on the mechanical characteristics of single carbon fiber

Science.gov (United States)

Jeon, Sang Koo; Kwon, Oh Heon; Jang, Hoon-Sik; Ryu, Kwon Sang; Nahm, Seung Hoon

2018-02-01

In this study, carbon fiber was exposed to a pressure of 7 MPa for 24 h in high pressure chamber. The tensile test for carbon fiber was conducted to estimate the effect on the high pressure hydrogen in the atmosphere. To determine the tensile strength and Weibull modulus, approximately thirty carbon fiber samples were measured in all cases, and carbon fiber exposed to high pressure argon was evaluated to verify only the effect of hydrogen. Additionally, carbon fiber samples were annealed at 1950 °C for 1 h for a comparison with normal carbon fiber and then tested under identical conditions. The results showed that the tensile strength scatter of normal carbon fiber exposed to hydrogen was relatively wider and the Weibull modulus was decreased. Moreover, the tensile strength of the annealed carbon fiber exposed to hydrogen was increased, and these samples indicated a complex Weibull modulus because the hydrogen stored in the carbon fiber influenced the mechanical characteristic.

Structure of carbon and boron nitride nanotubes produced by mechano-thermal process

International Nuclear Information System (INIS)

Chen, Y.; Conway, M.; FitzGerald, J.; Williams, J.S.; Chadderton, L.T.

2002-01-01

Full text: Structure of carbon and boron nitride (BN) nanotubes produced by mechano-thermal process has been investigated by using field-emission scanning electron microscopy (FESEM) and transmission electron microscopy (TEM) including high resolution TEM. FESEM and TEM reveal that nanotubes obtained have a diameter varying from several nm to 200 nm and a length of several micrometers. The size of the nanotubes appears to depend on both milling and heating conditions. Many nanotubes are extruded from particle clusters, implying a special growth mechanism. TEM reveals single- and multi- wall tubular structures and different caps. Bomboo-type nanotubes containing small metal particles inside are also observed in both carbon and BN tubes. This investigation shows that nanotubes with controlled size and structure could be produced by the mechano-thermal process

Ab initio study of aspirin adsorption on single-walled carbon and carbon nitride nanotubes

Science.gov (United States)

Lee, Yongju; Kwon, Dae-Gyeon; Kim, Gunn; Kwon, Young-Kyun

We use ab intio density functional theory to investigate the adsorption properties of acetylsalicylic acid or aspirin on a (10, 0) carbon nanotube (CNT) and a (8, 0) triazine-based graphitic carbon nitride nanotube (CNNT). It is found that an aspirin molecule binds stronger to the CNNT with its adsorption energy of 0.67 eV than to the CNT with 0.51 eV. The stronger adsorption energy on the CNNT is ascribed to the high reactivity of its N atoms with high electron affinity. The CNNT exhibits local electric dipole moments, which cause strong charge redistribution in the aspirin molecule adsorbed on the CNNT than on the CNT. We also explore the influence of an external electric field on the adsorption properties of aspirin on these nanotubes by examining the modifications in their electronic band structures, partial densities of states, and charge distributions. It is found that an electric field applied along a particular direction induces aspirin molecular states in the in-gap region of the CNNT implying a potential application of aspirin detection.

Structural, electronic and magnetic properties of carbon doped boron nitride nanowire: Ab initio study

Energy Technology Data Exchange (ETDEWEB)

Jalilian, Jaafar, E-mail: JaafarJalilian@gmail.com [Young Researchers and Elite Club, Kermanshah Br anch, Islamic Azad University, P.O. Box: 6718997551, Kermanshah (Iran, Islamic Republic of); Kanjouri, Faramarz, E-mail: kanjouri@khu.ac.ir [Physics Department, Faculty of Science, Kharazmi University, University Square, P.O. Box: 3197937551, Karaj (Iran, Islamic Republic of)

2016-11-15

Using spin-polarized density functional theory calculations, we demonstrated that carbon doped boron nitride nanowire (C-doped BNNW) has diverse electronic and magnetic properties depending on position of carbon atoms and their percentages. Our results show that only when one carbon atom is situated on the edge of the nanowire, C-doped BNNW is transformed into half-metal. The calculated electronic structure of the C-doped BNNW suggests that doping carbon can induce localized edge states around the Fermi level, and the interaction among localized edge states leads to semiconductor to half-metal transition. Overall, the bond reconstruction causes of appearance of different electronic behavior such as semiconducting, half-metallicity, nonmagnetic metallic, and ferromagnetic metallic characters. The formation energy of the system shows that when a C atom is doped on surface boron site, system is more stable than the other positions of carbon impurity. Our calculations show that C-doped BNNW may offer unique opportunities for developing nanoscale spintronic materials.

A biosensor for hydrogen peroxide detection based on electronic properties of carbon nanotubes

Science.gov (United States)

Majidi, Roya

2013-01-01

Density functional theory has been used to study the effect of hydrogen peroxide on the electronic properties of single walled carbon nanotubes. The metallic and semiconducting carbon nanotubes have been considered in the presence of different number of hydrogen peroxide. The results indicate that hydrogen peroxide has no significant effect on the metallic nanotube and these nanotubes remain to be metallic. In contrast, the electronic properties of the semiconducting nanotubes are so sensitive to hydrogen peroxide. The energy band gap of these nanotubes is decreased by increasing the number of hydrogen peroxide. The electronic sensivity of the carbon nanotubes to hydrogen peroxide opens new insights into developing biosensors based on the single walled carbon nanotubes.

One-step synthesis of 2D-layered carbon wrapped transition metal nitrides from transition metal carbides (MXenes) for supercapacitors with ultrahigh cycling stability.

Science.gov (United States)

Yuan, Wenyu; Cheng, Laifei; Wu, Heng; Zhang, Yani; Lv, Shilin; Guo, Xiaohui

2018-03-13

A novel one-step method to synthesize 2D carbon wrapped TiN (C@TiN) was proposed via using 2D metal carbides (MXenes) as precursors. This study provides a novel approach to synthesize carbon wrapped metal nitrides.

Anomalous piezoelectricity in two-dimensional graphene nitride nanosheets.

Science.gov (United States)

Zelisko, Matthew; Hanlumyuang, Yuranan; Yang, Shubin; Liu, Yuanming; Lei, Chihou; Li, Jiangyu; Ajayan, Pulickel M; Sharma, Pradeep

2014-06-27

Piezoelectricity is a unique property of materials that permits the conversion of mechanical stimuli into electrical and vice versa. On the basis of crystal symmetry considerations, pristine carbon nitride (C3N4) in its various forms is non-piezoelectric. Here we find clear evidence via piezoresponse force microscopy and quantum mechanical calculations that both atomically thin and layered graphitic carbon nitride, or graphene nitride, nanosheets exhibit anomalous piezoelectricity. Insights from ab inito calculations indicate that the emergence of piezoelectricity in this material is due to the fact that a stable phase of graphene nitride nanosheet is riddled with regularly spaced triangular holes. These non-centrosymmetric pores, and the universal presence of flexoelectricity in all dielectrics, lead to the manifestation of the apparent and experimentally verified piezoelectric response. Quantitatively, an e11 piezoelectric coefficient of 0.758 C m(-2) is predicted for C3N4 superlattice, significantly larger than that of the commonly compared α-quartz.

Beneficial effect of carbon on hydrogen desorption kinetics from Mg–Ni–In alloy

International Nuclear Information System (INIS)

Cermak, J.; Kral, L.

2013-01-01

Highlights: ► Beneficial effect of graphitic carbon was observed. ► The effect is optimal up to c opt . ► Above c opt , phase decomposition occurs. ► Indium in studied Mg–Ni-based alloys prevents oxidation. - Abstract: In the present paper, hydrogen desorption kinetics from hydrided Mg–Ni–In–C alloys was investigated. A chemical composition that substantially accelerates hydrogen desorption was found. It was observed that carbon improves the hydrogen desorption kinetics significantly. Its beneficial effect was found to be optimum close to the carbon concentration of about c C ≅ 5 wt.%. With this composition, stored hydrogen can be desorbed readily at temperatures down to about 485 K, immediately after hydrogen charging. This can substantially shorten the hydrogen charging/discharging cycle of storage tanks using Mg–Ni-based alloys as hydrogen storage medium. For higher carbon concentrations, unwanted phases precipitated, likely resulting in deceleration of hydrogen desorption and lower hydrogen storage capacity.

Hydrogen Adsorption on Activated Carbon an Carbon Nanotubes Using Volumetric Differential Pressure Technique

International Nuclear Information System (INIS)

Sanip, S. M.; Saidin, M. A. R.; Aziz, M.; Ismail, A. F.

2010-01-01

A simple hydrogen adsorption measurement system utilizing the volumetric differential pressure technique has been designed, fabricated and calibrated. Hydrogen adsorption measurements have been carried out at temperatures 298 K and 77 K on activate carbon and carbon nanotubes with different surface areas. The adsorption data obtained will be helpful in understanding the adsorption property of the studied carbon materials using the fundamentals of adsorption theory. The principle of the system follows the Sievert-type method. The system measures a change in pressure between the reference cell, R1 and the sample cell S1, S2, S3 over a certain temperature range, R1, S1, S2, and S3 having known fixed volume. The sample temperatures will be monitored by thermocouple TC while the pressures in R1 an S1, S2, S3 will be measured using a digital pressure transducer. The maximum operating pressure of the pressure transducer is 20 bar and calibrated with an accuracy of ±0.01 bar. High purity hydrogen is being used in the system and the amount of samples for the study is between 1.0-2.0 grams. The system was calibrated using helium gas without any samples in S1, S2 an S3. This will provide a correction factor during the adsorption process providing an adsorption free reference point when using hydrogen gas resulting in a more accurate reading of the adsorption process by eliminating the errors caused by temperature expansion effects and other non-adsorption related phenomena. The ideal gas equation of state is applied to calculate the hydrogen adsorption capacity based on the differential pressure measurements. Activated carbon with a surface area of 644.87 m 2 /g showed a larger amount of adsorption as compared to multiwalled nanotubes (commercial) with a surface area of 119.68 m 2 /g. This study als indicated that there is a direct correlation between the amounts of hydrogen adsorbed an surface area of the carbon materials under the conditions studied and that the adsorption

Two different carbon-hydrogen complexes in silicon with closely spaced energy levels

Energy Technology Data Exchange (ETDEWEB)

Stübner, R., E-mail: ronald.stuebner@physik.tu-dresden.de, E-mail: kolkov@ifpan.edu.pl; Kolkovsky, Vl., E-mail: ronald.stuebner@physik.tu-dresden.de, E-mail: kolkov@ifpan.edu.pl; Weber, J. [Technische Universität Dresden, Institut für Angewandte Physik, 01062 Dresden (Germany)

2015-08-07

An acceptor and a single donor state of carbon-hydrogen defects (CH{sub A} and CH{sub B}) are observed by Laplace deep level transient spectroscopy at 90 K. CH{sub A} appears directly after hydrogenation by wet chemical etching or hydrogen plasma treatment, whereas CH{sub B} can be observed only after a successive annealing under reverse bias at about 320 K. The activation enthalpies of these states are 0.16 eV for CH{sub A} and 0.14 eV for CH{sub B}. Our results reconcile previous controversial experimental results. We attribute CH{sub A} to the configuration where substitutional carbon binds a hydrogen atom on a bond centered position between carbon and the neighboring silicon and CH{sub B} to another carbon-hydrogen defect.

The effect of atomic hydrogen adsorption on single-walled carbon nano tubes properties

International Nuclear Information System (INIS)

Jalili, S.; Majidi, R.

2007-01-01

We investigated the adsorption of hydrogen atoms on metallic single-walled carbon nano tubes using ab initio molecular dynamics method. It was found that the geometric structures and the electronic properties of hydrogenated SWNTs can be strongly changed by varying hydrogen coverage. The circular cross sections of the CNTs were changed with different hydrogen coverage. When hydrogen is chemisorbed on the surface of the carbon nano tube, the energy gap will be appeared. This is due to the degree of the Sp 3 hybridization, and the hydrogen coverage can control the band gap of the carbon nano tube

Nanoporous niobium nitride (Nb2N) with enhanced electrocatalytic performance for hydrogen evolution

Science.gov (United States)

Li, Yan; Zhang, Jianli; Qian, Xingyue; Zhang, Yue; Wang, Yining; Hu, Rudan; Yao, Chao; Zhu, Junwu

2018-01-01

The transition metal nitrides (TMNs) with nanoporous structure have shown great promise as potential electrocatalysts for the hydrogen evolution reaction (HER). Herein, self-organized nanoporous Nb2N was first successfully synthesized through the anodization of niobium in mixed oxalic acid/HF electrolyte, followed by a simple annealing treatment in the ammonia atmosphere. Due to the highly ordered nanoporous structure with abundant active sites and the enhanced electrical conductivity, the Nb2N exhibits a high catalytic current (326.3 mA cm-2) and low onset potential (96.3 mV), which is almost 3.9 times and 4.2 times better than that of Nb2O5, respectively. Meanwhile, the Nb2N also presents low Tafel slope (92 mV dec-1), and excellent cycling durability. More importantly, this study will provide more opportunities for designing and fabricating niobium compounds as an innovative HER catalysts.

Preparing microspheres of actinide nitrides from carbon containing oxide sols

International Nuclear Information System (INIS)

Triggiani, L.V.

1975-01-01

A process is given for preparing uranium nitride, uranium oxynitride, and uranium carboxynitride microspheres and the microspheres as compositions of matter. The microspheres are prepared from carbide sols by reduction and nitriding steps. (Official Gazette)

Microwave interaction with nonuniform hydrogen gas in carbon nanotubes

International Nuclear Information System (INIS)

Babaei, S.; Babaei, Sh.

2009-01-01

In this paper we study the reflection, absorption, and transmission of microwave from nonuniform hydrogen gas in carbon nanotubes, grown by iron-catalyzed high-pressure carbon monoxide disproportionate (HiPco) process. A discussion on the effect of various hydrogen gas parameters on the reflected power, absorbed power, and transmitted power is presented. The nonuniform hydrogen gas slab is modeled by a series of subslabs. The overall number density profile across the whole slab follows a parabolic function. The total reflected, absorbed, and transmitted powers are then deduced and their functional dependence on the number density, collision frequency, and angle of propagation is studied

Carbon dioxide management by chemical conversion to methanol: HYDROGENATION and BI-REFORMING

International Nuclear Information System (INIS)

Wiesberg, Igor L.; Medeiros, José Luiz de; Alves, Rita M.B.; Coutinho, Paulo L.A.; Araújo, Ofélia Q.F.

2016-01-01

Highlights: • Evaluation of carbon dioxide conversion to methanol by two chemical routes. • HYDROGENATION: conversion via catalytic hydrogenation at high pressure. • BI-REFORMING: conversion via syngas from bi-reforming of natural gas. • HYDROGENATION is viable for hydrogen price inferior to 1000 US$/t. • BI-REFORMING is unable to avoid emissions; viable only if gas price is very low. - Abstract: Chemical conversion of carbon dioxide to methanol has the potential to address two relevant sustainability issues: economically feasible replacement of fossil raw materials and avoidance of greenhouse gas emissions. However, chemical stability of carbon dioxide is a challenging impediment to conversion requiring severe reaction conditions at the expense of increased energy input, therefore adding capital, operation and environmental costs, which could result in partial or total override of its potential sustainability as feedstock to the chemical and energy industries. This work investigates two innovative chemical destinations of carbon dioxide to methanol, namely a direct conversion through carbon dioxide hydrogenation (HYDROGENATION), and an indirect via carbon dioxide conversion to syngas through bi-reforming (BI-REFORMING). Process simulation is used to obtain mass and energy balances needed to support assessment of economic and environmental performance. A business scenario is considered where an industrial source of nearly pure carbon dioxide exists and an investment decision for utilization of carbon dioxide is faced. Due to uncertainties in prices of the raw materials, hydrogen (HYDROGENATION) and natural gas (BI-REFORMING), the decision procedure includes the definition of price thresholds to reach profitability. Sensitivity analyses are performed varying costs with greater uncertainty, i.e., carbon dioxide and methanol, and recalculating maximum allowable prices of raw materials. The analyses show that in a Brazilian scenario, BI-REFORMING is unlikely

Graphitic carbon nitride nanosheet electrode-based high-performance ionic actuator

Science.gov (United States)

Wu, Guan; Hu, Ying; Liu, Yang; Zhao, Jingjing; Chen, Xueli; Whoehling, Vincent; Plesse, Cédric; Nguyen, Giao T. M.; Vidal, Frédéric; Chen, Wei

2015-01-01

Ionic actuators have attracted attention due to their remarkably large strain under low-voltage stimulation. Because actuation performance is mainly dominated by the electrochemical and electromechanical processes of the electrode layer, the electrode material and structure are crucial. Here, we report a graphitic carbon nitride nanosheet electrode-based ionic actuator that displays high electrochemical activity and electromechanical conversion abilities, including large specific capacitance (259.4 F g−1) with ionic liquid as the electrolyte, fast actuation response (0.5±0.03% in 300 ms), large electromechanical strain (0.93±0.03%) and high actuation stability (100,000 cycles) under 3 V. The key to the high performance lies in the hierarchical pore structure with dominant size actuation performance. PMID:26028354

Effect of ultraviolet light irradiation on amorphous carbon nitride films

International Nuclear Information System (INIS)

Zhang, M.; Nakayama, Y.

1997-01-01

The amorphous carbon nitride films were produced using electron cyclotron resonance nitrogen plasma with various mixtures of N 2 and CH 4 gases. The dependence of film structures on the nitrogen incorporation and the structural modifications of the film due to ultraviolet (UV) light irradiation were investigated using infrared and UV-VIS spectroscopy. It is found that UV irradiation results in the decrease of CH bonding, increase of CC and CN double bonding in the film and increase of the optical band gap of the film. It appears that both bond removal and reordering have taken place as a result of UV irradiation. The structural modifications due to nitrogen incorporation and UV light irradiation are explained by a cluster model. copyright 1997 American Institute of Physics

Paramagnetic defects in hydrogenated amorphous carbon powders

International Nuclear Information System (INIS)

Keeble, D J; Robb, K M; Smith, G M; Mkami, H El; Rodil, S E; Robertson, J

2003-01-01

Hydrogenated amorphous carbon materials typically contain high concentrations of paramagnetic defects, the density of which can be quantified by electron paramagnetic resonance (EPR). In this work EPR measurements near 9.5, 94, and 189 GHz have been performed on polymeric and diamond-like hydrogenated amorphous carbon (a-C:H) powder samples. A similar single resonance line was observed at all frequencies for the two forms of a-C:H studied. No contributions to the spectrum from centres with resolved anisotropic g-values as reported earlier were detected. An increase in linewidth with microwave frequency was observed. Possible contributions to this frequency dependence are discussed

Deposition of carbon nitride films by vacuum ion diode with explosive emission

Energy Technology Data Exchange (ETDEWEB)

Korenev, S.A.; Perry, A.J. [New Jersey Inst. of Tech., Newark (United States); Elkind, A.; Kalmukov, A.

1997-10-31

Carbon nitride films were synthesized using a novel technique based on the pulsed high voltage ion/electron diode with explosive emission (pulsed voltage 200-700 kV pulsed current 100-500 Acm{sup -2} (ions) 150-2000 Acm{sup -2} (electrons)). The method and its novel features are discussed as well as its application to the formation of the crystalline {beta}-phase in C{sub 3}N{sub 4} films. Mixed elemental nitrogen and carbon films are formed by sequential deposition then subjected to ion and/or electron beam mixing to synthesize the C{sub 3}N{sub 4} structure. The experimental conditions used for this pulsed process are described and the efficiency of the method for nitrogen incorporation is demonstrated. The results presented indicate that {beta}-C{sub 3}N{sub 4} crystallites are formed in an amorphous matrix. (orig.) 20 refs.

Theoretical analysis of hydrogen spillover mechanism on carbon nanotubes

Directory of Open Access Journals (Sweden)

Rosalba eJuarez Mosqueda

2015-02-01

Full Text Available The spillover mechanism of molecular hydrogen on carbon nanotubes in the presence of catalytically active platinum clusters was critically and systematically investigated by using density-functional theory. Our simulation model includes a Pt4 cluster for the catalyst nanoparticle and curved and planar circumcoronene for two exemplary single-walled carbon nanotubes (CNT, the (10,10 CNT and one of large diameter, respectively. Our results show that the H2 molecule dissociates spontaneously on the Pt4 cluster. However, the dissociated H atoms have to overcome a barrier of more than 2 eV to migrate from the catalyst to the CNT, even if the Pt4 cluster is at full saturation with six adsorbed and dissociated hydrogen molecules. Previous investigations have shown that the mobility of hydrogen atoms on the CNT surface is hindered by a barrier. We find that instead the Pt4 catalyst may move along the outer surface of the CNT with activation energy of only 0.16 eV, and that this effect offers the possibility of full hydrogenation of the CNT. Thus, although we have not found a low-energy pathway to spillover onto the CNT, we suggest, based on our calculations and calculated data reported in the literature, that in the hydrogen-spillover process the observed saturation of the CNT at hydrogen background pressure occurs through mobile Pt nanoclusters, which move on the substrate more easily than the substrate-chemisorbed hydrogens, and deposit or reattach hydrogens in the process. Initial hydrogenation of the carbon substrate, however, is thermodynamically unfavoured, suggesting that defects should play a significant role.

Hydrogen-enriched natural gas; Bridge to an ultra low carbon world

Energy Technology Data Exchange (ETDEWEB)

Samuel, Joshua; Oliver, Mike

2010-09-15

Natural gas is recognized as an important part of the solution to climate change, as it has the smallest carbon footprint among fossil fuels and can be used with high efficiency. This alone is not enough. Supplementing natural gas with hydrogen creating hydrogen-enriched natural gas (HENG), where the hydrogen comes from a low- or zero-carbon energy source. HENG, the subject of this paper, can leverage existing natural gas infrastructure to reduce CO2 and NOx, improve the efficiency of end-use equipment, and lower the overall carbon intensity of energy consumption.

Hydrogen adsorption in the series of carbon nanostructures: Graphenes-graphene nanotubes-nanocrystallites

Science.gov (United States)

Soldatov, A. P.; Kirichenko, A. N.; Tat'yanin, E. V.

2016-07-01

A comparative analysis of hydrogen absorption capability is performed for the first time for three types of carbon nanostructures: graphenes, oriented carbon nanotubes with graphene walls (OCNTGs), and pyrocarbon nanocrystallites (PCNs) synthesized in the pores of TRUMEM ultrafiltration membranes with mean diameters ( D m) of 50 and 90 nm, using methane as the pyrolized gas. The morphology of the carbon nanostructures is studied by means of powder X-ray diffraction, X-ray photoelectron spectroscopy (XPS), Raman spectroscopy, and transmission electron microscopy (TEM). Hydrogen adsorption is investigated via thermogravimetric analysis (TGA) in combination with mass-spectrometry. It is shown that only OCNTGs can adsorb and store hydrogen, the desorption of which under atmospheric pressure occurs at a temperature of around 175°C. Hydrogen adsorption by OCNTGs is quantitatively determined and found to be about 1.5% of their mass. Applying certain assumptions, the relationship between the mass of carbon required for the formation of single-wall OCNTGs in membrane pores and the surface area of pores is established. Numerical factor Ψ = m dep/ m calc, where m dep is the actual mass of carbon deposited upon the formation of OCNTGs and mcalc is the calculated mass of carbon necessary for the formation of OCNTGs is introduced. It is found that the dependence of specific hydrogen adsorption on the magnitude of the factor has a maximum at Ψ = 1.2, and OCNTGs can adsorb and store hydrogen in the interval 0.4 to 0.6 hydrogen adsorption and its relationship to the structure of carbon nanoformations are examined.

Ab initio studies of vacancies in (8,0) and (8,8) single-walled carbon and boron nitride nanotubes

CSIR Research Space (South Africa)

Mashapa, MG

2012-09-01

Full Text Available -1 Journal of Nanoscience and Nanotechnology Vol. 12, 7030?7036, 2012 Ab Initio Studies of Vacancies in (8,0) and (8,8) Single-Walled Carbon and Boron Nitride NanotubesAb M. G. Mashapa 1, 2, *, N. Chetty 2, and S. Sinha Ray 1, 3 1 DST...

Conductive Boron-Doped Graphene as an Ideal Material for Electrocatalytically Switchable and High-Capacity Hydrogen Storage.

Science.gov (United States)

Tan, Xin; Tahini, Hassan A; Smith, Sean C

2016-12-07

Electrocatalytic, switchable hydrogen storage promises both tunable kinetics and facile reversibility without the need for specific catalysts. The feasibility of this approach relies on having materials that are easy to synthesize, possessing good electrical conductivities. Graphitic carbon nitride (g-C 4 N 3 ) has been predicted to display charge-responsive binding with molecular hydrogen-the only such conductive sorbent material that has been discovered to date. As yet, however, this conductive variant of graphitic carbon nitride is not readily synthesized by scalable methods. Here, we examine the possibility of conductive and easily synthesized boron-doped graphene nanosheets (B-doped graphene) as sorbent materials for practical applications of electrocatalytically switchable hydrogen storage. Using first-principle calculations, we find that the adsorption energy of H 2 molecules on B-doped graphene can be dramatically enhanced by removing electrons from and thereby positively charging the adsorbent. Thus, by controlling charge injected or depleted from the adsorbent, one can effectively tune the storage/release processes which occur spontaneously without any energy barriers. At full hydrogen coverage, the positively charged BC 5 achieves high storage capacities up to 5.3 wt %. Importantly, B-doped graphene, such as BC 49 , BC 7 , and BC 5 , have good electrical conductivity and can be easily synthesized by scalable methods, which positions this class of material as a very good candidate for charge injection/release. These predictions pave the route for practical implementation of electrocatalytic systems with switchable storage/release capacities that offer high capacity for hydrogen storage.

Hydrogen storage by carbon materials synthesized from oil seeds and fibrous plant materials

Energy Technology Data Exchange (ETDEWEB)

Sharon, Maheshwar; Bhardwaj, Sunil; Jaybhaye, Sandesh [Nanotechnology Research Center, Birla College, Kalyan 421304 (India); Soga, T.; Afre, Rakesh [Graduate School of Engineering, Nagoya Institute of Technology, Nagoya (Japan); Sathiyamoorthy, D.; Dasgupta, K. [Powder Metallurgy Division, BARC, Trombay 400 085 (India); Sharon, Madhuri [Monad Nanotech Pvt. Ltd., A702 Bhawani Tower, Powai, Mumbai 400 076 (India)

2007-12-15

Carbon materials of various morphologies have been synthesized by pyrolysis of various oil-seeds and plant's fibrous materials. These materials are characterized by SEM and Raman. Surface areas of these materials are determined by methylene blue method. These carbon porous materials are used for hydrogen storage. Carbon fibers with channel type structure are obtained from baggas and coconut fibers. It is reported that amongst the different plant based precursors studied, carbon from soyabean (1.09 wt%) and baggas (2.05 wt%) gave the better capacity to store hydrogen at 11kg/m{sup 2} pressure of hydrogen at room temperature. Efforts are made to correlate the hydrogen adsorption capacity with intensities and peak positions of G- and D-band obtained with carbon materials synthesized from plant based precursors. It is suggested that carbon materials whose G-band is around 1575cm{sup -1} and the intensity of D-band is less compared to G-band, may be useful material for hydrogen adsorption study. (author)

Carbon nanotube materials for hydrogen storage

Energy Technology Data Exchange (ETDEWEB)

Dillon, A.C.; Parilla, P.A.; Jones, K.M.; Riker, G.; Heben, M.J. [National Renewable Energy Lab., Golden, CO (United States)

1998-08-01

Carbon single-wall nanotubes (SWNTs) are essentially elongated pores of molecular dimensions and are capable of adsorbing hydrogen at relatively high temperatures and low pressures. This behavior is unique to these materials and indicates that SWNTs are the ideal building block for constructing safe, efficient, and high energy density adsorbents for hydrogen storage applications. In past work the authors developed methods for preparing and opening SWNTs, discovered the unique adsorption properties of these new materials, confirmed that hydrogen is stabilized by physical rather than chemical interactions, measured the strength of interaction to be {approximately} 5 times higher than for adsorption on planar graphite, and performed infrared absorption spectroscopy to determine the chemical nature of the surface terminations before, during, and after oxidation. This year the authors have made significant advances in synthesis and characterization of SWNT materials so that they can now prepare gram quantities of high-purity SWNT samples and measure and control the diameter distribution of the tubes by varying key parameters during synthesis. They have also developed methods which purify nanotubes and cut nanotubes into shorter segments. These capabilities provide a means for opening the tubes which were unreactive to the oxidation methods that successfully opened tubes, and offer a path towards organizing nanotube segments to enable high volumetric hydrogen storage densities. They also performed temperature programmed desorption spectroscopy on high purity carbon nanotube material obtained from collaborator Prof. Patrick Bernier and finished construction of a high precision Seivert`s apparatus which will allow the hydrogen pressure-temperature-composition phase diagrams to be evaluated for SWNT materials.

Thermal stability of hydrogenated small-diameter carbon nanotubes

Energy Technology Data Exchange (ETDEWEB)

Podlivaev, A. I., E-mail: AIPodlivayev@mephi.ru; Openov, L. A. [National Research Nuclear University “MEPhI” (Russian Federation)

2017-02-15

The initial stage of hydrogen desorption from fully hydrogenated carbon nanotubes (3.0) and (2.2) is numerically studied by the molecular dynamics method. The temperature dependence of the desorption rate is directly determined at T = 1800–2500 K. The characteristic desorption times are determined at temperatures outside this range by extrapolation. It is shown that hydrogen desorption leads to the appearance of electronic states in the band gap.

A study on hydrogen storage through adsorption in nano-structured carbons

International Nuclear Information System (INIS)

Langohr, D.

2004-10-01

The aim of this work is to build and calibrate an experimental set-up for the testing of the materials, to produce some carbon materials in large amounts and characterise them, and finally, to test these materials in their ability to store hydrogen. This will help in establishing a link between the hydrogen storage capacities of the carbons and their nano-structure. The script is divided into four chapters. The first chapter will deal with the literature review on the thematic of hydrogen storage through adsorption in the carbon materials, while the second chapter will present the experimental set-up elaborated in the laboratory. The third chapter explains the processes used to produce the two families of carbon materials and finally, the last chapter presents the structural characterisation of the samples as well as the experimental results of hydrogen storage on the materials elaborated. (author)

Performance of CVD and CVR coated carbon-carbon in high temperature hydrogen

Science.gov (United States)

Adams, J. W.; Barletta, R. E.; Svandrlik, J.; Vanier, P. E.

As a part of the component development process for the particle bed reactor (PBR), it is necessary to develop coatings which will be time and temperature stable at extremely high temperatures in flowing hydrogen. These coatings must protect the underlying carbon structure from attack by the hydrogen coolant. Degradation which causes small changes in the reactor component, e.g. hole diameter in the hot frit, can have a profound effect on operation. The ability of a component to withstand repeated temperature cycles is also a coating development issue. Coatings which crack or spall under these conditions would be unacceptable. While refractory carbides appear to be the coating material of choice for carbon substrates being used in PBR components, the method of applying these coatings can have a large effect on their performance. Two deposition processes for these refractory carbides, chemical vapor deposition (CVD) and chemical vapor reaction (CVR), have been evaluated. Screening tests for these coatings consisted of testing of coated 2-D and 3-D weave carbon-carbon in flowing hot hydrogen at one atmosphere. Carbon loss from these samples was measured as a function of time. Exposure temperatures up to 3,000 K were used, and samples were exposed in a cyclical fashion cooling to room temperature between exposures. The results of these measurements are presented along with an evaluation of the relative merits of CVR and CVD coatings for this application.

Mechanism of obtaining carbon monoxide and hydrogen during brown coal radiolysis. [Gamma radiation

Energy Technology Data Exchange (ETDEWEB)

Rustamov, V R; Kurbanov, M A; Dzantiev, B T; Kerimov, V K; Musaeva, P F

1982-05-01

This article analyzes effects of gamma radiation on the yield of products of coal gasification: hydrogen and carbon monoxide. Samples of brown coal from the Kansk-Achins basin were treated by gamma radiation with cobalt 60 radiation source. Analyses show that accumulation of hydrogen and carbon monoxide in brown coal under influence of gamma radiation is characterized by a constant rate. Yields of carbon monoxide and hydrogen amount to 0.16 molecule/100 electro volt and 0.21 molecule/electro volt respectively. Reducing radiation dose from 2.5 to 0.7 millirad/h reduces yields of hydrogen and carbon monoxide. Increasing temperature of vacuum brown coal pyrolysis from 200 to 600 C causes decrease of hydrogen yield. Hydrogen yield decrease during temperature increase is caused by a high content of aromatic nuclei in the samples used in the radiolysis. (5 refs.)

Co-implantation of carbon and nitrogen into silicon dioxide for synthesis of carbon nitride materials

CERN Document Server

Huang, M B; Nuesca, G; Moore, R

2002-01-01

Materials synthesis of carbon nitride has been attempted with co-implantation of carbon and nitrogen into thermally grown SiO sub 2. Following implantation of C and N ions to doses of 10 sup 1 sup 7 cm sup - sup 2 , thermal annealing of the implanted SiO sub 2 sample was conducted at 1000 degree sign C in an N sub 2 ambient. As evidenced in Fourier transform infrared measurements and X-ray photoelectron spectroscopy, different bonding configurations between C and N, including C-N single bonds, C=N double bonds and C=N triple bonds, were found to develop in the SiO sub 2 film after annealing. Chemical composition profiles obtained with secondary ion mass spectroscopy were correlated with the depth information of the chemical shifts of N 1s core-level electrons, allowing us to examine the formation of C-N bonding for different atomic concentration ratios between N and C. X-ray diffraction and transmission electron microscopy showed no sign of the formation of crystalline C sub 3 N sub 4 precipitates in the SiO ...

Hydrogen storage capacity of lithium-doped KOH activated carbons

International Nuclear Information System (INIS)

Minoda, Ai; Oshima, Shinji; Iki, Hideshi; Akiba, Etsuo

2014-01-01

Highlights: • The hydrogen adsorption of lithium-doped KOH activated carbons has been studied. • Lithium doping improves their hydrogen adsorption affinity. • Lithium doping is more effective for materials with micropores of 0.8 nm or smaller. • Lithium reagent can alter the pore structure, depending on the raw material. • Optimizing the pore size and functional group is needed for better hydrogen uptake. - Abstract: The authors have studied the hydrogen adsorption performance of several types of lithium-doped KOH activated carbons. In the case of activated cokes, lithium doping improves their hydrogen adsorption affinity from 5.02 kg/m 3 to 5.86 kg/m 3 at 303 K. Hydrogen adsorption density increases by around 17% after lithium doping, likely due to the fact that lithium doping is more effective for materials with micropores of 0.8 nm or smaller. The effects of lithium on hydrogen storage capacity vary depending on the raw material, because the lithium reagent can react with the material and alter the pore structure, indicating that lithium doping has the effect of plugging or filling the micropores and changing the structures of functional groups, resulting in the formation of mesopores. Despite an observed decrease in hydrogen uptake, lithium doping was found to improve hydrogen adsorption affinity. Lithium doping increases hydrogen uptake by optimizing the pore size and functional group composition

Cyanide Ligand Assembly by Carbon Atom Transfer to an Iron Nitride

International Nuclear Information System (INIS)

Martinez, Jorge L.; Pink, Maren

2017-01-01

The new iron(IV) nitride complex PhB( i Pr 2 Im) 3 Fe≡N reacts with two equivalents of bis(diisopropylamino)cyclopropenylidene (BAC) to provide PhB( i Pr 2 Im) 3 Fe(CN)(N 2 )(BAC). This unusual example of a four-electron reaction involves carbon atom transfer from BAC to create a cyanide ligand along with the alkyne i Pr 2 N-C≡C-N i Pr 2 . The iron complex is in equilibrium with an N 2 - free species. Further reaction with CO leads to formation of a CO analogue, which can be independently prepared using NaCN as the cyanide source, while reaction with B(C 6 F 5 ) 3 provides the cyanoborane derivative.

Investigate of analysis for hydrogen contents in carbon films

International Nuclear Information System (INIS)

Yasui, Haruyuki; Hirose, Yukio; Sasaki, Toshihiko; Awazu, Kaoru; Naramoto, Hiroshi

2001-01-01

Hydrogen is a very common contaminant in carbon films. It can strongly influences on mechanical, physical and chemical properties of the films. The analysis of hydrogen is therefore a crucial problem to prepare the films with the reproducible property. We were measured two kinds of methods. Ion beam techniques using nuclear reactions are established methods for the quantitative determination of hydrogen concentration. A spectrometer has been constructed for the determination of hydrogen concentrations by detecting 4.43 MeV γ-rays from the resonant nuclear reactions 1 H( 15 N, α γ) 12 C at the 6.385 MeV. And the other measurement of hydrogen is GDOES (Glow Discharge Optical Emission Spectroscopy), with its high sputtering rates, had been used previously for depth profiling analysis of thin films. The depth profiling analysis was carried out at an argon atmosphere by applying an RF of 13.56 MHz. The sampling time interval was 0.1 sec. The detailed hydrogen analysis was made on BCN (Boron Carbonitride) and DLC (Diamond-like Carbon) thin films. The BCN films were prepared by ion beam assisted deposition, in which boron and carbon were deposited by electron beam heating of B 4 C solid and nitrogen was supplied by implantation simultaneously. The DLC films were prepared by HPPC (Hybrid-pulse plasma coating) system. It was a new coating system that we developed which consists fundamentally of plasma CVD (chemical vapor deposition) and ion-mixing. In this paper, we reported the comparison of analysis for hydrogen contents between RNRA and GDOES. (author)

Investigate of analysis for hydrogen contents in carbon films

Energy Technology Data Exchange (ETDEWEB)

Yasui, Haruyuki; Hirose, Yukio; Sasaki, Toshihiko [Kanazawa Univ., Kanazawa, Ishikawa (Japan); Awazu, Kaoru [Industrial Research Institute of Ishikawa, Kanazawa, Ishikawa (Japan); Naramoto, Hiroshi [Japan Atomic Energy Research Inst., Takasaki, Gunma (Japan). Takasaki Radiation Chemistry Research Establishment

2001-07-01

Hydrogen is a very common contaminant in carbon films. It can strongly influences on mechanical, physical and chemical properties of the films. The analysis of hydrogen is therefore a crucial problem to prepare the films with the reproducible property. We were measured two kinds of methods. Ion beam techniques using nuclear reactions are established methods for the quantitative determination of hydrogen concentration. A spectrometer has been constructed for the determination of hydrogen concentrations by detecting 4.43 MeV {gamma}-rays from the resonant nuclear reactions {sup 1}H({sup 15}N, {alpha} {gamma}){sup 12}C at the 6.385 MeV. And the other measurement of hydrogen is GDOES (Glow Discharge Optical Emission Spectroscopy), with its high sputtering rates, had been used previously for depth profiling analysis of thin films. The depth profiling analysis was carried out at an argon atmosphere by applying an RF of 13.56 MHz. The sampling time interval was 0.1 sec. The detailed hydrogen analysis was made on BCN (Boron Carbonitride) and DLC (Diamond-like Carbon) thin films. The BCN films were prepared by ion beam assisted deposition, in which boron and carbon were deposited by electron beam heating of B{sub 4}C solid and nitrogen was supplied by implantation simultaneously. The DLC films were prepared by HPPC (Hybrid-pulse plasma coating) system. It was a new coating system that we developed which consists fundamentally of plasma CVD (chemical vapor deposition) and ion-mixing. In this paper, we reported the comparison of analysis for hydrogen contents between RNRA and GDOES. (author)

Characterization of boron nitride thin films prepared from a polymer precursor

International Nuclear Information System (INIS)

Chan, V.Z.; Rothman, J.B.; Palladino, P.; Sneddon, L.G.; Composto, R.J.

1996-01-01

Excellent quality boron nitride (BN) thin films on silicon have been produced by a simple procedure involving spincoating solutions of the open-quote open-quote single-source close-quote close-quote polymeric-precursor polyborazylene, (B 3 N 3 H ∼4 ) x , on a silicon substrate, followed by pyrolysis at 900 degree C. Rutherford backscattering spectrometry (RBS) indicates that the B/N ratios are 1.37 and 1.09 for conversions carried out in a vacuum oven at 900 and 1250 degree C, respectively. Forward recoil spectrometry (FRES) showed that the atomic percent of residual hydrogen is 10 and 9%, respectively. Plain-view and cross-sectional scanning electron microscopy (SEM) studies showed that the samples annealed at 900 degree C were clean and uniform in thickness. A thickness of 800x10 15 atoms/cm 2 was determined by ion scattering. Films annealed to 1250 degree C likewise showed a continuous unbroken boron nitride layer, but also exhibited morphological features resulting from reactions of the underlying silicon oxide-silicon interface in the substrate. Auger electron spectroscopy and atomic force microscopy showed that the BN coating produced at this higher temperature remained unbroken but had a surface area of ∼15% covered by dimples 2 endash 7 nm in depth. Compared to typical films made by chemical vapor deposition, BN films produced from this open-quote open-quote single-source close-quote close-quote method have lower hydrogen and carbon concentrations. copyright 1996 Materials Research Society

Rapid synthesis of graphitic carbon nitride powders by metathesis reaction between CaCN{sub 2} and C{sub 2}Cl{sub 6}

Energy Technology Data Exchange (ETDEWEB)

Pang Linlin [Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University, Jinan, 250061 (China); Carbon Fiber Engineering Research Center of Shandong Province, Shandong University, Jinan 250061 (China); Bi Jianqiang [Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University, Jinan, 250061 (China); Bai Yujun [Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University, Jinan, 250061 (China) and Carbon Fiber Engineering Research Center of Shandong Province, Shandong University, Jinan 250061 (China)], E-mail: byj97@126.com; Qi Yongxin [Carbon Fiber Engineering Research Center of Shandong Province, Shandong University, Jinan 250061 (China); Zhu Huiling [Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University, Jinan, 250061 (China); Carbon Fiber Engineering Research Center of Shandong Province, Shandong University, Jinan 250061 (China); Wang Chengguo; Wu Jiwei [Carbon Fiber Engineering Research Center of Shandong Province, Shandong University, Jinan 250061 (China); Lu Chengwei [Department of Equipment, Shandong University of Science and Technology, Jinan 250031 (China)

2008-12-20

Carbon nitride powders were rapidly synthesized at low temperature via the chemical metathesis reaction between CaCN{sub 2} and C{sub 2}Cl{sub 6}. X-ray diffraction results confirm the formation of crystalline graphitic carbon nitride. Besides the dominant morphology of nanoparticles, flakes, nanorods, hollow and solid spheres can be observed by transmission electron microscopy. The absorption peaks of C-N, C=N and s-triazine rings, as well as the absence of C{identical_to}N peak in the infrared spectra, further verify the formation of graphite-like sp{sup 2}-bonded structure with planar networks. Elemental analysis gives an atomic ratio of N/C around 0.3. X-ray photoelectron spectra exhibit the existence of chemical bonding between C and N.

Monte-Carlo Simulation of Hydrogen Adsorption in Single-Wall Carbon Nano-Cones

Directory of Open Access Journals (Sweden)

Zohreh Ahadi

2011-01-01

Full Text Available The properties of hydrogen adsorption in single-walled carbon nano-cones are investigated in detail by Monte Carlo simulations. A great deal of our computational results show that the hydrogen storage capacity in single-walled carbon nano-cones is slightly smaller than the capacity of single-walled carbon nanotubes at any time at the same conditions. This indicates that the hydrogen storage capacity of single-walled carbon nano-cones is related to angles of carbon nano-cones. It seems that these type of nanotubes could not exceed the 2010 goal of 6 wt%, which is presented by the U.S. Department of Energy. In addition, these results are discussed in theory.

Preparation and characterization of silicon nitride (Si−N)-coated carbon fibers and their effects on thermal properties in composites

Energy Technology Data Exchange (ETDEWEB)

Kim, Hyeon-Hye [R& D Division, Korea Institute of Carbon Convergence Technology, Jeonju 561-844 (Korea, Republic of); Nano& Advanced Materials Engineering, Jeonju University, Jeonju 560-759 (Korea, Republic of); Han, Woong [R& D Division, Korea Institute of Carbon Convergence Technology, Jeonju 561-844 (Korea, Republic of); Lee, Hae-seong [Nano& Advanced Materials Engineering, Jeonju University, Jeonju 560-759 (Korea, Republic of); Min, Byung-Gak [Department of Polymer Science & Engineering, Korea National University of Transportation, Chungju 380-702 (Korea, Republic of); Kim, Byung-Joo, E-mail: ap2-kbj@hanmail.net [R& D Division, Korea Institute of Carbon Convergence Technology, Jeonju 561-844 (Korea, Republic of)

2015-10-15

Graphical abstract: We report preparation and characterization of silicon nitride (Si−N)-coated carbon fibers and their effects on thermal properties in composites. Thermally composites showed enhanced thermal conductivity increasing from up to 59% by the thermal network. - Highlights: • A new method of Si−N coating on carbon fibers was reported. • Silane layer were successfully converted to Si−N layer on carbon fiber surface. • Si−N formation was confirmed by FT-IR, XPS, and EDX. • Thermal conductivity of Si−N coated CF composites were enhanced to 0.59 W/mK. - Abstract: This study investigates the effect of silicon nitride (Si−N)-coated carbon fibers on the thermal conductivity of carbon-fiber-reinforced epoxy composite. The surface properties of the Si−N-coated carbon fibers (SiNCFs) were observe using Fourier transform infrared spectroscopy, scanning electron microscopy, energy dispersive spectroscopy, and X-ray photoelectron spectroscopy, and the thermal stability was analyzed using thermogravimetric analysis. SiNCFs were fabricated through the wet thermal treatment of carbon fibers (Step 1: silane finishing of the carbon fibers; Step 2: high-temperature thermal treatment in a N{sub 2}/NH{sub 3} environment). As a result, the Si−N belt was exhibited by SEM. The average thickness of the belt were 450–500 nm. The composition of Si−N was the mixture of Si−N, Si−O, and C−Si−N as confirmed by XPS. Thermal residue of the SiNCFs in air was enhanced from 3% to 50%. Thermal conductivity of the composites increased from 0.35 to 0.59 W/mK after Si−N coating on carbon surfaces.

Hydrogen storage in porous carbons: modelling and performance improvements

International Nuclear Information System (INIS)

Pellenq, R.J.M.; Maresca, O.; Marinelli, F.; Duclaux, L.; Azais, P.; Conard, J.

2006-01-01

In this work, we aim at exploring using ab initio calculations, the various ways allowing for an efficient hydrogen docking in carbon porous materials. Firstly, the influence of surface curvature on the chemisorption of atomic hydrogen is considered. Then it is shown that electro-donor elements such as lithium or potassium used as dopant of the carbon substrate induce a strong physi-sorption for H 2 , allowing its storage at ambient temperature under moderate pressure. (authors)

Physisorption of molecular hydrogen on carbon nanotube with vacant defects

Energy Technology Data Exchange (ETDEWEB)

Sun, Gang; Shen, Huaze; Wang, Enge; Xu, Limei, E-mail: limei.xu@pku.edu.cn [International Center for Quantum Materials and School of Physics, Peking University, Beijing 100871 (China); Collaborative Innovation Center of Quantum Matter, Beijing (China); Tangpanitanon, Jirawat [University of Cambridge, Cambridge, Cambridgeshire CB2 1TP (United Kingdom); Wen, Bo [International Center for Quantum Materials and School of Physics, Peking University, Beijing 100871 (China); Beijing Computational Science Research Center, Heqing Street, Haidian District, Beijing 100084 (China); Xue, Jianming [State Key Laboratory of Nuclear Physics and Technology, School of Physics, Peking University, Beijing 100871 (China); Center for Applied Physics and Technology, Peking University, Beijing 100871 (China)

2014-05-28

Physisorption of molecular hydrogen on single-walled carbon nanotubes (SWCNTs) is important for its engineering applications and hydrogen energy storage. Using molecular dynamics simulation, we study the physisorption of molecular hydrogen on a SWCNT with a vacant defect, focusing on the effect of the vacant defect size and external parameters such as temperature and pressure. We find that hydrogen can be physisorbed inside a SWCNT through a vacant defect when the defect size is above a threshold. By controlling the size of the defects, we are able to extract hydrogen molecules from a gas mixture and store them inside the SWCNT. We also find that external parameters, such as low temperature and high pressure, enhance the physisorption of hydrogen molecules inside the SWCNT. In addition, the storage efficiency can be improved by introducing more defects, i.e., reducing the number of carbon atoms on the SWCNT.

Physisorption of molecular hydrogen on carbon nanotube with vacant defects

Science.gov (United States)

Sun, Gang; Tangpanitanon, Jirawat; Shen, Huaze; Wen, Bo; Xue, Jianming; Wang, Enge; Xu, Limei

2014-05-01

Physisorption of molecular hydrogen on single-walled carbon nanotubes (SWCNTs) is important for its engineering applications and hydrogen energy storage. Using molecular dynamics simulation, we study the physisorption of molecular hydrogen on a SWCNT with a vacant defect, focusing on the effect of the vacant defect size and external parameters such as temperature and pressure. We find that hydrogen can be physisorbed inside a SWCNT through a vacant defect when the defect size is above a threshold. By controlling the size of the defects, we are able to extract hydrogen molecules from a gas mixture and store them inside the SWCNT. We also find that external parameters, such as low temperature and high pressure, enhance the physisorption of hydrogen molecules inside the SWCNT. In addition, the storage efficiency can be improved by introducing more defects, i.e., reducing the number of carbon atoms on the SWCNT.

Physisorption of molecular hydrogen on carbon nanotube with vacant defects

International Nuclear Information System (INIS)

Sun, Gang; Shen, Huaze; Wang, Enge; Xu, Limei; Tangpanitanon, Jirawat; Wen, Bo; Xue, Jianming

2014-01-01

Physisorption of molecular hydrogen on single-walled carbon nanotubes (SWCNTs) is important for its engineering applications and hydrogen energy storage. Using molecular dynamics simulation, we study the physisorption of molecular hydrogen on a SWCNT with a vacant defect, focusing on the effect of the vacant defect size and external parameters such as temperature and pressure. We find that hydrogen can be physisorbed inside a SWCNT through a vacant defect when the defect size is above a threshold. By controlling the size of the defects, we are able to extract hydrogen molecules from a gas mixture and store them inside the SWCNT. We also find that external parameters, such as low temperature and high pressure, enhance the physisorption of hydrogen molecules inside the SWCNT. In addition, the storage efficiency can be improved by introducing more defects, i.e., reducing the number of carbon atoms on the SWCNT

Self-assembly graphitic carbon nitride quantum dots anchored on TiO_2 nanotube arrays: An efficient heterojunction for pollutants degradation under solar light

International Nuclear Information System (INIS)

Su, Jingyang; Zhu, Lin; Geng, Ping; Chen, Guohua

2016-01-01

Highlights: • Carbon nitride quantum dots (CNQDs) were decorated onto TiO_2 nanotube arrays (NTAs). • The CNQDs/TiO_2 NTAs exhibits much improved photoelectrochemical activity. • The heterojunction displays efficient removal efficiencies for RhB and phenol. • Pollutants degradation mechanism over CNQDs/TiO_2 NTAs was clarified. - Abstract: In this study, an efficient heterojunction was constructed by anchoring graphitic carbon nitride quantum dots onto TiO_2 nanotube arrays through hydrothermal reaction strategy. The prepared graphitic carbon nitride quantum dots, which were prepared by solid-thermal reaction and sequential dialysis process, act as a sensitizer to enhance light absorption. Furthermore, it was demonstrated that the charge transfer and separation in the formed heterojunction were significantly improved compared with pristine TiO_2. The prepared heterojunction was used as a photoanode, exhibiting much improved photoelectrochemical capability and excellent photo-stability under solar light illumination. The photoelectrocatalytic activities of prepared heterojunction were demonstrated by degradation of RhB and phenol in aqueous solution. The kinetic constants of RhB and phenol degradation using prepared photoelectrode are 2.4 times and 4.9 times higher than those of pristine TiO_2, respectively. Moreover, hydroxyl radicals are demonstrated to be dominant active radicals during the pollutants degradation.

Collision cascades enhanced hydrogen redistribution in cobalt implanted hydrogenated diamond-like carbon films

International Nuclear Information System (INIS)

Gupta, P.; Becker, H.-W.; Williams, G.V.M.; Hübner, R.; Heinig, K.-H.; Markwitz, A.

2017-01-01

Highlights: • This paper reports for the first time redistribution of hydrogen atoms in diamond like carbon thin films during ion implantation of low energy magnetic ions. • The results point towards new routes of controlling the composition and distribution of elements at the nanoscale within a base matrix without using any heat treatment methods. • Exploring these opportunities can lead to a new horizon of materials and device engineering needed for enabling advanced technologies and applications. - Abstract: Hydrogenated diamond-like carbon films produced by C_3H_6 deposition at 5 kV and implanted at room temperature with 30 keV Co atoms to 12 at.% show not only a bimodal distribution of Co atoms but also a massive redistribution of hydrogen in the films. Resonant nuclear reaction analysis was used to measure the hydrogen depth profiles (15N-method). Depletion of hydrogen near the surface was measured to be as low as 7 at.% followed by hydrogen accumulation from 27 to 35 at.%. A model is proposed considering the thermal energy deposited by collision cascade for thermal insulators. In this model, sufficient energy is provided for dissociated hydrogen to diffuse out of the sample from the surface and diffuse into the sample towards the interface which is however limited by the range of the incoming Co ions. At a hydrogen concentration of ∼35 at.%, the concentration gradient of the mobile unbounded hydrogen atoms is neutralised effectively stopping diffusion towards the interface. The results point towards new routes of controlling the composition and distribution of elements at the nanoscale within a base matrix without using any heat treatment methods. Exploring these opportunities can lead to a new horizon of materials and device engineering needed for enabling advanced technologies and applications.

Collision cascades enhanced hydrogen redistribution in cobalt implanted hydrogenated diamond-like carbon films

Energy Technology Data Exchange (ETDEWEB)

Gupta, P. [National Isotope Centre, GNS Science, Lower Hutt (New Zealand); The MacDiarmid Institute for Advanced Materials and Nanotechnology, School of Chemical and Physical Sciences, Victoria University of Wellington, Wellington (New Zealand); Becker, H.-W. [RUBION, Ruhr-University Bochum (Germany); Williams, G.V.M. [The MacDiarmid Institute for Advanced Materials and Nanotechnology, School of Chemical and Physical Sciences, Victoria University of Wellington, Wellington (New Zealand); Hübner, R.; Heinig, K.-H. [Institute of Ion Beam Physics and Materials Research, Helmholtz-Zentrum Dresden-Rossendorf (Germany); Markwitz, A., E-mail: a.markwitz@gns.cri.nz [National Isotope Centre, GNS Science, Lower Hutt (New Zealand); The MacDiarmid Institute for Advanced Materials and Nanotechnology, School of Chemical and Physical Sciences, Victoria University of Wellington, Wellington (New Zealand)

2017-03-01

Highlights: • This paper reports for the first time redistribution of hydrogen atoms in diamond like carbon thin films during ion implantation of low energy magnetic ions. • The results point towards new routes of controlling the composition and distribution of elements at the nanoscale within a base matrix without using any heat treatment methods. • Exploring these opportunities can lead to a new horizon of materials and device engineering needed for enabling advanced technologies and applications. - Abstract: Hydrogenated diamond-like carbon films produced by C{sub 3}H{sub 6} deposition at 5 kV and implanted at room temperature with 30 keV Co atoms to 12 at.% show not only a bimodal distribution of Co atoms but also a massive redistribution of hydrogen in the films. Resonant nuclear reaction analysis was used to measure the hydrogen depth profiles (15N-method). Depletion of hydrogen near the surface was measured to be as low as 7 at.% followed by hydrogen accumulation from 27 to 35 at.%. A model is proposed considering the thermal energy deposited by collision cascade for thermal insulators. In this model, sufficient energy is provided for dissociated hydrogen to diffuse out of the sample from the surface and diffuse into the sample towards the interface which is however limited by the range of the incoming Co ions. At a hydrogen concentration of ∼35 at.%, the concentration gradient of the mobile unbounded hydrogen atoms is neutralised effectively stopping diffusion towards the interface. The results point towards new routes of controlling the composition and distribution of elements at the nanoscale within a base matrix without using any heat treatment methods. Exploring these opportunities can lead to a new horizon of materials and device engineering needed for enabling advanced technologies and applications.

Crystallo-chemistry of actinide nitrides (U1-yPuy)N and effect of impurities

International Nuclear Information System (INIS)

Beauvy, M.; Coulon-Picard, E.; Pelletier, M.

2004-01-01

Investigations on actinide nitrides has been done in our Laboratories for Fast Breeder Reactors since the seventies and some properties are reported to show the interest for these fuels. Today, the actinide nitrides are reconsidered as possible fuels for the future fission reactors (GFR and LMFR selected by the international forum Generation IV). The results of new investigations on crystal structure of mixed mono-nitrides (U,Pu)N, and the effects of oxygen and carbon contaminations on this structure are presented. The cubic 'NaCl-fcc' type structure of actinide nitrides AnN with space group O5/h-Fm3m does not respect the 'Vegard law' model for the mixed nitrides (U 1-y Pu y )N. These nitrides are usually considered with strong metallic character associated with partial ionic bonding, but the ionic contribution in the An-N bonding determined in this work is very important and near 41.6% for UN and PuN. From results published on resistivity of mixed nitrides, the data on bonding must be also modified for partial covalence. This is in good agreement with the experimental lattice parameters which are not compatible with dominant metallic bonding. The numbers of bonding electrons in the nitrides (U 1-y Pu y )N are reevaluated and the low values proposed comparatively with those previously published confirm the strong ionic character with high concentration of An 3+ ions. The solubility of oxygen and carbon in actinide nitrides (U 1-y Pu y )N are discussed from measurements on volume concentration of actinide oxide phase, total oxygen and carbon contents, and lattice parameter of nitrides. The oxygen solubility limit in UN is near 1000 ppm, with a lightly higher value of 1200 ppm for the mixed nitride (U 0.8 Pu 0.2 )N. The effects of oxygen or carbon atoms in the lattice of (U 1-y Pu y )N are analysed

Hydrogenation of carbon to methane in reduced sponge iron, chromium, and ferrochromium

Energy Technology Data Exchange (ETDEWEB)

Qayyum, M A; Reeve, D A

1976-01-01

Hydrogenation of excess carbon to methane in reduced sponge iron, chromium and ferrochromium under isothermal and temperature-programmed conditions indicates that it is possible to control the residual carbon content of the metallized products which may be an advantage if further processing of the products is contemplated. Hydrogenation starts above 800/sup 0/C and a shrinking-core kinetic model fits the experimental data. The mean apparent activation energy for the hydrogenation of residual carbon to methane in sponge iron, chromium and ferrochromium is 21 kcal/mole.

Preparation and study of the nitrides and mixed carbide-nitrides of uranium and of plutonium

International Nuclear Information System (INIS)

Anselin, F.

1966-06-01

A detailed description is given of a simple method for preparing uranium and plutonium nitrides by the direct action of nitrogen under pressure at moderate temperatures (about 400 C) on the partially hydrogenated bulk metal. It is shown that there is complete miscibility between the UN and PuN phases. The variations in the reticular parameters of the samples as a function of temperature and in the presence of oxide have been used to detect and evaluate the solubility of oxygen in the different phases. A study has been made of the sintering of these nitrides as a function of the preparation conditions with or without sintering additives. A favorable but non-reproducible, effect has been found for traces of oxide. The best results were obtained for pure UN at 1600 C (96 per cent theoretical density) on condition that a well defined powder, was used. The criterion used is the integral width of the X-ray diffraction lines. The compounds UN and PuN are completely miscible with the corresponding carbides. This makes it possible to prepare carbide-nitrides of the general formula (U,Pu) (C,N) by solid-phase diffusion, at around 1400 C. The sintering of these carbide-nitrides is similar to that of the carbides if the nitrogen content is low; in particular, nickel is an efficient sintering agent. For high contents, the sintering is similar to that of pure nitrides. (author) [fr

Development of Affordable, Low-Carbon Hydrogen Supplies at an Industrial Scale

Science.gov (United States)

Roddy, Dermot J.

2008-01-01

An existing industrial hydrogen generation and distribution infrastructure is described, and a number of large-scale investment projects are outlined. All of these projects have the potential to generate significant volumes of low-cost, low-carbon hydrogen. The technologies concerned range from gasification of coal with carbon capture and storage…

Sintering uranium oxide in the reaction product of hydrogen-carbon dioxide mixtures

International Nuclear Information System (INIS)

De Hollander, W.R.; Nivas, Y.

1975-01-01

Compacted pellets of uranium oxide alone or containing one or more additives such as plutonium dioxide, gadolinium oxide, titanium dioxide, silica, and alumina are heated to 900 to 1599 0 C in the presence of a mixture of hydrogen and carbon dioxide, either alone or with an inert carrier gas and held at the desired temperature in this atmosphere to sinter the pellets. The sintered pellets are then cooled in an atmosphere having an oxygen partial pressure of 10 -4 to 10 -18 atm of oxygen such as dry hydrogen, wet hydrogen, dry carbon monoxide, wet carbon monoxide, inert gases such as nitrogen, argon, helium, and neon and mixtures of ayny of the foregoing including a mixture of hydrogen and carbon dioxide. The ratio of hydrogen to carbon dioxide in the gas mixture fed to the furnace is controlled to give a ratio of oxygen to uranium atoms in the sintered particles within the range of 1.98:1 to about 2.10:1. The water vapor present in the reaction products in the furnace atmosphere acts as a hydrolysis agent to aid removal of fluoride should such impurity be present in the uranium oxide. (U.S.)

Extraction of Carbon Dioxide and Hydrogen from Seawater and Hydrocarbon Production Therefrom

Science.gov (United States)

2016-04-05

acidification of seawater by subjecting the seawater to an ion exchange reaction to exchange H.sup. ions for Na.sup. ions. Carbon dioxide may be...extracted from the acidified seawater. Optionally, the ion exchange reaction can be conducted under conditions which produce hydrogen as well as carbon dioxide . The carbon dioxide and hydrogen may be used to produce hydrocarbons.

Turbostratic-like carbon nitride coatings deposited by industrial-scale direct current magnetron sputtering

International Nuclear Information System (INIS)

Louring, S.; Madsen, N.D.; Berthelsen, A.N.; Christensen, B.H.; Almtoft, K.P.; Nielsen, L.P.; Bøttiger, J.

2013-01-01

Carbon nitride thin films were deposited by direct current magnetron sputtering in an industrial-scale equipment at different deposition temperatures and substrate bias voltages. The films had N/(N + C) atomic fractions between 0.2 and 0.3 as determined by X-ray photoelectron spectroscopy (XPS). Raman spectroscopy provided insight into the ordering and extension of the graphite-like clusters, whereas nanoindentation revealed information on the mechanical properties of the films. The internal compressive film stress was evaluated from the substrate bending method. At low deposition temperatures the films were amorphous, whereas the film deposited at approximately 380 °C had a turbostratic-like structure as confirmed by high-resolution transmission electron microscopy images. The turbostratic-like film had a highly elastic response when subjected to nanoindentation. When a CrN interlayer was deposited between the film and the substrate, XPS and Raman spectroscopy indicated that the turbostratic-like structure was maintained. However, it was inconclusive whether the film still exhibited an extraordinary elastic recovery. An increased substrate bias voltage, without additional heating and without deposition of an interlayer, resulted in a structural ordering, although not to the extent of a turbostratic-like structure. - Highlights: • Carbon nitride films were deposited by industrial-scale magnetron sputtering. • The deposition temperature and the substrate bias voltage were varied. • A turbostratic-like structure was obtained at an elevated deposition temperature. • The turbostratic-like film exhibited a very high elastic recovery. • The influence of a CrN interlayer on the film properties was investigated

Synthesis and characterization of boron carbon nitride films by radio frequency magnetron sputtering

Energy Technology Data Exchange (ETDEWEB)

Zhou, Z.F.; Bello, I.; Lei, M.K.; Lee, C.S.; Lee, S.T. [City Univ. of Hong Kong, Kowloon (Hong Kong). Dept. of Physics and Materials Science; Li, K.Y. [Department of Manufacturing Engineering and Engineering Management, City University of Hong Kong, Kowloon (Hong Kong)

2000-06-01

Boron carbon nitride (BCN) films were deposited on silicon substrates by radio frequency (r.f.) (13.56 MHz) magnetron sputtering from hexagonal boron nitride (h-BN) and graphite targets in an Ar-N{sub 2} gas mixture of a constant pressure of 1.0 Pa. During deposition, the substrates were maintained at a temperature of 400 C and negatively biased using a pulsed voltage with a frequency of 330 kHz. Different analysis techniques such as X-ray photoelectron spectroscopy (XPS), Auger electron spectroscopy (AES), Fourier transform infrared spectroscopy (FTIR), Raman spectroscopy, X-ray diffraction (XRD) and scanning Auger electron microscopy (SAM) were used for characterization. In addition, the mechanical and tribological properties of the films were investigated by nano-indentation and micro-scratching. The carbon concentration in the films could be adjusted by the coverage area of a graphite sheet on the h-BN target, and decreased with increasing bias voltage. It was found that the ternary compound films within the B-C-N composition triangle possessed a less ordered structure. B--N, B--C and C--N chemical bonds were established in the films, and no phase separation of graphite and h-BN occurred. At zero bias voltage, amorphous BC{sub 2}N films with atomically smooth surface could be obtained, and the microfriction coefficient was 0.11 under a normal load of 1000 {mu}N. Hardness as determined by nano-indentation was usually in the range of 10-30 GPa, whereas the Young's modulus was within 100-200 GPa. (orig.)

Hydrogen production using thermocatalytic decomposition of methane on Ni30/activated carbon and Ni30/carbon black.

Science.gov (United States)

Srilatha, K; Viditha, V; Srinivasulu, D; Ramakrishna, S U B; Himabindu, V

2016-05-01

Hydrogen is an energy carrier of the future need. It could be produced from different sources and used for power generation or as a transport fuel which mainly in association with fuel cells. The primary challenge for hydrogen production is reducing the cost of production technologies to make the resulting hydrogen cost competitive with conventional fuels. Thermocatalytic decomposition (TCD) of methane is one of the most advantageous processes, which will meet the future demand, hence an attractive route for COx free environment. The present study deals with the production of hydrogen with 30 wt% of Ni impregnated in commercially available activated carbon and carbon black catalysts (samples coded as Ni30/AC and Ni30/CB, respectively). These combined catalysts were not attempted by previous studies. Pure form of hydrogen is produced at 850 °C and volume hourly space velocity (VHSV) of 1.62 L/h g on the activity of both the catalysts. The analysis (X-ray diffraction (XRD)) of the catalysts reveals moderately crystalline peaks of Ni, which might be responsible for the increase in catalytic life along with formation of carbon fibers. The activity of carbon black is sustainable for a longer time compared to that of activated carbon which has been confirmed by life time studies (850 °C and 54 sccm of methane).

Actinide nitride ceramic transmutation fuels for the Futurix-FTA irradiation experiment

International Nuclear Information System (INIS)

Voit, St.; McClellan, K.; Stanek, Ch.; Maloy, St.

2007-01-01

solution is to switch to an atmosphere containing hydrogen buffered by either N 2 or an inert gas. Preliminary experiments have suggested that carbo thermically reducing and nitriding material in powder form more effectively removes carbon than in pellet form. The fabrication of actinide nitride fuel pellets at the Los Alamos National Laboratory (LANL) for the Futurix-FTA irradiation experiment in the Phenix reactor was performed using improved parameters for solutionisation and carbothermic reduction developed using surrogate materials. Improved powder processing techniques identified in previous work were used as the foundation for the process parameter development for the Futurix-FTA fabrication; however, several differences exist between the Futurix-FTA and previous actinide nitride fabrications. These differences are discussed along with the resolution path leading to fuel pellet production. (authors)

Broccoli-like porous carbon nitride from ZIF-8 and melamine for high performance supercapacitors

Science.gov (United States)

Cai, Chenglong; Zou, Yongjin; Xiang, Cuili; Chu, Hailiang; Qiu, Shujun; Sui, Qingli; Xu, Fen; Sun, Lixian; Shah, Afzal

2018-05-01

Broccoli-like porous carbon nitride is synthesized by simple one-step carbonization of a composite comprising a Zn-based zeolitic imidazolate framework (ZIF-8) and melamine. The introduction of melamine into the ZIF-8 framework not only increases the N content of the composite and the surface area of the carbonization product, but also induces the formation of a flower-like structure. The carbon obtained from the ZIF-8/melamine composite by the proposed carbonization process at a temperature of 800 °C (ZM-C-800) is found to have a unique three-dimensional broccoli-like shape, a nanoscale size, and an extremely high doping N content (28.3 at.%). These properties substantially improve the electrochemical performance of ZM-C-800, as represented by a high specific capacitance of 359.1 F g-1 at a current density of 1 A g-1, much higher than that of ZIF-8. Furthermore, a symmetric supercapacitor fabricated with two ZM-C-800 electrodes exhibits a power density of 498.5 W kg-1 for an energy density of 11.4 Wh kg-1. This indicates the strong potential of ZM-C-800 for use in the fabrication of energy storage devices.

Photobiological hydrogen production and carbon dioxide sequestration

Science.gov (United States)

Berberoglu, Halil

Photobiological hydrogen production is an alternative to thermochemical and electrolytic technologies with the advantage of carbon dioxide sequestration. However, it suffers from low solar to hydrogen energy conversion efficiency due to limited light transfer, mass transfer, and nutrient medium composition. The present study aims at addressing these limitations and can be divided in three parts: (1) experimental measurements of the radiation characteristics of hydrogen producing and carbon dioxide consuming microorganisms, (2) solar radiation transfer modeling and simulation in photobioreactors, and (3) parametric experiments of photobiological hydrogen production and carbon dioxide sequestration. First, solar radiation transfer in photobioreactors containing microorganisms and bubbles was modeled using the radiative transport equation (RTE) and solved using the modified method of characteristics. The study concluded that Beer-Lambert's law gives inaccurate results and anisotropic scattering must be accounted for to predict the local irradiance inside a photobioreactor. The need for accurate measurement of the complete set of radiation characteristics of microorganisms was established. Then, experimental setup and analysis methods for measuring the complete set of radiation characteristics of microorganisms have been developed and successfully validated experimentally. A database of the radiation characteristics of representative microorganisms have been created including the cyanobacteria Anabaena variabilis, the purple non-sulfur bacteria Rhodobacter sphaeroides and the green algae Chlamydomonas reinhardtii along with its three genetically engineered strains. This enabled, for the first time, quantitative assessment of the effect of genetic engineering on the radiation characteristics of microorganisms. In addition, a parametric experimental study has been performed to model the growth, CO2 consumption, and H 2 production of Anabaena variabilis as functions of

Hydrogen evolution from water using solid carbon and light energy

Energy Technology Data Exchange (ETDEWEB)

Kawai, T; Sakata, T

1979-11-15

Hydrogen is produced from water vapour and solid carbon when mixed powders of TiO2, RuO2 and active carbon exposed to water vapor at room temperature, or up to 80 C, are illuminated. At 80 C, the rate of CO and COat2 formation increased. Therefore solar energy would be useful here as a combination of light energy and heat energy. Oxygen produced on the surface of the photocatalyst has a strong oxidising effect on the carbon. It is suggested that this process could be used for coal gasification and hydrogen production from water, accompanied by storage of solar energy.

Process for producing ceramic nitrides anc carbonitrides and their precursors

Science.gov (United States)

Brown, G.M.; Maya, L.

1987-02-25

A process for preparing ceramic nitrides and carbon nitrides in the form of very pure, fine particulate powder. Appropriate precursors is prepared by reaching a transition metal alkylamide with ammonia to produce a mixture of metal amide and metal imide in the form of an easily pyrolyzable precipitate.

Electrochemical Hydrogen Storage in Facile Synthesized Co@N-Doped Carbon Nanoparticle Composites.

Science.gov (United States)

Zhou, Lina; Qu, Xiaosheng; Zheng, Dong; Tang, Haolin; Liu, Dan; Qu, Deyang; Xie, ZhiZhong; Li, Junsheng; Qu, Deyu

2017-11-29

A Co@nitrogen-doped carbon nanoparticle composite was synthesized via a facile molecular self-assembling procedure. The material was used as the host for the electrochemical storage of hydrogen. The hydrogen storage capacity of the material was over 300 mAh g -1 at a rate of 100 mAg -1 . It also exhibited superior stability for storage of hydrogen, high rate capability, and good cyclic life. Hybridizing metallic cobalt nanoparticle with nitrogen-doped mesoporous carbon is found to be a good approach for the electrochemical storage of hydrogen.

Hydrogen storage in carbon nano-materials. Elaboration, characterization and properties

International Nuclear Information System (INIS)

Luxembourg, D.

2004-10-01

This work deals with hydrogen storage for supplying fuel cells. Hydrogen storage by adsorption in carbon nano-tubes and nano-fibers is a very controversial issue because experimental results are very dispersed and adsorption mechanisms are not yet elucidated. Physi-sorption cannot explain in fact all the experimental results. All the potential adsorption sites, physical and chemical, are discussed as detailed as possible in a state of the art. Experimental works includes the steps of elaboration, characterization, and measurements of the hydrogen storage properties. Nano-fibers are grown using a CVD approach. Single wall carbon nano-tubes (SWNT) synthesis is based on the vaporization/condensation of a carbon/catalysts mixture in a reactor using a fraction of the available concentrated solar energy at the focus of the 1000 kW solar facility of IMP-CNRS at Odeillo. Several samples are produced using different synthesis catalysts (Ni, Co, Y, Ce). SWNT samples are purified using oxidative and acid treatments. Hydrogen storage properties of these materials are carefully investigated using a volumetric technique. The applied pressure is up to 6 MPa and the temperature is 253 K. Hydrogen uptake of the investigated materials are less than 1 % wt. at 253 K and 6 MPa. (author)

Optimization of Nano-Carbon Materials for Hydrogen Sorption

Energy Technology Data Exchange (ETDEWEB)

Yakobson, Boris I [Rice University

2013-08-02

Research undertaken has added to the understanding of several critical areas, by providing both negative answers (and therefore eliminating expensive further studies of unfeasible paths) and positive feasible options for storage. Theoretical evaluation of the early hypothesis of storage on pure carbon single wall nanotubes (SWNT) has been scrutinized with the use of comprehensive computational methods (and experimental tests by the Center partners), and demonstrated that the fundamentally weak binding energy of hydrogen is not sufficiently enhanced by the SWNT curvature or even defects, which renders carbon nanotubes not practical media. More promising direction taken was towards 3-dimensional architectures of high porosity where concurrent attraction of H2 molecule to surrounding walls of nano-scale cavities can double or even triple the binding energy and therefore make hydrogen storage feasible even at ambient or somewhat lower temperatures. An efficient computational tool has been developed for the rapid capacity assessment combining (i) carbon-foam structure generation, (ii) accurate empirical force fields, with quantum corrections for the lightweight H2, and (iii) grand canonical Monte Carlo simulation. This made it possible to suggest optimal designs for carbon nanofoams, obtainable via welding techniques from SWNT or by growth on template-zeolites. As a precursor for 3D-foams, we have investigated experimentally the synthesis of VANTA (Vertically Aligned NanoTube Arrays). This can be used for producing nano-foams. On the other hand, fluorination of VANTA did not show promising increase of hydrogen sorption in several tests and may require further investigation and improvements. Another significant result of this project was in developing a fundamental understanding of the elements of hydrogen spillover mechanisms. The benefit of developed models is the ability to foresee possible directions for further improvement of the spillover mechanism.

Optical property of silicon quantum dots embedded in silicon nitride by thermal annealing

Energy Technology Data Exchange (ETDEWEB)

Kim, Baek Hyun, E-mail: bhkim@andrew.cmu.ed [Department of Materials Science and Engineering, Carnegie Mellon University, Pittsburgh, PA 15213, United Sates (United States); Davis, Robert F. [Department of Materials Science and Engineering, Carnegie Mellon University, Pittsburgh, PA 15213, United Sates (United States); Park, Seong-Ju [Nanophotonic Semiconductors Laboratory, Department of Materials Science and Engineering, Gwangju Institute of Science and Technology, Gwangju, 500-712 (Korea, Republic of)

2010-01-01

We present the effects on the thermal annealing of silicon quantum dots (Si QDs) embedded in silicon nitride. The improved photoluminescence (PL) intensities and the red-shifted PL spectra were obtained with annealing treatment in the range of 700 to 1000 {sup o}C. The shifts of PL spectra were attributed to the increase in the size of Si QDs. The improvement of the PL intensities was also attributed to the reduction of point defects at Si QD/silicon nitride interface and in the silicon nitride due to hydrogen passivation effects.

Compositional analysis of silicon oxide/silicon nitride thin films

Directory of Open Access Journals (Sweden)

Meziani Samir

2016-06-01

Full Text Available Hydrogen, amorphous silicon nitride (SiNx:H abbreviated SiNx films were grown on multicrystalline silicon (mc-Si substrate by plasma enhanced chemical vapour deposition (PECVD in parallel configuration using NH3/SiH4 gas mixtures. The mc-Si wafers were taken from the same column of Si cast ingot. After the deposition process, the layers were oxidized (thermal oxidation in dry oxygen ambient environment at 950 °C to get oxide/nitride (ON structure. Secondary ion mass spectroscopy (SIMS, Rutherford backscattering spectroscopy (RBS, Auger electron spectroscopy (AES and energy dispersive X-ray analysis (EDX were employed for analyzing quantitatively the chemical composition and stoichiometry in the oxide-nitride stacked films. The effect of annealing temperature on the chemical composition of ON structure has been investigated. Some species, O, N, Si were redistributed in this structure during the thermal oxidation of SiNx. Indeed, oxygen diffused to the nitride layer into Si2O2N during dry oxidation.

Fundamental characterization of the effect of nitride sidewall spacer process on boron dose loss in ultra-shallow junction formation

Energy Technology Data Exchange (ETDEWEB)

Kohli, P. [Silicon Technology Development, Texas Instruments, Dallas, TX 75243 (United States) and Microelectronics Research Center, University of Texas, Austin, TX 78758 (United States)]. E-mail: puneet.kohli@sematech.org; Chakravarthi, S. [Silicon Technology Development, Texas Instruments, Dallas, TX 75243 (United States); Jain, Amitabh [Silicon Technology Development, Texas Instruments, Dallas, TX 75243 (United States); Bu, H. [Silicon Technology Development, Texas Instruments, Dallas, TX 75243 (United States); Mehrotra, M. [Silicon Technology Development, Texas Instruments, Dallas, TX 75243 (United States); Dunham, S.T. [Department of Electrical Engineering, University of Washington, Seattle, WA 98195 (United States); Banerjee, S.K. [Microelectronics Research Center, University of Texas, Austin, TX 78758 (United States)

2004-12-15

A nitride spacer with an underlying deposited tetraethoxysilane (TEOS) oxide that behaves as a convenient etch stop layer is a popular choice for sidewall spacer in modern complementary metal oxide semiconductor (CMOS) process flows. In this work, we have investigated the effect of the silicon nitride spacer process chemistry on the boron profile in silicon and the related dose loss of B from Si into silicon dioxide. This is reflected as a dramatic change in the junction depth, junction abruptness and junction peak concentration for the different nitride chemistries. We conclude that the silicon nitride influences the concentration of hydrogen in the silicon dioxide and different nitride chemistries result in different concentrations of hydrogen in the silicon dioxide during the final source/drain anneal. The presence of H enhances the diffusivity of B in the silicon dioxide and thereby results in a significant dose loss from the Si into the silicon dioxide. In this work, we show that this dose loss can be minimized and the junction profile engineered by choosing a desirable nitride chemistry.

Hydrogen Adsorption on Activated Carbon an Carbon Nanotubes Using Volumetric Differential Pressure Technique

Science.gov (United States)

Sanip, S. M.; Saidin, M. A. R.; Aziz, M.; Ismail, A. F.

2010-03-01

A simple hydrogen adsorption measurement system utilizing the volumetri differential pressure technique has been designed, fabricated and calibrated. Hydroge adsorption measurements have been carried out at temperatures 298 K and 77 K on activate carbon and carbon nanotubes with different surface areas. The adsorption data obtained will b helpful in understanding the adsorption property of the studied carbon materials using th fundamentals of adsorption theory. The principle of the system follows the Sievert-type metho The system measures a change in pressure between the reference cell, R1 and the sample cell S1, S2, S3 over a certain temperature range. R1, S1, S2, and S3 having known fixed volume The sample temperatures will be monitored by thermocouple TC while the pressures in R1 an S1, S2, S3 will be measured using a digital pressure transducer. The maximum operatin pressure of the pressure transducer is 20 bar and calibrated with an accuracy of ±0.01 bar. Hig purity hydrogen is being used in the system and the amount of samples for the study is betwee 1.0-2.0 grams. The system was calibrated using helium gas without any samples in S1, S2 an S3. This will provide a correction factor during the adsorption process providing an adsorption free reference point when using hydrogen gas resulting in a more accurate reading of th adsorption process by eliminating the errors caused by temperature expansion effects and oth non-adsorption related phenomena. The ideal gas equation of state is applied to calculate th hydrogen adsorption capacity based on the differential pressure measurements. Activated carbo with a surface area of 644.87 m2/g showed a larger amount of adsorption as compared to multiwalled nanotubes (commercial) with a surface area of 119.68 m2/g. This study als indicated that there is a direct correlation between the amounts of hydrogen adsorbed an surface area of the carbon materials under the conditions studied and that the adsorption significant at 77

Improving hydrogen storage in Ni-doped carbon nanospheres

Energy Technology Data Exchange (ETDEWEB)

Zubizarreta, L.; Menendez, J.A.; Pis, J.J.; Arenillas, A. [Instituto Nacional del Carbon, CSIC, Apartado 73, 33080 Oviedo (Spain)

2009-04-15

The effect of nickel distribution and content in Ni-doped carbon nanospheres on hydrogen storage capacity under conditions of moderate temperature and pressure was studied. It was found that the nickel distribution, obtained by using different doping techniques and conditions, has a noticeable influence on hydrogen storage capacity. The samples with the most homogeneous nickel distribution, obtained by pre-oxidising the carbon nanospheres, displayed the highest storage capacity. In addition, storage capacity is influenced by the amount of nickel. It was found a higher storage capacity in samples containing 5 wt.% of Ni. This is due to the greater interactions between the nickel and the support that produce a higher activation of the solid through a spillover effect. (author)

Mechanisms of hydrogen retention in metallic beryllium and beryllium oxide and properties of ion-induced beryllium nitride

International Nuclear Information System (INIS)

Oberkofler, Martin

2011-01-01

In the framework of this thesis laboratory experiments on atomically clean beryllium surfaces were performed. They aim at a basic understanding of the mechanisms occurring upon interaction of a fusion plasma with a beryllium first wall. The retention and the temperature dependent release of implanted deuterium ions are investigated. An atomistic description is developed through simulations and through the comparison with calculations based on density functional theory. The results of these investigations are compared to the behaviour of hydrogen upon implantation into thermally grown beryllium oxide layers. Furthermore, beryllium nitride is produced by implantation of nitrogen into metallic beryllium and its properties are investigated. The results are interpreted with regard to the use of beryllium in a fusion reactor. (orig.)

Plasma nitriding - an eco friendly surface hardening process

International Nuclear Information System (INIS)

Mukherjee, S.

2015-01-01

Surface hardening is a process of heating the metal such that the surface gets only hardened. This process is adopted for many components like gears, cams, and crankshafts, which desire high hardness on the outer surface with a softer core to withstand the shocks. So, to attain such properties processes like carburising, nitriding, flame hardening and induction hardening are employed. Amongst these processes nitriding is the most commonly used process by many industries. In nitriding process the steel material is heated to a temperature of around 550 C and then exposed to atomic nitrogen. This atomic nitrogen reacts with iron and other alloying elements and forms nitrides, which are very hard in nature. By this process both wear resistance and hardness of the product can be increased. The atomic nitrogen required for this process can be obtained using ammonia gas (gas nitriding), cyanide based salt bath (liquid nitriding) and plasma medium (plasma nitriding). However, plasma nitriding has recently received considerable industrial interest owing to its characteristic of faster nitrogen penetration, short treatment time, low process temperature, minimal distortion, low energy use and easier control of layer formation compared with conventional techniques such as gas and liquid nitriding. This process can be used for all ferrous materials including stainless steels. Plasma nitriding is carried out using a gas mixture of nitrogen and hydrogen gas at sub atmospheric pressures hence, making it eco-friendly in nature. Plasma nitriding allows modification of the surface layers and hardness profiles by changing the gas mixture and temperature. The wide applicable temperature range enables a multitude of applications, beyond the possibilities of gas or salt bath processes. This has led to numerous applications of this process in industries such as the manufacture of machine parts for plastics and food processing, packaging and tooling as well as pumps and hydraulic, machine

Release of hydrogen isotopes from carbon based fusion reactor materials

International Nuclear Information System (INIS)

Vainonen-Ahlgren, E.

2000-01-01

The purpose of this study is to understand the annealing behavior of hydrogen isotopes in carbon based materials. Also, the density of the material and structural changes after thermal treatment and ion irradiation are examined. The study of hydrogen diffusion in diamondlike carbon films revealed an activation energy of 2.0 eV, while the deuterium diffusion, due to better measuring sensitivity, is found to be concentration dependent with the effective diffusion coefficient becoming smaller with decreasing deuterium concentration. To explain the experimentally observed profiles, a model according to which atomic deuterium diffuses and deuterium in clusters is immobile is developed. The concentration of immobile D was assumed to be an analytical function of the total D concentration. To describe the annealing behavior of D incorporated in diamondlike carbon films during the deposition process, a model taking into account diffusion of free D and thermal detrapping and trapping of D was developed. The difference in the analysis explains the disagreement of activation energy (1.5 ± 0.2 eV) with the value of 2,9± 0.1 eV obtained for D implanted samples earlier. The same model was applied to describe the experimental profiles in Si doped diamondlike carbon films. Si affects the retention of D in diamondlike carbon films. The amount of D depends on Si content in the co-deposited but not implanted samples. Besides, Si incorporation into carbon coating decreases to some extent the graphitization of the films and leads to formation of a structure which is stable under thermal treatment and ion irradiation. Hydrogen migration in the hydrogen and methane co-deposited films was also studied. In samples produced in methane atmosphere and annealed at different temperatures, the hydrogen concentration level decreases in the bulk, with more pronounced release at the surface region. In the case of coatings deposited by a methane ion beam, the H level also decreases with increasing

Determination of Hydrogen and Carbon contents in crude oil and Petroleum fractions by NMR Spectroscopy

International Nuclear Information System (INIS)

Khadim, Mohammad A.; Wolny, R.A.; Al-Dhuwaihi, Abdullah S.; Al-Hajri, E.A.; Al-Ghamdi, M.A.

2003-01-01

Proton and carbon-13 NMR spectroscopic methods were developed for determining hydrogen and carbon contents in petroleum products. These methods are applicable to a wide of petroleum streams. A new reference standard, bis (trimethylsilyl) methane, BTMSM, is introduced fro both proton and carbon-13 NMR for the first time, which offers several advantages over those customarily employed. These methods are important for the calculation of the mass balance and hydrogen consumption in pilot plant studies. Unlike the ASTM D-5291 combustion method, the NMR methods also allow for the measurement of hydrogen and carbon content in low boiling fractions and those containing hydrogen as low as 1%. The NMR methods can also determine aromatic and aliphatic hydrogens carbons in a given sample without additional experimentation. The precision and accuracy of the newly developed NMR methods are compared with those of currently employed ASTM D-5291 combustion method. Using the proton NMR method, hydrogen content was determined in fifteen model compounds and sixty-eight petroleum fractions. The NMR and ASTM methods show an agreement within +5%for 48 out of a total number of 68 oil fractions. Using carbon-13 NMR, the carbon content was determined for four representative compounds and three fractions of crude oil. Both carbon-13 NMR and ASTM methods give comparable carbon content in model compounds and crude oil fractions. (author)

Hydrogen storage in sonicated carbon materials

NARCIS (Netherlands)

Hirscher, M.; Becher, M.; Haluska, M.; Dettlaff-Weglikowska, U.; Quintel, A.; Duesberg, G.S.; Choi, Y.J.; Downes, P.; Hulman, M.; Roth, S.; Stepanek, I.; Bernier, P.

2001-01-01

The hydrogen storage in purified single-wall carbon nanotubes (SWNTs), graphite and diamond powder was investigated at room temperature and ambient pressure. The samples were sonicated in 5 M HNO3 for various periods of time using an ultrasonic probe of the alloy Ti-6Al-4V. The goal of this

40 CFR 415.330 - Applicability; description of the carbon monoxide and by-product hydrogen production subcategory.

Science.gov (United States)

2010-07-01

... carbon monoxide and by-product hydrogen production subcategory. 415.330 Section 415.330 Protection of... MANUFACTURING POINT SOURCE CATEGORY Carbon Monoxide and By-Product Hydrogen Production Subcategory § 415.330 Applicability; description of the carbon monoxide and by-product hydrogen production subcategory. The provisions...

Hydrogen role in a carbon-free energy mix

International Nuclear Information System (INIS)

2014-02-01

Among the energy storage technologies under development today, there is today an increasing interest towards the hydrogen-based ones. Hydrogen generation allows to store electricity, while its combustion can supply electrical, mechanical or heat energy. The French Atomic Energy Commission (CEA) started to work on hydrogen technologies at the end of the 1990's in order to reinforce its economical interest. The development of these technologies is one of the 34 French industrial programs presented in September 2013 by the French Minister of productive recovery. This paper aims at identifying the hydrogen stakes in a carbon-free energy mix and at highlighting the remaining technological challenges to be met before reaching an industrial development level

Study on hydrogen transfer in coal liquefaction by tritium and carbon-14 tracers

International Nuclear Information System (INIS)

Nitoh, Osamu; Kabe, Toshiaki; Kabe, Yaeko.

1985-01-01

For the analysis of mechanism of hydrogenation and cracking of coal, the liquefaction of Taiheiyo coal using tritium labeled gaseous hydrogen and tritium labeled tetralin with small amounts of carbon-14 labeled naphthalene has been studied. Taiheiyo coal(25g) was thermally decomposed in tetralin or naphthalene solvent(75g) at 400--440 0 C under the initial hydrogen pressure of 5.9MPa for 30min with Ni-Mo-Al 2 O 3 catalyst(0--5g). The reaction mixture in an autoclave was separated by filtration, distillation and solvent extraction. Produced gas, oils and the solvent were analyzed by gas chromatography. The tritium and carbon-14 contents of separated reaction products were measured with a liquid scintilation counter to study the hydrogen transfer mechanism. The distribution of reaction products and the amount of hydrogen transfer from gas or solvent to the products were also determined. In hydrogen donor solvent such as tetralin, the coal liquefaction yield was independent from the catalyst, but the catalyst was effective in hydrocracking of preasphaltene and asphaltene. In naphthalene solvent, the coal liquefaction reaction hardly occured in the absence of the catalyst, because hydrogen transfer from both the solvent and gaseous hydrogen was scarce. Tritium distribution in the reaction products showed that complicated hydrogen exchange reactions between gaseous hydrogen, coal liquids and solvent came out by the presence of coal liquids and catalyst. The very small amounts of carbon-14 transferred to the liquefaction products showed that carbon exchange or transfer between solvent and coal did not take place. (author)

Borazine-boron nitride hybrid hydrogen storage system

Science.gov (United States)

Narula, Chaitanya K [Knoxville, TN; Simonson, J Michael [Knoxville, TN; Maya, Leon [Knoxville, TN; Paine, Robert T [Albuquerque, NM

2008-04-22

A hybrid hydrogen storage composition includes a first phase and a second phase adsorbed on the first phase, the first phase including BN for storing hydrogen by physisorption and the second phase including a borazane-borazine system for storing hydrogen in combined form as a hydride.

III-Nitride Membranes for Thermal Bio-Sensing and Solar Hydrogen Generation

KAUST Repository

Elafandy, Rami Tarek Mahmoud

2017-09-01

III-nitride nanostructures have generated tremendous scientific and technological interests in studying and engineering their low dimensional physics phenomena. Among these, 2D planar, free standing III-nitride nanomembranes are unrivalled in their scalability for high yield manufacture and can be mechanically manipulated. Due to the increase in their surface to volume ratio and the manifestation of quantum phenomena, these nanomembranes acquire unique physical properties. Furthermore, III-nitride membranes are chemically stable and biocompatible. Finally, nanomembranes are highly flexible and can follow curvilinear surfaces present in biological systems. However, being free-standing, requires especially new techniques for handling nanometers or micrometers thick membrane devices. Furthermore, effectively transferring these membrane devices to other substrates is not a direct process which requires the use of photoresists, solvents and/or elastomers. Finally, as the membranes are transferred, they need to be properly attached for subsequent device fabrications, which often includes spin coating and rinsing steps. These engineering complications have impeded the development of novel devices based on III-nitride membranes. In this thesis, we demonstrate the versatility of III-nitride membranes where we develop a thermal bio-sensor nanomembrane and solar energy photo-anode membrane. First, we present a novel preparation technique of nanomembranes with new characteristics; having no threading dislocation cores. We then perform optical characterization to reveal changes in their defect densities compared to the bulk crystal. We also study their mechanical properties where we successfully modulate their bandgap emission by 55 meV through various external compressive and tensile strain fields. Furthermore, we characterize the effect of phonon-boundary scattering on their thermal properties where we report a reduction of thermal conductivity from 130 to 9 W/mK. We employ

Electrospun zeolite-templated carbon composite fibres for hydrogen storage applications

CSIR Research Space (South Africa)

Annamalai, Perushini

2017-01-01

Full Text Available -defined hierarchical pore structure. The study involved encapsulation of highly porous zeolite-templated carbon (ZTC) into electrospun fibres and testing of the resulting composites for hydrogen storage. The hydrogen storage capacity of the composite fibres was 1...

Highly efficient cobalt-doped carbon nitride polymers for solvent-free selective oxidation of cyclohexane

Directory of Open Access Journals (Sweden)

Yu Fu

2017-04-01

Full Text Available Selective oxidation of saturated hydrocarbons with molecular oxygen has been of great interest in catalysis, and the development of highly efficient catalysts for this process is a crucial challenge. A new kind of heterogeneous catalyst, cobalt-doped carbon nitride polymer (g-C3N4, was harnessed for the selective oxidation of cyclohexane. X-ray diffraction, Fourier transform infrared spectra and high resolution transmission electron microscope revealed that Co species were highly dispersed in g-C3N4 matrix and the characteristic structure of polymeric g-C3N4 can be retained after Co-doping, although Co-doping caused the incomplete polymerization to some extent. Ultraviolet–visible, Raman and X-ray photoelectron spectroscopy further proved the successful Co doping in g-C3N4 matrix as the form of Co(IIN bonds. For the selective oxidation of cyclohexane, Co-doping can markedly promote the catalytic performance of g-C3N4 catalyst due to the synergistic effect of Co species and g-C3N4 hybrid. Furthermore, the content of Co largely affected the activity of Co-doped g-C3N4 catalysts, among which the catalyst with 9.0 wt% Co content exhibited the highest yield (9.0% of cyclohexanone and cyclohexanol, as well as a high stability. Meanwhile, the reaction mechanism over Co-doped g-C3N4 catalysts was elaborated. Keywords: Selective oxidation of cyclohexane, Oxygen oxidant, Carbon nitride, Co-doping

New Routes to Lanthanide and Actinide Nitrides

Energy Technology Data Exchange (ETDEWEB)

Butt, D.P.; Jaques, B.J.; Osterberg, D.D. [Boise State University, 1910 University Dr., Boise, Idaho 83725-2075 (United States); Marx, B.M. [Concurrent Technologies Corporation, Johnstown, PA (United States); Callahan, P.G. [Carnegie Mellon University, Pittsburgh, PA (United States); Hamdy, A.S. [Central Metallurgical R and D Institute, Helwan, Cairo (Egypt)

2009-06-15

The future of nuclear energy in the U.S. and its expansion worldwide depends greatly on our ability to reduce the levels of high level waste to minimal levels, while maintaining proliferation resistance. Implicit in the so-called advanced fuel cycle is the need for higher levels of fuel burn-up and consequential use of complex nuclear fuels comprised of fissile materials such as Pu, Am, Np, and Cm. Advanced nitride fuels comprised ternary and quaternary mixtures of uranium and these actinides have been considered for applications in advanced power plants, but there remain many processing challenges as well as necessary qualification testing. In this presentation, the advantages and disadvantages of nitride fuels are discussed. Methods of synthesizing the raw materials and sintering of fuels are described including a discussion of novel, low cost routes to nitrides that have the potential for reducing the cost and footprint of a fuel processing plant. Phase pure nitrides were synthesized via four primary methods; reactive milling metal flakes in nitrogen at room temperature, directly nitriding metal flakes in a pure nitrogen atmosphere, hydriding metal flakes prior to nitridation, and carbo-thermically reducing the metal oxide and carbon mixture prior to nitridation. In the present study, the sintering of UN, DyN, and their solid solutions (U{sub x}, Dy{sub 1-x}) (x = 1 to 0.7) were also studied. (authors)

Improved tensile and buckling behavior of defected carbon nanotubes utilizing boron nitride coating – A molecular dynamic study

Energy Technology Data Exchange (ETDEWEB)

Badjian, H.; Setoodeh, A.R., E-mail: setoodeh@sutech.ac.ir

2017-02-15

Synthesizing inorganic nanostructures such as boron nitride nanotubes (BNNTs) have led to immense studies due to their many interesting functional features such as piezoelectricity, high temperature resistance to oxygen, electrical insulation, high thermal conductivity and very long lengths as physical features. In order to utilize the superior properties of pristine and defected carbon nanotubes (CNTs), a hybrid nanotube is proposed in this study by forming BNNTs surface coating on the CNTs. The benefits of such coating on the tensile and buckling behavior of single-walled CNTs (SWCNTs) are illustrated through molecular dynamics (MD) simulations of the resulted nanostructures during the deformation. The AIREBO and Tersoff-Brenner potentials are employed to model the interatomic forces between the carbon and boron nitride atoms, respectively. The effects of chiral indices, aspect ratio, presence of mono-vacancy defects and coating dimension on coated/non-coated CNTs are examined. It is demonstrated that the coated defective CNTs exhibit remarkably enhanced ultimate strength, buckling load capacity and Young's modulus. The proposed coating not only enhances the mechanical properties of the resulted nanostructure, but also conceals it from few external factors impacting the behavior of the CNT such as humidity and high temperature.

Performance of carbon-based hot frit substrates: I, Low pressure helium and hydrogen testing

International Nuclear Information System (INIS)

Barletta, R.; Adams, J.; Svandrlik, J.; Powell, J.R.

1993-07-01

The performance of various carbon-based materials in flowing, high-temperature helium and hydrogen is described. These materials which are candidate hot frit substrates for possible application in a PBR include various grades of graphite, carbon-carbon and vitreous carbon. Vitreous carbon showed extremely good performance in helium, while that of the various graphite grades was quite variable and, in some cases, poor. Purified grades performed better than unpurified grades, but in all cases large sample-to-sample variations in weight loss were observed. For carbon-carbon samples, the performance was intermediate. Since the weight loss in these samples was in large measure due to the loss of the densification media, improvements in the performance of carbon-carbon may be possible. With respect to the performance in hydrogen, high weight losses were observed, re-enforcing the need for coating carbon-based materials for service in a flowing hydrogen environment

Direct measurements of adsorption heats of hydrogen on nano-porous carbons

International Nuclear Information System (INIS)

Akihiko Matsumoto; Kazumasa Yamamoto; Tomoyuki Miyata

2005-01-01

Since a exciting report of hydrogen storage in single-walled carbon nano-tubes by Dillon and his colleagues, nano-porous carbon materials, such as carbon nano-tubes, carbon nano-horns and micro-porous activated carbon, have attracted considerable attention as hydrogen storage materials. Adsorption plays a predominating role in the hydrogen storage process on solid surfaces. The adsorption is a spontaneous process, which is caused by interaction between gas molecules and surface, hence, it is always exothermic process and observed as adsorption heats. For this reason, direct measurement of the adsorption heats by adsorption micro-calorimetry would provide quantitative information on the strength of adsorption interaction and the adsorption mechanism. However, the adsorption amounts of hydrogen on carbon materials are far less than those of condensable vapors near room temperature due to low critical temperature of hydrogen (33.2 K), therefore, the adsorption heats can not be determined accurately at conventional measurement conditions near room temperature and the atmospheric pressure. This contribution reports the calorimetric characterization of hydrogen adsorption on nano-porous carbon materials at low temperature and high-pressure conditions. The high-pressure adsorption apparatus consists of a volumetric adsorption line connected to a twin-conduction type microcalorimeter. Activated carbon fibers (ACF, Ad'all Co.) of different micro-pore sizes (Table 1) were used as model adsorbents. Each ACF has slit-shaped micropores of uniform size. The adsorption isotherms and differential heats of adsorption at high-pressure region from 0 to 10 MPa were simultaneously measured at isothermal condition from 203 to 298 K. The adsorption isotherms on ACF were of Henry type regardless of adsorption temperature and pore width; the uptakes increased linearly with equilibrium pressure. The adsorption isotherm at lower sorption temperature tended to show higher sorptivity. The

Non-carbon titanium cobalt nitride nanotubes supported platinum catalyst with high activity and durability for methanol oxidation reaction

Science.gov (United States)

Chen, Xiaoxiang; Li, Wuyi; Pan, Zhanchang; Xu, Yanbin; Liu, Gen; Hu, Guanghui; Wu, Shoukun; Li, Jinghong; Chen, Chun; Lin, Yingsheng

2018-05-01

Titanium cobalt nitride nanotubes (Ti0.95Co0.05N NTs) hybrid support, a novel robust non-carbon support material prepared by solvothermal and post-nitriding processes, is further decorated with Pt nanoparticles for the electrooxidation of methanol. The catalyst is characterized by X-ray diffraction (XRD), nitrogen adsorption/desorption, transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS) and electrochemical measurements. The morphology, structure and composition of the synthesized Ti0.95Co0.05N NTs suggest that the nanotube wall is porous and consists of homogeneous cohesively attached nitrides nanocube particles. Notable, Ti0.95Co0.05N NTs supported Pt catalyst exhibits significantly improved catalytic activity and durability for methanol electrooxidation compared with the conventional JM Pt/C catalyst. The experimental data indicate that enhanced catalytic activity and stability of Pt/Ti0.95Co0.05N NTs towards methanol electrooxidation might be mainly attributed to the tubular nanostructures and synergistic effect introduced by the Co doping. Both of them are playing an important role in improving the activity and durability of the Ti0.95Co0.05N NTs catalyst.

Developpement d'un modele thermodynamique pour les cristallites de coke: Application aux systems carbone-hydrogene et carbone-soufre

Science.gov (United States)

Ouzilleau, Philippe

cristallite size parameters La (diameter of the crystallite) and Lc (height of the crystallite). The use of the Compound Energy Formalism is necessary to establish the methodology of the present model. Globally, the planar structure of the crystallites is divided into three sublattices on which individual chemical species are assumed to mix randomly. Appropriate thermodynamic paths are used to define the relative enthalpies and absolute entropies of these chemical species. The relative enthalpy and absolute entropy of the coke crystallites are derived for various values of La in the carbon/hydrogen and carbon/sulfur chemical systems. For the carbon/hydrogen system, the model parameters are based on the known values for the entropy of formation of simple hydrogenous organic compounds in the gaseous phase and known carbon/hydrogen bond enthalpies. Also, additional enthalpic properties of coke crystallites and graphitic structures are required for the definition of the thermodynamic paths (for example, the enthalpy associated with the delocalization of one electron in graphitic structures). Results for the carbon/hydrogen system are compared to experiments concerning the dehydrogenation of various cokes. A very satisfying agreement is obtained between the dehydrogenation curves predictively calculated by the model and the reported experimental results (obtained using slow heating rates). Most of the hydrogen content of coke crystallites (this content does not inclue the hydrogen in the condensed volatile matter phase) is predicted to leave the crystalline structure for temperatures between 1100 and 1300 K. Also, experimental measurements of the Gibbs energy of coke relative to graphite are reported. These measurements were obtained using a solid state electrochemical technique. A stabiliy of approximately 900 J g-1, relative to graphite, is reported for temperatures between 950 and 1250 K and for a crystallite size La of ˜10 nm. This value is in excellent agreement with the

Nanostructured Boron Nitride: From Molecular Design to Hydrogen Storage Application

Directory of Open Access Journals (Sweden)

Georges Moussa

2014-07-01

Full Text Available The spray-pyrolysis of borazine at 1400 °C under nitrogen generates boron nitride (BN nanoparticles (NPs. The as-prepared samples form elementary blocks containing slightly agglomerated NPs with sizes ranging from 55 to 120 nm, a Brunauer-Emmett-Teller (BET-specific surface area of 34.6 m2 g−1 and a helium density of 1.95 g cm−3. They are relatively stable in air below 850 °C in which only oxidation of the NP surface proceeds, whereas under nitrogen, their lower size affects their high temperature thermal behavior in the temperature range of 1450–2000 °C. Nitrogen heat-treated nanostructures have been carefully analyzed using X-ray diffraction, electron microscopy and energy-dispersive X-ray spectroscopy. The high temperature treatment (2000 °C gives hollow-cored BN-NPs that are strongly facetted, and after ball-milling, hollow core-mesoporous shell NPs displaying a BET-specific surface area of 200.5 m2·g−1 and a total pore volume of 0.287 cm3·g−1 were produced. They have been used as host material to confine, then destabilize ammonia borane (AB, thus improving its dehydrogenation properties. The as-formed AB@BN nanocomposites liberated H2 at 40 °C, and H2 is pure in the temperature range 40–80 °C, leading to a safe and practical hydrogen storage composite material.

Nanoconfinement in activated mesoporous carbon of calcium borohydride for improved reversible hydrogen storage.

Science.gov (United States)

Comănescu, Cezar; Capurso, Giovanni; Maddalena, Amedeo

2012-09-28

Mesoporous carbon frameworks were synthesized using the soft-template method. Ca(BH(4))(2) was incorporated into activated mesoporous carbon by the incipient wetness method. The activation of mesoporous carbon was necessary to optimize the surface area and pore size. Thermal programmed absorption measurements showed that the confinement of this borohydride into carbon nanoscaffolds improved its reversible capacity (relative to the reactive portion) and performance of hydrogen storage compared to unsupported borohydride. Hydrogen release from the supported hydride started at a temperature as low as 100 °C and the dehydrogenation rate was fast compared to the bulk borohydride. In addition, the hydrogen pressure necessary to regenerate the borohydride from the dehydrogenation products was reduced.

Interaction of hydrogen in carbon matrix with impurities of nickel

International Nuclear Information System (INIS)

Gervasoni, L L; Segui, S

2012-01-01

This work aims to define general criteria to allow theoretical and experimental design of new materials with high hydrogen content, with a view to their potential application as moderators in reactors at high temperatures and hydrogen storage materials. To this end we study the effects of Ni impurities on the properties of pure carbon (slabs as well as nanoparticles and gels) in order to analyze the thermodynamical characteristics, and improve the behavior of alloys for Ni-metal hydride rechargeable batteries. These elements are chosen because they have a wide range of solubility of hydrogen, which from the technological point of view makes them important candidates for the search for new materials. Our results show that this kind of carbon material could be used as support for hydrogen storage improving the screening charge density and the density of available states, as analyzed by the authors in previous works (author)

Hydrogen-bond acidic functionalized carbon nanotubes (CNTs) with covalently-bound hexafluoroisopropanol groups

Energy Technology Data Exchange (ETDEWEB)

Fifield, Leonard S.; Grate, Jay W.

2010-06-01

Fluorinated hydrogen-bond acidic groups are directly attached to the backbone of single walled carbon nanotubes (SWCNTs) without the introduction of intermediate electron donating surface groups. Hexafluoroalcohol functional groups are exceptionally strong hydrogen bond acids, and are added to the nanotube surface using the aryl diazonium approach to create hydrogen-bond acidic carbon nanotube (CNT) surfaces. These groups can promote strong hydrogen-bonding interactions with matrix materials in composites or with molecular species to be concentrated and sensed. In the latter case, this newly developed material is expected to find useful application in chemical sensors and in CNT-based preconcentrator devices for the detection of pesticides, chemical warfare agents and explosives.

Hydrogen adsorption on N-decorated single wall carbon nanotubes

Energy Technology Data Exchange (ETDEWEB)

Rangel, Eduardo [Instituto de Fisica, Universidad Nacional Autonoma de Mexico, Apartado Postal 20-364, Codigo Postal 01000, Mexico D.F. (Mexico); Ruiz-Chavarria, Gregorio [Instituto de Fisica, Universidad Nacional Autonoma de Mexico, Apartado Postal 20-364, Codigo Postal 01000, Mexico D.F. (Mexico); Departamento de Fisica, Facultad de Ciencias, Universidad Nacional Autonoma de Mexico Ciudad Universitaria, Codigo Postal 04510, Mexico D.F. (Mexico); Magana, L.F., E-mail: fernando@fisica.unam.m [Instituto de Fisica, Universidad Nacional Autonoma de Mexico, Apartado Postal 20-364, Codigo Postal 01000, Mexico D.F. (Mexico); Arellano, J.S. [Departamento de Ciencias Basicas, Universidad Autonoma Metropolitana, Unidad Azcapotzalco. Avenida San Pablo No. 180, Col. Reynosa Tamaulipas Codigo Postal 02200, Mexico D.F. (Mexico)

2009-07-06

Using density functional theory and molecular dynamics we found that N-decorated single walled (8,0) carbon nanotubes are potential high capacity hydrogen storage media. This system could store up to 6.0 wt% hydrogen at 300 K and ambient pressure, with average adsorption energy of -80 meV/(H{sub 2}). Nitrogen coverage was C{sub 8}N.

Hydrogen adsorption on N-decorated single wall carbon nanotubes

International Nuclear Information System (INIS)

Rangel, Eduardo; Ruiz-Chavarria, Gregorio; Magana, L.F.; Arellano, J.S.

2009-01-01

Using density functional theory and molecular dynamics we found that N-decorated single walled (8,0) carbon nanotubes are potential high capacity hydrogen storage media. This system could store up to 6.0 wt% hydrogen at 300 K and ambient pressure, with average adsorption energy of -80 meV/(H 2 ). Nitrogen coverage was C 8 N.

Hydrogen storage in nanoporous carbon materials: myth and facts.

Science.gov (United States)

Kowalczyk, Piotr; Hołyst, Robert; Terrones, Mauricio; Terrones, Humberto

2007-04-21

We used Grand canonical Monte Carlo simulation to model the hydrogen storage in the primitive, gyroid, diamond, and quasi-periodic icosahedral nanoporous carbon materials and in carbon nanotubes. We found that none of the investigated nanoporous carbon materials satisfy the US Department of Energy goal of volumetric density and mass storage for automotive application (6 wt% and 45 kg H(2) m(-3)) at considered storage condition. Our calculations indicate that quasi-periodic icosahedral nanoporous carbon material can reach the 6 wt% at 3.8 MPa and 77 K, but the volumetric density does not exceed 24 kg H(2) m(-3). The bundle of single-walled carbon nanotubes can store only up to 4.5 wt%, but with high volumetric density of 42 kg H(2) m(-3). All investigated nanoporous carbon materials are not effective against compression above 20 MPa at 77 K because the adsorbed density approaches the density of the bulk fluid. It follows from this work that geometry of carbon surfaces can enhance the storage capacity only to a limited extent. Only a combination of the most effective structure with appropriate additives (metals) can provide an efficient storage medium for hydrogen in the quest for a source of "clean" energy.

Dynamic response of a carbon nanotube-based rotary nano device with different carbon-hydrogen bonding layout

Energy Technology Data Exchange (ETDEWEB)

Yin, Hang [College of Water Resources and Architectural Engineering, Northwest A& F University, Yangling 712100 (China); Cai, Kun, E-mail: caikun1978@163.com [College of Water Resources and Architectural Engineering, Northwest A& F University, Yangling 712100 (China); Wan, Jing [College of Water Resources and Architectural Engineering, Northwest A& F University, Yangling 712100 (China); Gao, Zhaoliang, E-mail: coopcg@163.com [Institute of Soil and Water Conservation, Northwest A& F University, Yangling, 712100 (China); Chen, Zhen [State Key Laboratory of Structural Analysis for Industrial Equipment, Department of Engineering Mechanics, Faculty of Vehicle Engineering and Mechanics, Dalian University of Technology, Dalian 116024 (China)

2016-03-01

Graphical abstract: - Highlights: • The rotational transmission performance of a rotational transmission system (RTS) with different types of C−H bonding layouts on the edge of motor and rotor is investigated using MD simulation method. • The L–J interaction between covalently bonded hydrogen atoms and sp1 carbon atoms is too weak to support a stable rotational transmission when only the motor or rotor has bonded hydrogen atoms. • When both the motor and rotor have the same C−H bonding layout on their adjacent ends, a stable output rotational speed of rotor can be obtained. • A low input rotational speed (e.g., 100 GHz) would lead to a synchronous rotational transmission if the system has (+0.5H) C−H bonding layout. - Abstract: In a nano rotational transmission system (RTS) which consists of a single walled carbon nanotube (SWCNT) as the motor and a coaxially arranged double walled carbon nanotube (DWCNT) as a bearing, the interaction between the motor and the rotor in bearing, which has great effects on the response of the RTS, is determined by their adjacent edges. Using molecular dynamics (MD) simulation, the interaction is analyzed when the adjacent edges have different carbon-hydrogen (C−H) bonding layouts. In the computational models, the rotor in bearing and the motor with a specific input rotational speed are made from the same armchair SWCNT. Simulation results demonstrate that a perfect rotational transmission could happen when the motor and rotor have the same C−H bonding layout on their adjacent ends. If only half or less of the carbon atoms on the adjacent ends are bonded with hydrogen atoms, the strong attraction between the lower speed (100 GHz) motor and rotor leads to a synchronous rotational transmission. If only the motor or the rotor has C−H bonds on their adjacent ends, no rotational transmission happens due to weak interaction between the bonded hydrogen atoms on one end with the sp{sup 1} bonded carbon atoms on the other

Minimizing fouling at hydrogenated conical-tip carbon electrodes during dopamine detection in vivo.

Science.gov (United States)

Chandra, Shaneel; Miller, Anthony D; Bendavid, Avi; Martin, Philip J; Wong, Danny K Y

2014-03-04

In this paper, physically small conical-tip carbon electrodes (∼2-5 μm diameter and ∼4 μm axial length) were hydrogenated to develop a probe capable of withstanding fouling during dopamine detection in vivo. Upon hydrogenation, the resultant hydrophobic sp(3) carbon surface deters adsorption of amphiphilic lipids, proteins, and peptides present in extracellular fluid and hence minimizes electrode fouling. These hydrogenated carbon electrodes showed a 35% decrease in sensitivity but little change in the limit of detection for dopamine over a 7-day incubation in a synthetic laboratory solution containing 1.0% (v/v) caproic acid (a lipid), 0.1% (w/v) bovine serum albumin and 0.01% (w/v) cytochrome C (both are proteins), and 0.002% (w/v) human fibrinopeptide B (a peptide). Subsequently, during dopamine detection in vivo, over 70% of the dopamine oxidation current remained after the first 30 min of a 60-min experiment, and at least 50% remained over the next half-period at the hydrogenated carbon electrodes. On the basis of these results, an initial average electrode surface fouling rate of 1.2% min(-1) was estimated, which gradually declined to 0.7% min(-1). These results support minimal fouling at hydrogenated carbon electrodes applied to dopamine detection in vivo.

Surface Functionalization of g-C 3 N 4 : Molecular-Level Design of Noble-Metal-Free Hydrogen Evolution Photocatalysts

KAUST Repository

Chen, Yin

2015-06-12

A stable noble-metal-free hydrogen evolution photocatalyst based on graphite carbon nitride (g-C3N4) was developed by a molecular-level design strategy. Surface functionalization was successfully conducted to introduce a single nickel active site onto the surface of the semiconducting g-C3N4. This catalyst family (with less than 0.1 wt% of Ni) has been found to produce hydrogen with a rate near to the value obtained by using 3 wt% platinum as co-catalyst. This new catalyst also exhibits very good stability under hydrogen evolution conditions, without any evidence of deactivation after 24h. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

New Pathways and Metrics for Enhanced, Reversible Hydrogen Storage in Boron-Doped Carbon Nanospaces

Energy Technology Data Exchange (ETDEWEB)

Pfeifer, Peter [University of Missouri; Wexler, Carlos [University of Missouri; Hawthorne, M. Frederick [University of Missouri; Lee, Mark W. [University of Missouri; Jalistegi, Satish S. [University of Missouri

2014-08-14

This project, since its start in 2007—entitled “Networks of boron-doped carbon nanopores for low-pressure reversible hydrogen storage” (2007-10) and “New pathways and metrics for enhanced, reversible hydrogen storage in boron-doped carbon nanospaces” (2010-13)—is in support of the DOE's National Hydrogen Storage Project, as part of the DOE Hydrogen and Fuel Cells Program’s comprehensive efforts to enable the widespread commercialization of hydrogen and fuel cell technologies in diverse sectors of the economy. Hydrogen storage is widely recognized as a critical enabling technology for the successful commercialization and market acceptance of hydrogen powered vehicles. Storing sufficient hydrogen on board a wide range of vehicle platforms, at energy densities comparable to gasoline, without compromising passenger or cargo space, remains an outstanding technical challenge. Of the main three thrust areas in 2007—metal hydrides, chemical hydrogen storage, and sorption-based hydrogen storage—sorption-based storage, i.e., storage of molecular hydrogen by adsorption on high-surface-area materials (carbons, metal-organic frameworks, and other porous organic networks), has emerged as the most promising path toward achieving the 2017 DOE storage targets of 0.055 kg H2/kg system (“5.5 wt%”) and 0.040 kg H2/liter system. The objective of the project is to develop high-surface-area carbon materials that are boron-doped by incorporation of boron into the carbon lattice at the outset, i.e., during the synthesis of the material. The rationale for boron-doping is the prediction that boron atoms in carbon will raise the binding energy of hydro- gen from 4-5 kJ/mol on the undoped surface to 10-14 kJ/mol on a doped surface, and accordingly the hydro- gen storage capacity of the material. The mechanism for the increase in binding energy is electron donation from H2 to electron-deficient B atoms, in the form of sp2 boron-carbon bonds. Our team is proud to have

Carbon and hydrogen isotope fractionation during aerobic biodegradation of quinoline and 3-methylquinoline.

Science.gov (United States)

Cui, Mingchao; Zhang, Wenbing; Fang, Jun; Liang, Qianqiong; Liu, Dongxuan

2017-08-01

Compound-specific isotope analysis has been used extensively to investigate the biodegradation of various organic pollutants. To date, little isotope fractionation information is available for the biodegradation of quinolinic compounds. In this study, we report on the carbon and hydrogen isotope fractionation during quinoline and 3-methylquinoline aerobic microbial degradation by a Comamonas sp. strain Q10. Degradation of quinoline and 3-methylquinoline was accompanied by isotope fractionation. Large hydrogen and small carbon isotope fractionation was observed for quinoline while minor carbon and hydrogen isotope fractionation effects occurred for 3-methylquinoline. Bulk carbon and hydrogen enrichment factors (ε bulk ) for quinoline biodegradation were -1.2 ± 0.1 and -38 ± 1‰, respectively, while -0.7 ± 0.1 and -5 ± 1‰ for 3-methylquinoline, respectively. This reveals a potential advantage for employing quinoline as the model compound and hydrogen isotope analysis for assessing aerobic biodegradation of quinolinic compounds. The apparent kinetic isotope effects (AKIE C ) values of carbon were 1.008 ± 0.0005 for quinoline and 1.0048 ± 0.0005 for 3-methylquinoline while AKIE H values of hydrogen of 1.264 ± 0.011 for quinoline and 1.0356 ± 0.0103 for 3-methylquinoline were obtained. The combined evaluation of carbon and hydrogen isotope fractionation yields Λ values (Λ = Δδ 2 H/Δδ 13 C ≈ εH bulk /εC bulk ) of 29 ± 2 for quinoline and 8 ± 2 for 3-methylquinoline. The results indicate that the substrate specificity may have a significant influence on the isotope fractionation for the biodegradation of quinolinic compounds. The substrate-specific isotope enrichment factors would be important for assessing the behavior and fate of quinolinic compounds in the environment.

The role of destabilization of palladium hydride in the hydrogen uptake of Pd-containing activated carbons

International Nuclear Information System (INIS)

Bhat, V V; Contescu, C I; Gallego, N C

2009-01-01

This paper reports on differences in stability of Pd hydride phases in palladium particles with various degrees of contact with microporous carbon supports. A sample containing Pd embedded in activated carbon fibre (2 wt% Pd) was compared with commercial Pd nanoparticles deposited on microporous activated carbon (3 wt% Pd) and with support-free nanocrystalline palladium. The morphology of the materials was characterized by electron microscopy, and the phase transformations were analysed over a large range of hydrogen partial pressures (0.003-10 bar) and at several temperatures using in situ x-ray diffraction. The results were verified with volumetric hydrogen uptake measurements. Results indicate that higher degrees of Pd-carbon contacts for Pd particles embedded in a microporous carbon matrix induce efficient 'pumping' of hydrogen out of β- PdH x . It was also found that thermal cleaning of carbon surface groups prior to exposure to hydrogen further enhances the hydrogen pumping power of the microporous carbon support. In brief, this study highlights that the stability of β- PdH x phase supported on carbon depends on the degree of contact between Pd and carbon and on the nature of the carbon surface.

Review of theoretical calculations of hydrogen storage in carbon-based materials

Energy Technology Data Exchange (ETDEWEB)

Meregalli, V.; Parrinello, M. [Max-Planck-Institut fuer Festkoerperforschung, Stuttgart (Germany)

2001-02-01

In this paper we review the existing theoretical literature on hydrogen storage in single-walled nanotubes and carbon nanofibers. The reported calculations indicate a hydrogen uptake smaller than some of the more optimistic experimental results. Furthermore the calculations suggest that a variety of complex chemical processes could accompany hydrogen storage and release. (orig.)

Methods for improved growth of group III nitride buffer layers

Science.gov (United States)

Melnik, Yurity; Chen, Lu; Kojiri, Hidehiro

2014-07-15

Methods are disclosed for growing high crystal quality group III-nitride epitaxial layers with advanced multiple buffer layer techniques. In an embodiment, a method includes forming group III-nitride buffer layers that contain aluminum on suitable substrate in a processing chamber of a hydride vapor phase epitaxy processing system. A hydrogen halide or halogen gas is flowing into the growth zone during deposition of buffer layers to suppress homogeneous particle formation. Some combinations of low temperature buffers that contain aluminum (e.g., AlN, AlGaN) and high temperature buffers that contain aluminum (e.g., AlN, AlGaN) may be used to improve crystal quality and morphology of subsequently grown group III-nitride epitaxial layers. The buffer may be deposited on the substrate, or on the surface of another buffer. The additional buffer layers may be added as interlayers in group III-nitride layers (e.g., GaN, AlGaN, AlN).

An Overview of Natural Gas Conversion Technologies for Co-Production of Hydrogen and Value-Added Solid Carbon Products

Energy Technology Data Exchange (ETDEWEB)

Dagle, Robert A. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Dagle, Vanessa [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Bearden, Mark D. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Holladay, Jamelyn D. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Krause, Theodore R. [Argonne National Lab. (ANL), Argonne, IL (United States); Ahmed, Shabbir [Argonne National Lab. (ANL), Argonne, IL (United States)

2017-11-16

This report was prepared in response to the U.S. Department of Energy Fuel Cell Technologies Office Congressional Appropriation language to support research on carbon-free production of hydrogen using new chemical processes that utilize natural gas to produce solid carbon and hydrogen. The U.S. produces 9-10 million tons of hydrogen annually with more than 95% of the hydrogen produced by steam-methane reforming (SMR) of natural gas. SMR is attractive because of its high hydrogen yield; but it also converts the carbon to carbon dioxide. Non-oxidative thermal decomposition of methane to carbon and hydrogen is an alternative to SMR and produces CO₂-free hydrogen. The produced carbon can be sold as a co-product, thus providing economic credit that reduces the delivered net cost of hydrogen. The combination of producing hydrogen with potentially valuable carbon byproducts has market value in that this allows greater flexibility to match the market prices of hydrogen and carbon. That is, the higher value product can subsidize the other in pricing decisions. In this report we highlight the relevant technologies reported in the literature—primarily thermochemical and plasma conversion processes—and recent research progress and commercial activities. Longstanding technical challenges include the high energetic requirements (e.g., high temperatures and/or electricity requirements) necessary for methane activation and, for some catalytic processes, the separation of solid carbon product from the spent catalyst. We assess current and new carbon product markets that could be served given technological advances, and we discuss technical barriers and potential areas of research to address these needs. We provide preliminary economic analysis for these processes and compare to other emerging (e.g., electrolysis) and conventional (e.g., SMR) processes for hydrogen production. The overarching conclusion of this study is that the cost of hydrogen can be potentially

Atomic-layer deposition of silicon nitride

CERN Document Server

Yokoyama, S; Ooba, K

1999-01-01

Atomic-layer deposition (ALD) of silicon nitride has been investigated by means of plasma ALD in which a NH sub 3 plasma is used, catalytic ALD in which NH sub 3 is dissociated by thermal catalytic reaction on a W filament, and temperature-controlled ALD in which only a thermal reaction on the substrate is employed. The NH sub 3 and the silicon source gases (SiH sub 2 Cl sub 2 or SiCl sub 4) were alternately supplied. For all these methods, the film thickness per cycle was saturated at a certain value for a wide range of deposition conditions. In the catalytic ALD, the selective deposition of silicon nitride on hydrogen-terminated Si was achieved, but, it was limited to only a thin (2SiO (evaporative).

Performance simulation of planar SOFC using mixed hydrogen and carbon monoxide gases as fuel

Energy Technology Data Exchange (ETDEWEB)

Inui, Y. [Department of Electrical and Electronic Engineering, Toyohashi University of Technology, Tempaku-cho, Toyohashi 441-8580 (Japan)]. E-mail: inui@eee.tut.ac.jp; Urata, A. [Department of Electrical and Electronic Engineering, Toyohashi University of Technology, Tempaku-cho, Toyohashi 441-8580 (Japan); Ito, N. [Department of Electrical and Electronic Engineering, Toyohashi University of Technology, Tempaku-cho, Toyohashi 441-8580 (Japan); Nakajima, T. [Department of Electrical and Electronic Engineering, Toyohashi University of Technology, Tempaku-cho, Toyohashi 441-8580 (Japan); Tanaka, T. [Department of Electrical and Electronic Engineering, Toyohashi University of Technology, Tempaku-cho, Toyohashi 441-8580 (Japan)

2006-08-15

The authors investigate in detail the influence of the mixing ratio of hydrogen and carbon monoxide in the fuel on the cell performance of the SOFC through numerical simulations for a single cell plate of the co-flow type planar cell. It is made clear that the cell performance is almost the same and excellent, independent of the mixing ratio of hydrogen and carbon monoxide under the nominal operating condition. The electromotive force of the hydrogen rich fuel gas is a little higher than that of the carbon monoxide rich fuel gas. The internal voltage drop in the cell decreases as the fraction of carbon monoxide becomes high. Since the value of the single cell voltage is determined by the balance of these two phenomena, the lowering of the electromotive force is dominant and the single cell voltage of the hydrogen rich fuel gas is higher when the inlet gas temperature is high, whereas the voltage drop reduction is dominant and the single cell voltage of the carbon monoxide rich fuel gas is higher when the temperature is low. The effect of the additional gases of water vapor and carbon dioxide is restricted to the single cell voltage shift, and the qualitative dependence of the single cell voltage on the inlet gas temperature is determined by the mixing ratio of hydrogen and carbon monoxide.

Performance simulation of planar SOFC using mixed hydrogen and carbon monoxide gases as fuel

International Nuclear Information System (INIS)

Inui, Y.; Urata, A.; Ito, N.; Nakajima, T.; Tanaka, T.

2006-01-01

The authors investigate in detail the influence of the mixing ratio of hydrogen and carbon monoxide in the fuel on the cell performance of the SOFC through numerical simulations for a single cell plate of the co-flow type planar cell. It is made clear that the cell performance is almost the same and excellent, independent of the mixing ratio of hydrogen and carbon monoxide under the nominal operating condition. The electromotive force of the hydrogen rich fuel gas is a little higher than that of the carbon monoxide rich fuel gas. The internal voltage drop in the cell decreases as the fraction of carbon monoxide becomes high. Since the value of the single cell voltage is determined by the balance of these two phenomena, the lowering of the electromotive force is dominant and the single cell voltage of the hydrogen rich fuel gas is higher when the inlet gas temperature is high, whereas the voltage drop reduction is dominant and the single cell voltage of the carbon monoxide rich fuel gas is higher when the temperature is low. The effect of the additional gases of water vapor and carbon dioxide is restricted to the single cell voltage shift, and the qualitative dependence of the single cell voltage on the inlet gas temperature is determined by the mixing ratio of hydrogen and carbon monoxide

The study of hydrogen electrosorption in layered nickel foam/palladium/carbon nanofibers composite electrodes

International Nuclear Information System (INIS)

Skowronski, J.M.; Czerwinski, A.; Rozmanowski, T.; Rogulski, Z.; Krawczyk, P.

2007-01-01

In the present work, the process of hydrogen electrosorption occurring in alkaline KOH solution on the nickel foam/palladium/carbon nanofibers (Ni/Pd/CNF) composite electrodes is examined. The layered Ni/Pd/CNF electrodes were prepared by a two-step method consisting of chemical deposition of a thin layer of palladium on the nickel foam support to form Ni/Pd electrode followed by coating the palladium layer with carbon nanofibers layer by means of the CVD method. The scanning electron microscope was used for studying the morphology of both the palladium and carbon layer. The process of hydrogen sorption/desorption into/from Ni/Pd as well as Ni/Pd/CNF electrode was examined using the cyclic voltammetry method. The amount of hydrogen stored in both types of composite electrodes was shown to increase on lowering the potential of hydrogen sorption. The mechanism of the anodic desorption of hydrogen changes depending on whether or not CNF layer is present on the Pd surface. The anodic peak corresponding to the removal of hydrogen from palladium is lower for Ni/Pd/CNF electrode as compared to that measured for Ni/Pd one due to a partial screening of the Pd surface area by CNF layer. The important feature of Ni/Pd/CNF electrode is anodic peak appearing on voltammetric curves at potential ca. 0.4 V more positive than the peak corresponding to hydrogen desorption from palladium. The obtained results showed that upon storing the hydrogen saturated Ni/Pd/CNF electrode at open circuit potential, diffusion of hydrogen from carbon to palladium phase occurs due to interaction between carbon fibers and Pd sites on the nickel foam support

Graphitic Carbon Nitride Nanosheets-Based Ratiometric Fluorescent Probe for Highly Sensitive Detection of H2O2 and Glucose.

Science.gov (United States)

Liu, Jin-Wen; Luo, Ying; Wang, Yu-Min; Duan, Lu-Ying; Jiang, Jian-Hui; Yu, Ru-Qin

2016-12-14

Graphitic carbon nitride (g-C 3 N 4 ) nanosheets, an emerging graphene-like carbon-based nanomaterial with high fluorescence and large specific surface areas, hold great potential for biosensor applications. Current g-C 3 N 4 nanosheets based fluorescent biosensors majorly rely on single fluorescent intensity reading through fluorescence quenching interactions between the nanosheets and metal ions. Here we report for the first time the development of a novel g-C 3 N 4 nanosheets-based ratiometric fluorescence sensing strategy for highly sensitive detection of H 2 O 2 and glucose. With o-phenylenediamine (OPD) oxidized by H 2 O 2 in the presence of horseradish peroxidase (HRP), the oxidization product can assemble on the g-C 3 N 4 nanosheets through hydrogen bonding and π-π stacking, which effectively quenches the fluorescence of g-C 3 N 4 while delivering a new emission peak. The ratiometric signal variations enable robust and sensitive detection of H 2 O 2 . On the basis of the glucose converting into H 2 O 2 through the catalysis of glucose oxidase, the g-C 3 N 4 -based ratiometric fluorescence sensing platform is also exploited for glucose assay. The developed strategy is demonstrated to give a detection limit of 50 nM for H 2 O 2 and 0.4 μM for glucose, at the same time, it has been successfully used for glucose levels detection in human serum. This strategy may provide a cost-efficient, robust, and high-throughput platform for detecting various species involving H 2 O 2 -generation reactions for biomedical applications.

Light hydrogen isotopes in the single - walled carbon nano tube

International Nuclear Information System (INIS)

Khugaev, A.V.; Sultanov, R.A.; Guster, D.

2007-01-01

Full text: Progress of our understanding of the molecular hydrogen behavior in the nano tube interior open an intriguing possibility for the applications of these knowledge's to the solution of the hydrogen storage problem and light isotopes gas selectivity. That can strongly change the situation at the energy production in the world and completely change our civil life. These investigations underline the influence of the quantum effects on the properties of molecular hydrogen in the nano tube interior and it leads to the pure quantum-mechanical reformulation of the problem for the hydrogen behavior inside carbon nano tube as a problem of molecular quantum system behavior in the external field induced by the regular nano tube surface. In the present paper the molecular hydrogen behavior in the carbon nano tube was considered in the simple quantum mechanical manner. The main attention was paid to the investigation of the quantum sieving selectivity in the dependence of nano tube composition, radius and symmetry properties. For the interaction potential between hydrogen and nano tube surface was taken some phenomenological LJ(12,6) - (Lennard - Jones) potential and the external field induced by the nano tube in its interior is considered as a simple sum over the all nano tube carbon atoms. Influence of the structure of rotation (vibration) spectrum of the energy levels of diatomic molecules, such as H 2 , HD and D 2 on the final results and finite size of the nano tube along the axis of symmetry, its boundary effects is discussed in details. Thermal oscillations of nano tube surface were considered separately in the dependence of the temperature gradient along of the axis of symmetry

Electrochemical properties of lanthanum nitride with calcium nitride additions

International Nuclear Information System (INIS)

Lesunova, R.P.; Fishman, L.S.

1986-01-01

This paper reports on the electrochemical properties of lanthanum nitride with calcium nitride added. The lanthanum nitride was obtained by nitriding metallic lanthanum at 870 K in an ammonia stream. The product contained Cl, Pr, Nd, Sm, Fe, Ca, Cu, Mo, Mg, Al, Si, and Be. The calcium nitride was obtained by nitriding metallic calcium in a nitrogen stream. The conductivity on the LaN/C 3 N 2 system components are shown as a function of temperature. A table shows the solid solutions to be virtually electronic conductors and the lanthanum nitride a mixed conductor

Energy storage applications of activated carbons: supercapacitors and hydrogen storage

OpenAIRE

Sevilla Solís, Marta; Mokaya, Robert

2014-01-01

Porous carbons have several advantageous properties with respect to their use in energy applications that require constrained space such as in electrode materials for supercapacitors and as solid state hydrogen stores. The attractive properties of porous carbons include, ready abundance, chemical and thermal stability, ease of processability and low framework density. Activated carbons, which are perhaps the most explored class of porous carbons, have been traditionally employed as catalyst s...

Preparation, microstructure and hydrogen sorption properties of nanoporous carbon aerogels under ambient drying

Science.gov (United States)

Tian, H. Y.; Buckley, C. E.; Mulè, S.; Paskevicius, M.; Dhal, B. B.

2008-11-01

Organic aerogels are prepared by the sol-gel method from polymerization of resorcinol with furfural. These aerogels are further carbonized in nitrogen in order to obtain their corresponding carbon aerogels (CA); a sample which was carbonized at 900 °C was also activated in a carbon dioxide atmosphere at 900 °C. The chemical reaction mechanism and optimum synthesis conditions are investigated by means of Fourier transform infrared spectroscopy and thermoanalyses (thermogravimetric/differential thermal analyses) with a focus on the sol-gel process. The carbon aerogels were investigated with respect to their microstructures, using small angle x-ray scattering (SAXS), transmission electron microscopy (TEM) and nitrogen adsorption measurements at 77 K. SAXS studies showed that micropores with a radius of gyration of adsorption showed that larger mesopores were also present. Hydrogen storage properties of the CA were also investigated. An activated sample with a Brunauer-Emmett-Teller surface area of 1539 ± 20 m2 g-1 displayed a reasonably high hydrogen uptake at 77 K with a maximum hydrogen sorption of 3.6 wt% at 2.5 MPa. These results suggest that CA are promising candidate hydrogen storage materials.

The Effect of Mesoporous Carbon Nitride Modification by Titanium Oxide Nanoparticles on Photocatalytic Degradation of 1,3-Dinitrobenzene

Directory of Open Access Journals (Sweden)

Seyyed Ershad Moradi

2015-11-01

Full Text Available In the present work, well ordered, mesoporous carbon nitride (MCN sorbent with uniform mesoporous wall, high surface area and pore volume has been fabricated using the simple polymerization reaction between ethylene diamine and carbon tetrachloride in mesoporous silica media, and then modified by TiO2 nanoparticles (Ti-MCN. The structural order and textural properties of the nanoporous materials were studied by XRD, elemental analysis, and nitrogen adsorption–desorption experiments. Photodegradation experiments for 1,3-dinitrobenzene were conducted in batch mode, the Ti-MCN catalysts were found to be more active compared to the free TiO2 nanoparticles for 1,3-dinitrobenzene degradation.

Water electrolysis with a conducting carbon cloth: subthreshold hydrogen generation and superthreshold carbon quantum dot formation.

Science.gov (United States)

Biswal, Mandakini; Deshpande, Aparna; Kelkar, Sarika; Ogale, Satishchandra

2014-03-01

A conducting carbon cloth, which has an interesting turbostratic microstructure and functional groups that are distinctly different from other ordered forms of carbon, such as graphite, graphene, and carbon nanotubes, was synthesized by a simple one-step pyrolysis of cellulose fabric. This turbostratic disorder and surface chemical functionalities had interesting consequences for water splitting and hydrogen generation when such a cloth was used as an electrode in the alkaline electrolysis process. Importantly, this work also gives a new twist to carbon-assisted electrolysis. During electrolysis, the active sites in the carbon cloth allow slow oxidation of its surface to transform the surface groups from COH to COOH and so forth at a voltage as low as 0.2 V in a two-electrode system, along with platinum as the cathode, instead of 1.23 V (plus overpotential), which is required for platinum, steel, or even graphite anodes. The quantity of subthreshold hydrogen evolved was 24 mL cm(-2)  h(-1) at 1 V. Interestingly, at a superthreshold potential (>1.23 V+overpotential), another remarkable phenomenon was found. At such voltages, along with the high rate and quantity of hydrogen evolution, rapid exfoliation of the tiny nanoscale (5-7 nm) units of carbon quantum dots (CQDs) are found in copious amounts due to an enhanced oxidation rate. These CQDs show bright-blue fluorescence under UV light. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Radiation-induced interface state generation in MOS devices with reoxidised nitrided SiO2 gate dielectrics

International Nuclear Information System (INIS)

Lo, G.Q.; Shih, D.K.; Ting, W.; Kwong, D.L.

1989-01-01

In this letter, the radiation-induced interface state generation ΔD it in MOS devices with reoxidised nitrided gate oxides has been studied. The reoxidised nitrided oxides were fabricated by rapid thermal reoxidation (RTO) of rapidly thermal nitrided (RTN) SiO 2 . The devices were irradiated by exposure to X-rays at doses of 0.5-5.0 Mrad (Si). It is found that the RTO process improves the radiation hardness of RTN oxides in terms of interface state generation. The enhanced interface ''hardness'' of reoxidised nitrided oxides is attributed to the strainless interfacial oxide regrowth or reduction of hydrogen concentration during RTO of RTN oxides. (author)

Dynamic response of multiwall boron nitride nanotubes subjected to ...

Indian Academy of Sciences (India)

Page 1 ... 1. Introduction. Boron nitride nanotubes (BNNTs) are like carbon nanotubes. (CNTs) in structure in which carbon atoms are replaced by alternate boron and nitrogen atoms. Thus, BNNTs demon- ... istic analyser for intermediate landing situation of inserted mass.15 Also, a macroscopic continuum simulation is sug-.

Stability and Electronic Properties of Hydrogenated Zigzag Carbon Nanotube Focused on Stone-Wales Defect

International Nuclear Information System (INIS)

Pan Li-Jun; Zhang Jie; Chen Wei-Guang; Tang Ya-Nan

2015-01-01

We present a first-principles study of the chemisorption of hydrogen on a Stone-Wales (SW) defective carbon nanotube (10,0). The investigated configurations include four configurations covering single defects and double defects. One hydrogen dimer adsorption is energetically favored on bonds shared by carbon heptagon-heptagon for configurations with the defect parallel to the tube axis compared with the carbon pentagon-hexagon sites for ones with a slanted defect. This different behavior is also demonstrated for hydrogen dimer chain adsorption, the favored site for the former ones is through the defect, which is the nearest neighbor site to defect for the latter ones. It is found that the energy band gaps of hydrogenated configurations may be enlarged or decreased by altering the adsorption site or defect position. The semiconductor-to-metal transition may occur for configurations with the defect or defects parallel to the tube axis due to low electronic localization. Our results highlight the interest of the interaction of multi-factor system by providing a detailed bond and position picture of a hydrogenated defective carbon nanotube (10,0). (paper)

Catalytic hydrogenation of carbon monoxide

Energy Technology Data Exchange (ETDEWEB)

Wayland, B.B.

1992-12-01

This project is focused on developing strategies to accomplish the reduction and hydrogenation of carbon monoxide to produce organic oxygenates at mild conditions. Our approaches to this issue are based on the recognition that rhodium macrocycles have unusually favorable thermodynamic values for producing a series of intermediate implicated in the catalytic hydrogenation of CO. Observations of metalloformyl complexes produced by reactions of H{sub 2} and CO, and reductive coupling of CO to form metallo {alpha}-diketone species have suggested a multiplicity of routes to organic oxygenates that utilize these species as intermediates. Thermodynamic and kinetic-mechanistic studies are used in constructing energy profiles for a variety of potential pathways, and these schemes are used in guiding the design of new metallospecies to improve the thermodynamic and kinetic factors for individual steps in the overall process. Variation of the electronic and steric effects associated with the ligand arrays along with the influences of the reaction medium provide the chemical tools for tuning these factors. Emerging knowledge of the factors that contribute to M-H, M-C and M-O bond enthalpies is directing the search for ligand arrays that will expand the range of metal species that have favorable thermodynamic parameters to produce the primary intermediates for CO hydrogenation. Studies of rhodium complexes are being extended to non-macrocyclic ligand complexes that emulate the favorable thermodynamic features associated with rhodium macrocycles, but that also manifest improved reaction kinetics. Multifunctional catalyst systems designed to couple the ability of rhodium complexes to produce formyl and diketone intermediates with a second catalyst that hydrogenates these imtermediates are promising approaches to accomplish CO hydrogenation at mild conditions.

Nitriding and Nitrocarburizing; Current Status and Future Challenges

DEFF Research Database (Denmark)

Somers, Marcel A. J.

, aspects of low temperature surface hardening of stainless steels in a gaseous environment will be addressed. Here, the developed case consists of expanded austenite and/or expanded martensite, which essentially is a super saturated solid solution of nitrogen/carbon in austenite/martensite. The current......This contribution addresses the current understanding of gaseous nitriding and nitrocarburizing. Aspects of thermodynamics, kinetics and microstructure development in iron and heat treatable steel will be explained. In these materials the nitrided/ nitrocarburized case can be subdivided...

Argon plasma treatment of silicon nitride (SiN) for improved antireflection coating on c-Si solar cells

Energy Technology Data Exchange (ETDEWEB)

Ghosh, Hemanta; Mitra, Suchismita; Saha, Hiranmay; Datta, Swapan Kumar; Banerjee, Chandan, E-mail: chandanbanerjee74@gmail.com

2017-01-15

Highlights: • Antireflection properties of argon plasma treated silicon nitride layer and its effect on crystalline silicon solar cell. • The reduction in reflection due to the formation of a silicon oxynitride/silicon nitride double layer. • EQE reveals a relative increase of 2.72% in J{sub sc} and 4.46% in conversion efficiency. - Abstract: Antireflection properties of argon plasma treated silicon nitride layer and its effect on crystalline silicon solar cell is presented here. Hydrogenated silicon nitride (a-SiN:H) layer has been deposited on a silicon substrate by Plasma Enhanced Chemical Vapour Deposition (PECVD) using a mixture of silane (SiH{sub 4}), ammonia (NH{sub 3}) and hydrogen (H{sub 2}) gases followed by a argon plasma treatment. Optical analysis reveals a significant reduction in reflectance after argon plasma treatment of silicon nitride layer. While FESEM shows nanostructures on the surface of the silicon nitride film, FTIR reveals a change in Si−N, Si−O and N−H bonds. On the other hand, ellipsometry shows the variation of refractive index and formation of double layer. Finally, a c-Si solar cell has been fabricated with the said anti-reflection coating. External quantum efficiency reveals a relative increase of 2.72% in the short circuit current density and 4.46% in conversion efficiency over a baseline efficiency of 16.58%.

Catalytic Metal Free Production of Large Cage Structure Carbon Particles: A Candidate for Hydrogen Storage

Science.gov (United States)

Kimura, Yuki; Nuth, Joseph A., III; Ferguson, Frank T.

2005-01-01

We will demonstrate that carbon particles consisting of large cages can be produced without catalytic metal. The carbon particles were produced in CO gas as well as by introduction of 5% methane gas into the CO gas. The gas-produced carbon particles were able to absorb approximately 16.2 wt% of hydrogen. This value is 2.5 times higher than the 6.5 wt% goal for the vehicular hydrogen storage proposed by the Department of Energy in the USA. Therefore, we believe that this carbon particle is an excellent candidate for hydrogen storage for fuel cells.

Visible Light Neural Stimulation on graphitic-Carbon Nitride/Graphene Photocatalytic Fibers

DEFF Research Database (Denmark)

Zhang, Zhongyang; Xu, Ruodan; Wang, Zegao

2017-01-01

conversion, was for the first time investigated. Specifically, g-C3N4 was combined with graphene oxide (GO) in a 3D manner on the surfaces of electrospun polycaprolactone/gelatin (PG) fibers and functioned as a biocompatible interface for visible-light stimulating neuronal differentiation. The enhanced......Light stimulation allows remote and spatiotemporally accurate operation that has been applied as effective, non-invasive means of therapeutic interventions. Here, visible light neural stimulation of graphitic carbon nitride (g-C3N4), an emerging photocatalyst with visible-light optoelectronic...... was confirmed by the Lactate Dehydrogenase (LDH) assay, live dead staining and colorimetric cell viability assay CCK-8. Under a bidaily, monochromatic light stimulation at a wavelength of 450 nm at 10mW/cm2, a 18.5-fold increase of neurite outgrowth of PC12 was found on g-C3N4 coated fibers; while AA reduced GO...

Stable boron nitride diamondoids as nanoscale materials

International Nuclear Information System (INIS)

Fyta, Maria

2014-01-01

We predict the stability of diamondoids made up of boron and nitrogen instead of carbon atoms. The results are based on quantum-mechanical calculations within density functional theory (DFT) and show some very distinct features compared to the regular carbon-based diamondoids. These features are evaluated with respect to the energetics and electronic properties of the boron nitride diamondoids as compared to the respective properties of the carbon-based diamondoids. We find that BN-diamondoids are overall more stable than their respective C-diamondoid counterparts. The electronic band-gaps (E g ) of the former are overall lower than those for the latter nanostructures but do not show a very distinct trend with their size. Contrary to the lower C-diamondoids, the BN-diamondoids are semiconducting and show a depletion of charge on the nitrogen site. Their differences in the distribution of the molecular orbitals, compared to their carbon-based counterparts, offer additional bonding and functionalization possibilities. These tiny BN-based nanostructures could potentially be used as nanobuilding blocks complementing or substituting the C-diamondoids, based on the desired properties. An experimental realization of boron nitride diamondoids remains to show their feasibility. (paper)

Effects of hydrogen on carbon steels at the Multi-Function Waste Tank Facility

International Nuclear Information System (INIS)

Carlos, W.C.

1995-01-01

Concern has been expressed that hydrogen produced by corrosion, radiolysis, and decomposition of the waste could cause embrittlement of the carbon steel waste tanks at Hanford. The concern centers on the supposition that the hydrogen evolved in many of the existing tanks might penetrate the steel wall of the tank and cause embrittlement that might lead to catastrophic failure. This document reviews literature on the effects of hydrogen on the carbon steel proposed for use in the Multi-Function Waste Tank Facility for the time periods before and during construction as well as for the operational life of the tanks. The document draws several conclusions about these effects. Molecular hydrogen is not a concern because it is not capable of entering the steel tank wall. Nascent hydrogen produced by corrosion reactions will not embrittle the steel because the mild steel used in tank construction is not hard enough to be susceptible to hydrogen stress cracking and the corrosion product hydrogen is not produced at a rate sufficient to cause either loss in tensile ductility or blistering. If the steel intended for use in the tanks is produced to current technology, fabricated in accordance with good construction practice, postweld heat treated, and operated within the operating limits defined, hydrogen will not adversely affect the carbon steel tanks during their 50-year design life. 26 refs

Direct measurements of adsorption heats of hydrogen on nano-porous carbons

International Nuclear Information System (INIS)

Akihiko, Matsumoto; Kazumasa, Yamamoto; Tomoyuki, Miyata

2005-01-01

Since a exciting report of hydrogen storage in single-walled carbon nano-tubes by Dillon and his colleagues [1], nano-porous carbon materials, such as carbon nano-tubes, carbon nano-horns and micro-porous activated carbon, have attracted considerable attention as hydrogen storage materials. Adsorption plays a predominating role in the hydrogen storage process on solid surfaces. The adsorption is a spontaneous process, which is caused by interaction between gas molecules and surface, hence, it is always exothermic process and observed as adsorption heats. For this reason, direct measurement of the adsorption heats by adsorption microcalorimetry would provide quantitative information on the strength of adsorption interaction and the adsorption mechanism. However, the adsorption amounts of hydrogen on carbon materials are far less than those of condensable vapors near room temperature due to low critical temperature of hydrogen (33.2 K), therefore, the adsorption heats can not be determined accurately at conventional measurement conditions near room temperature and the atmospheric pressure. This contribution reports the calorimetric characterization of hydrogen adsorption on nano-porous carbon materials at low temperature and high-pressure conditions. The high-pressure adsorption apparatus consists of a volumetric adsorption line connected to a twin-conduction type microcalorimeter. Activated carbon fibers (ACF, Ad'all Co.) of different micropore sizes (Table 1) were used as model adsorbents. Each ACF has slit-shaped micropores of uniform size [2]. The adsorption isotherms and differential heats of adsorption at high-pressure region from 0 to 10 MPa were simultaneously measured at isothermal condition from 203 to 298 K. The adsorption isotherms on ACF were of Henry type regardless of adsorption temperature and pore width; the uptakes increased linearly with equilibrium pressure. The adsorption isotherm at lower sorption temperature tended to show higher sorptivity

Cloning single wall carbon nanotubes for hydrogen storage

Energy Technology Data Exchange (ETDEWEB)

Tour, James M [Rice Univ., Houston, TX (United States); Kittrell, Carter [Rice Univ., Houston, TX (United States)

2012-08-30

The purpose of this research is to development the technology required for producing 3-D nano-engineered frameworks for hydrogen storage based on sp² carbon media, which will have high gravimetric and especially high volumetric uptake of hydrogen, and in an aligned fibrous array that will take advantage of the exceptionally high thermal conductivity of sp² carbon materials to speed up the fueling process while minimizing or eliminating the need for internal cooling systems. A limitation for nearly all storage media using physisorption of the hydrogen molecule is the large amount of surface area (SA) occupied by each H₂ molecule due to its large zero-point vibrational energy. This creates a conundrum that in order to maximize SA, the physisorption media is made more tenuous and the density is decreased, usually well below 1 kg/L, so that there comes a tradeoff between volumetric and gravimetric uptake. Our major goal was to develop a new type of media with high density H₂ uptake, which favors volumetric storage and which, in turn, has the capability to meet the ultimate DoE H₂ goals.

Preparation, microstructure and hydrogen sorption properties of nanoporous carbon aerogels under ambient drying

International Nuclear Information System (INIS)

Tian, H Y; Buckley, C E; Mule, S; Paskevicius, M; Dhal, B B

2008-01-01

Organic aerogels are prepared by the sol-gel method from polymerization of resorcinol with furfural. These aerogels are further carbonized in nitrogen in order to obtain their corresponding carbon aerogels (CA); a sample which was carbonized at 900 deg. C was also activated in a carbon dioxide atmosphere at 900 deg. C. The chemical reaction mechanism and optimum synthesis conditions are investigated by means of Fourier transform infrared spectroscopy and thermoanalyses (thermogravimetric/differential thermal analyses) with a focus on the sol-gel process. The carbon aerogels were investigated with respect to their microstructures, using small angle x-ray scattering (SAXS), transmission electron microscopy (TEM) and nitrogen adsorption measurements at 77 K. SAXS studies showed that micropores with a radius of gyration of 2 g -1 displayed a reasonably high hydrogen uptake at 77 K with a maximum hydrogen sorption of 3.6 wt% at 2.5 MPa. These results suggest that CA are promising candidate hydrogen storage materials.

Nitrogen-Rich Polyacrylonitrile-Based Graphitic Carbons for Hydrogen Peroxide Sensing

Directory of Open Access Journals (Sweden)

Brandon Pollack

2017-10-01

Full Text Available Catalytic substrate, which is devoid of expensive noble metals and enzymes for hydrogen peroxide (H2O2, reduction reactions can be obtained via nitrogen doping of graphite. Here, we report a facile fabrication method for obtaining such nitrogen doped graphitized carbon using polyacrylonitrile (PAN mats and its use in H2O2 sensing. A high degree of graphitization was obtained with a mechanical treatment of the PAN fibers embedded with carbon nanotubes (CNT prior to the pyrolysis step. The electrochemical testing showed a limit of detection (LOD 0.609 µM and sensitivity of 2.54 µA cm−2 mM−1. The promising sensing performance of the developed carbon electrodes can be attributed to the presence of high content of pyridinic and graphitic nitrogens in the pyrolytic carbons, as confirmed by X-ray photoelectron spectroscopy. The reported results suggest that, despite their simple fabrication, the hydrogen peroxide sensors developed from pyrolytic carbon nanofibers are comparable with their sophisticated nitrogen-doped graphene counterparts.

Simple process to fabricate nitride alloy powders

International Nuclear Information System (INIS)

Yang, Jae Ho; Kim, Dong-Joo; Kim, Keon Sik; Rhee, Young Woo; Oh, Jang-Soo; Kim, Jong Hun; Koo, Yang Hyun

2013-01-01

alloy powders were obtained. Two types of the simple thermal treatment procedures were tested to fabricate nitride powders. First, the procedure is a direct nitriding process in which the metal powders were annealed at 1000 deg. C under nitrogen gas and then further annealed at 1500 deg. C under hydrogen containing Ar gas atmosphere. It was revealed that the particles were fragmented to smaller particles during the annealing. The XRD results showed that the uranium metal converted to UN 2 phase during the annealing at 1000 deg. C and then decomposed to UN phase during the further annealing at 1500 deg. C. Observed fragmentation and cracking of particles were caused by sequential volume changes of expansion and contraction which were accompanied by the formation and decomposition of uranium nitrides. Although uranium nitride powders were successfully fabricated during the simple nitriding process, it seems that milling of the obtained powder might be necessary to fabricate sintered nitride fuel pellets. In order to fabricate finer nitride powders, a nitriding procedure has been modified. In the modified process, the particles were heat-treated at 250 deg. C in H 2 before nitriding. The addition of a hydriding step was effective in obtaining fine uranium nitride powder. In the case of U-10 wt% Zr-alloy, however, only a few large cracks were developed on the particle surface and the particle maintained its size. This result reveals that hydriding and nitriding kinetics or mechanisms of U-10 wt% Zr alloy are quite different from those of U metal

Electron beam generation and structure of defects in carbon and boron nitride nano-tubes

Energy Technology Data Exchange (ETDEWEB)

Zobelli, A

2007-10-15

The nature and role of defects is of primary importance to understand the physical properties of C and BN (boron nitride) single walled nano-tubes (SWNTs). Transmission electron microscopy (TEM) is a well known powerful tool to study the structure of defects in materials. However, in the case of SWNTs, the electron irradiation of the TEM may knock out atoms. This effect may alter the native structure of the tube, and has also been proposed as a potential tool for nano-engineering of nano-tubular structures. Here we develop a theoretical description of the irradiation mechanism. First, the anisotropy of the emission energy threshold is obtained via density functional based calculations. Then, we numerically derive the total Mott cross section for different emission sites of carbon and boron nitride nano-tubes with different chiralities. Using a dedicated STEM (Scanning Transmission Electron Microscope) microscope with experimental conditions optimised on the basis of derived cross-sections, we are able to control the generation of defects in nano-tubular systems. Either point or line defects can be obtained with a spatial resolution of a few nanometers. The structure, energetics and electronics of point and line defects in BN systems have been investigated. Stability of mono- and di- vacancy defects in hexagonal boron nitride layers is investigated, and their activation energies and reaction paths for diffusion have been derived using the nudged elastic band method (NEB) combined with density functional based techniques. We demonstrate that the appearance of extended linear defects under electron irradiation is more favorable than a random distribution of point defects and this is due to the existence of preferential sites for atom emission in the presence of pre-existing defects, rather than thermal vacancy nucleation and migration. (author)

Electron beam generation and structure of defects in carbon and boron nitride nano-tubes

International Nuclear Information System (INIS)

Zobelli, A.

2007-10-01

The nature and role of defects is of primary importance to understand the physical properties of C and BN (boron nitride) single walled nano-tubes (SWNTs). Transmission electron microscopy (TEM) is a well known powerful tool to study the structure of defects in materials. However, in the case of SWNTs, the electron irradiation of the TEM may knock out atoms. This effect may alter the native structure of the tube, and has also been proposed as a potential tool for nano-engineering of nano-tubular structures. Here we develop a theoretical description of the irradiation mechanism. First, the anisotropy of the emission energy threshold is obtained via density functional based calculations. Then, we numerically derive the total Mott cross section for different emission sites of carbon and boron nitride nano-tubes with different chiralities. Using a dedicated STEM (Scanning Transmission Electron Microscope) microscope with experimental conditions optimised on the basis of derived cross-sections, we are able to control the generation of defects in nano-tubular systems. Either point or line defects can be obtained with a spatial resolution of a few nanometers. The structure, energetics and electronics of point and line defects in BN systems have been investigated. Stability of mono- and di- vacancy defects in hexagonal boron nitride layers is investigated, and their activation energies and reaction paths for diffusion have been derived using the nudged elastic band method (NEB) combined with density functional based techniques. We demonstrate that the appearance of extended linear defects under electron irradiation is more favorable than a random distribution of point defects and this is due to the existence of preferential sites for atom emission in the presence of pre-existing defects, rather than thermal vacancy nucleation and migration. (author)

Nitriding behavior of Ni and Ni-based binary alloys

Energy Technology Data Exchange (ETDEWEB)

Fonovic, Matej

2015-01-15

Gaseous nitriding is a prominent thermochemical surface treatment process which can improve various properties of metallic materials such as mechanical, tribological and/or corrosion properties. This process is predominantly performed by applying NH{sub 3}+H{sub 2} containing gas atmospheres serving as the nitrogen donating medium at temperatures between 673 K and 873 K (400 C and 600 C). NH{sub 3} decomposes at the surface of the metallic specimen and nitrogen diffuses into the surface adjacent region of the specimen whereas hydrogen remains in the gas atmosphere. One of the most important parameters characterizing a gaseous nitriding process is the so-called nitriding potential (r{sub N}) which determines the chemical potential of nitrogen provided by the gas phase. The nitriding potential is defined as r{sub N} = p{sub NH{sub 3}}/p{sub H{sub 2}{sup 3/2}} where p{sub NH{sub 3}} and p{sub H{sub 2}} are the partial pressures of the NH{sub 3} and H{sub 2} in the nitriding atmosphere. In contrast with nitriding of α-Fe where the nitriding potential is usually in the range between 0.01 and 1 atm{sup -1/2}, nitriding of Ni and Ni-based alloys requires employing nitriding potentials higher than 100 atm{sup -1/2} and even up to ∞ (nitriding in pure NH{sub 3} atmosphere). This behavior is compatible with decreased thermodynamic stability of the 3d-metal nitrides with increasing atomic number. Depending on the nitriding conditions (temperature, nitriding potential and treatment time), different phases are formed at the surface of the Ni-based alloys. By applying very high nitriding potential, formation of hexagonal Ni{sub 3}N at the surface of the specimen (known as external nitriding) leads to the development of a compound layer, which may improve tribological properties. Underneath the Ni{sub 3}N compound layer, two possibilities exist: (i) alloying element precipitation within the nitrided zone (known as internal nitriding) and/or (ii) development of metastable and

Hydrogen spillover in Pt-single-walled carbon nanotube composites: formation of stable C-H bonds.

Science.gov (United States)

Bhowmick, Ranadeep; Rajasekaran, Srivats; Friebel, Daniel; Beasley, Cara; Jiao, Liying; Ogasawara, Hirohito; Dai, Hongjie; Clemens, Bruce; Nilsson, Anders

2011-04-13

Using in situ electrical conductivity and ex situ X-ray photoelectron spectroscopy (XPS) measurements, we have examined how the hydrogen uptake of single-walled carbon nanotubes (SWNTs) is influenced by the addition of Pt nanoparticles. The conductivity of platinum-sputtered single-walled carbon nanotubes (Pt-SWNTs) during molecular hydrogen exposure decreased more rapidly than that of the corresponding pure SWNTs, which supports a hydrogenation mechanism facilitated by "spillover" of dissociated hydrogen from the Pt nanoparticles. C 1s XPS spectra indicate that the Pt-SWNTs store hydrogen by means of chemisorption, that is, covalent C-H bond formation: molecular hydrogen charging at elevated pressure (8.27 bar) and room temperature yielded Pt-SWNTs with up to 16 ± 1.5 at. % sp(3)-hybridized carbon atoms, which corresponds to a hydrogen-storage capacity of 1.2 wt % (excluding the weight of Pt nanoparticles). Pt-SWNTs prepared by the Langmuir-Blodgett (LB) technique exhibited the highest Pt/SWNT ratio and also the best hydrogen uptake. © 2011 American Chemical Society

Hydrogen storage studies on palladium-doped carbon materials (AC, CB, CNMs) @ metal-organic framework-5.

Science.gov (United States)

Viditha, V; Srilatha, K; Himabindu, V

2016-05-01

Metal organic frameworks (MOFs) are a rapidly growing class of porous materials and are considered as best adsorbents for their high surface area and extraordinary porosity. The MOFs are synthesized by using various chemicals like triethylamine, terepthalic acid, zinc acetate dihydrate, chloroform, and dimethylformamide (DMF). Synthesized MOFs are intercalated with palladium/activated carbon, carbon black, and carbon nanomaterials by chemical reduction method for the purpose of enhancing the hydrogen adsorption capacities. We have observed that the palladium doped activated carbon on MOF-5 showed high hydrogen storage capacity. This may be due to the affinity of the palladium toward hydrogen molecule. The samples are characterized by X-ray diffraction, scanning electron microscopy (SEM), and Brunauer-Emmett-Teller (BET) surface area analysis. We have observed a clear decrease in the BET surface area and pore volume. The obtained results show a better performance for the synthesized sample. To our best knowledge, no one has reported the work on palladium-doped carbon materials (activated carbon, carbon black, carbon nanomaterials) impregnated to the metal-organic framework-5. We have attempted to synthesize carbon nanomaterials using indigenously fabricated chemical vapor deposition (CVD) unit as a support. We have observed an increase in the hydrogen storage capacities.

The nitriding of solution treated A1S1 type 316 stainless steel in ammonia-hydrogen mixtures

International Nuclear Information System (INIS)

Tyfield, S.P.; Mackway, J.

1975-08-01

A study is described of the nitriding of 316 stainless steel in NH 3 /H 2 mixtures between 500 0 C and 800 0 C to examine the application of the rate data, so obtained, to nitriding in molecular nitrogen. The rate of nitriding in NH 3 -H 2 was found to be parabolic, at nitrogen potentials insufficient to produce surface iron nitrodes. The rate determining process is interpreted to be dependent on both chromium nitride precipitation and nitrogen diffusion. It is concluded that the kinetics of nitriding 316 stainless steel in molecular nitrogen between 500 0 C and 800 0 C are not reliably predicted on the basis of accelerated kinetic results produced either by increasing the nitrogen potential by the use of NH 3 /H 2 mixtures or by elevating the temperature as reported elsewhere. (U.K.)

Structure and properties of the Stainless steel AISI 316 nitrided with microwave plasma

International Nuclear Information System (INIS)

Becerril R, F.

1999-01-01

In this work were presented the results obtained by nitridation on stainless steel AISI 316 using a plasma generated through a microwave discharge with an external magnetic field using several moistures hydrogen / nitrogen to form a plasma. The purpose of nitridation was to increase the surface hardness of stainless steel through a phase formation knew as γN which has been reported that produces such effect without affect the corrosion resistance proper of this material. (Author)

Superconducting structure with layers of niobium nitride and aluminum nitride

International Nuclear Information System (INIS)

Murduck, J.M.; Lepetre, Y.J.; Schuller, I.K.; Ketterson, J.B.

1989-01-01

A superconducting structure is formed by depositing alternate layers of aluminum nitride and niobium nitride on a substrate. Deposition methods include dc magnetron reactive sputtering, rf magnetron reactive sputtering, thin-film diffusion, chemical vapor deposition, and ion-beam deposition. Structures have been built with layers of niobium nitride and aluminum nitride having thicknesses in a range of 20 to 350 Angstroms. Best results have been achieved with films of niobium nitride deposited to a thickness of approximately 70 Angstroms and aluminum nitride deposited to a thickness of approximately 20 Angstroms. Such films of niobium nitride separated by a single layer of aluminum nitride are useful in forming Josephson junctions. Structures of 30 or more alternating layers of niobium nitride and aluminum nitride are useful when deposited on fixed substrates or flexible strips to form bulk superconductors for carrying electric current. They are also adaptable as voltage-controlled microwave energy sources. 8 figs

Materials for high-temperature hydrogen fluorine environments. Final report, June 1976-December 1978

International Nuclear Information System (INIS)

Holcombe, C.E. Jr.; Kovach, L.

1981-03-01

A determination has been made of the stability of 35 materials under high-temperature, fluorine rich, hydrogen fluoride torch testing. Refractory materials tested included 4 borides, 3 carbides, 3 nitrides, 12 oxides, 1 oxynitride, 1 sulfide, 10 metals, and carbon (10 types). Three materials distinctly performed better than nickel: lanthanum hexaboride, calcium hexaboride, and lanthanum silicon oxynitride. Of these, lanthanum hexaboride is the best candidate tested since it has an estimated upper use temperature > 1726 K, which is above the melting point and more than 300 K above the upper use temperature of nickel

Materials for high-temperature hydrogen fluorine environments. Final report, June 1976-December 1978

Energy Technology Data Exchange (ETDEWEB)

Holcombe, C.E. Jr.; Kovach, L.

1981-03-01

A determination has been made of the stability of 35 materials under high-temperature, fluorine rich, hydrogen fluoride torch testing. Refractory materials tested included 4 borides, 3 carbides, 3 nitrides, 12 oxides, 1 oxynitride, 1 sulfide, 10 metals, and carbon (10 types). Three materials distinctly performed better than nickel: lanthanum hexaboride, calcium hexaboride, and lanthanum silicon oxynitride. Of these, lanthanum hexaboride is the best candidate tested since it has an estimated upper use temperature > 1726 K, which is above the melting point and more than 300 K above the upper use temperature of nickel.

III-Nitride Membranes for Thermal Bio-Sensing and Solar Hydrogen Generation

KAUST Repository

Elafandy, Rami T.

2017-01-01

demonstrate the versatility of III-nitride membranes where we develop a thermal bio-sensor nanomembrane and solar energy photo-anode membrane. First, we present a novel preparation technique of nanomembranes with new characteristics; having no threading

Ab initio calculations on hydrogen storage in porous carbons

International Nuclear Information System (INIS)

Maresca, O.; Marinelli, F.; Pellenq, R.J.M.; Duclaux, L.; Azais, Ph.; Conard, J.

2005-01-01

We have investigated through ab initio computations the possible ways to achieve efficient hydrogen storage on carbons. Firstly, we have considered how the curvature of a carbon surface could affect the chemisorption of atomic H 0 Secondly, we show that electron donor elements such as Li and K, used as dopants for the carbon substrate, strongly enhance the physi-sorption energy of H 2 , allowing in principle its storage in this type of material at room temperature under mild conditions of pressure. (authors)

Catalytic hydrogenation of carbon monoxide

International Nuclear Information System (INIS)

Wayland, B.B.

1993-12-01

Focus of this project is on developing new approaches for hydrogenation of carbon monoxide to produce organic oxygenates at mild conditions. The strategies to accomplish CO reduction are based on favorable thermodynamics manifested by rhodium macrocycles for producing a series of intermediates implicated in the catalytic hydrogenation of CO. Metalloformyl complexes from reactions of H 2 and CO, and CO reductive coupling to form metallo α-diketone species provide alternate routes to organic oxygenates that utilize these species as intermediates. Thermodynamic and kinetic-mechanistic studies are used in guiding the design of new metallospecies to improve the thermodynamic and kinetic factors for individual steps in the overall process. Electronic and steric effects associated with the ligand arrays along with the influences of the reaction medium provide the chemical tools for tuning these factors. Non-macrocyclic ligand complexes that emulate the favorable thermodynamic features associated with rhodium macrocycles, but that also manifest improved reaction kinetics are promising candidates for future development

Solar-Driven Hydrogen Peroxide Production Using Polymer-Supported Carbon Dots as Heterogeneous Catalyst

Science.gov (United States)

Gogoi, Satyabrat; Karak, Niranjan

2017-10-01

Safe, sustainable, and green production of hydrogen peroxide is an exciting proposition due to the role of hydrogen peroxide as a green oxidant and energy carrier for fuel cells. The current work reports the development of carbon dot-impregnated waterborne hyperbranched polyurethane as a heterogeneous photo-catalyst for solar-driven production of hydrogen peroxide. The results reveal that the carbon dots possess a suitable band-gap of 2.98 eV, which facilitates effective splitting of both water and ethanol under solar irradiation. Inclusion of the carbon dots within the eco-friendly polymeric material ensures their catalytic activity and also provides a facile route for easy catalyst separation, especially from a solubilizing medium. The overall process was performed in accordance with the principles of green chemistry using bio-based precursors and aqueous medium. This work highlights the potential of carbon dots as an effective photo-catalyst.

Modification of rubber surface with hydrogenated diamond-like carbon thin films

NARCIS (Netherlands)

Pei, Y. T.; Bui, X. L.; De Hosson, J. Th. M.; Laudon, M; Romanowicz, B

2009-01-01

Thin films of hydrogenated diamond-like carbon (DLC) have been deposited on hydrogenated nitrile butadiene rubber (HNBR) for reduction of friction and enhancement of wear resistance of dynamic rubber seals, by sputtering graphite targets in C(2)H(2)/Ar plasma. The wax removal and pre-deposition

Hydrogen storage in single-walled carbon nanotubes: methods and results

International Nuclear Information System (INIS)

Poirier, E.; Chahine, R.; Tessier, A.; Cossement, D.; Lafi, L.; Bose, T.K.

2004-01-01

We present high sensitivity gravimetric and volumetric hydrogen sorption measurement systems adapted for in situ conditioning under high temperature and high vacuum. These systems, which allow for precise measurements on small samples and thorough degassing, are used for sorption measurements on carbon nanostructures. We developed one volumetric system for the pressure range 0-1 bar, and two gravimetric systems for 0-1 bar and 0-100 bars. The use of both gravimetric and volumetric methods allows for the cross-checking of the results. The accuracy of the systems has been determined from hydrogen absorption measurements on palladium. The accuracies of the 0-1 bar volumetric and gravimetric systems are about 10 μg and 20 μg respectively. The accuracy of the 0-100 bars gravimetric system is about 20 μg. Hydrogen sorption measurements on single-walled carbon nanotubes (SWNTs) and metal-incorporated- SWNTs are presented. (author)

Cobalt phosphate-modified barium-doped tantalum nitride nanorod photoanode with 1.5% solar energy conversion efficiency

KAUST Repository

Li, Yanbo

2013-10-03

Spurred by the decreased availability of fossil fuels and global warming, the idea of converting solar energy into clean fuels has been widely recognized. Hydrogen produced by photoelectrochemical water splitting using sunlight could provide a carbon dioxide lean fuel as an alternative to fossil fuels. A major challenge in photoelectrochemical water splitting is to develop an efficient photoanode that can stably oxidize water into oxygen. Here we report an efficient and stable photoanode that couples an active barium-doped tantalum nitride nanostructure with a stable cobalt phosphate co-catalyst. The effect of barium doping on the photoelectrochemical activity of the photoanode is investigated. The photoanode yields a maximum solar energy conversion efficiency of 1.5%, which is more than three times higher than that of state-of-the-art single-photon photoanodes. Further, stoichiometric oxygen and hydrogen are stably produced on the photoanode and the counter electrode with Faraday efficiency of almost unity for 100 min. © 2013 Macmillan Publishers Limited. All rights reserved.

Technoeconomical analysis of the co-production of hydrogen energy and carbon materials

Science.gov (United States)

Guerra, Zuimdie

HECAM (Hydrogen Energy and Carbon Materials) is a new energy production strategy. The main paradigm of HECAM is that energy extracted from the carbon in hydrocarbon fuels is not worth the production of carbon dioxide. The hydrocarbon fuel is heated in an oxygen free environment and it is chemically decomposed by the heat into gases (mostly hydrogen and methane), small quantities of liquid (light oil and tar), and a solid residue containing carbon and ash (char or coke). More quantities of hydrocarbons will need to be used, but less carbon dioxide will be produced. HECAM is going to compete with steam methane reforming (SMR) to produce hydrogen. HECAM with thermocatalytic decomposition of methane and efficient sensible heat recovery has a production cost per gigajoule of hydrogen about 9% higher than SMR, but will produce about half the carbon dioxide emissions that SMR produces. If HECAM with efficient sensible heat recovery is used to produce electricity in a power plant, it will have a comparable electricity production cost and carbon dioxide emissions to a natural gas combined cycle (NGCC) power plant. The byproduct coke is not a waste residue, but a valuable co-product. Uses for the byproduct coke material may be carbon sequestration, mine land restoration, additive to enhance agricultural soils, low sulfur and mercury content heating fuel for power plants, new construction materials, or carbon-base industrial materials. This study investigated the use of byproduct coke for new construction materials. HECAM concrete substitute (HCS) materials will have a comparable cost with concrete when the cost of the raw materials is $65 per metric ton of HCS produced. HECAM brick substitute (HBS) materials will have 20% higher cost per brick than clay bricks. If the HECAM byproduct coke can be formed into bricks as a product of the HECAM process, the manufacture of HBS bricks will be cheaper and may be cost competitive with clay bricks. The results of this analysis are

Production and characterization of a novel carbon nanotube/titanium nitride nanocomposite

Science.gov (United States)

Baddour, Carole Emilie; Das, Kaushik; Vengallatore, Srikar; Meunier, Jean-Luc

2016-12-01

A novel titanium nitride (TiN)/carbon nanotube (CNT) nanocomposite is produced with the purpose to mechanically, structurally and chemically stabilize a ‘felt-like’ CNT growth structure. The CNTs are grown on stainless steel (SS) 304 by chemical vapor deposition using the direct growth method previously developed, which does not require the use of an additional catalyst precursor. The TiN coating is achieved by physical vapor deposition and is shown here to generate a nanocomposite with a porous three-dimensional architecture. The contact stiffness is evaluated using nanoindentation, and wetting properties of the TiN/CNT nanocomposites are determined from contact angle measurements. An increase in contact stiffness and effective elastic modulus with TiN coating time was observed. The TiN coating on the non-wetting CNT felt results in a wetting nanocomposite surface. The wetting property is found to be a function of the TiN coating thickness on the CNT structure.

Challenges in calculating the bandgap of triazine-based carbon nitride structures

KAUST Repository

Steinmann, Stephan N.

2017-02-08

Graphitic carbon nitrides form a popular family of materials, particularly as photoharvesters in photocatalytic water splitting cells. Recently, relatively ordered g-C3N4 and g-C6N9H3 were characterized by X-ray diffraction and their ability to photogenerate excitons was subsequently estimated using density functional theory. In this study, the ability of triazine-based g-C3N4 and g-C6N9H3 to photogenerate excitons was studied using self-consistent GW computations followed by solving the Bethe–Salpeter Equation (BSE). In particular, monolayers, bilayers and 3D-periodic systems were characterized. The predicted optical band gaps are in the order of 1 eV higher than the experimentally measured ones, which is explained by a combination of shortcomings in the adopted model, small defects in the experimentally obtained structures and the particular nature of the experimental determination of the band gap.

Are carbon nanostructures an efficient hydrogen storage medium?

NARCIS (Netherlands)

Hirscher, M.; Becher, M.; Haluska, M.; Zeppelin, von F.; Chen, X.; Dettlaff-Weglikowska, U.; Roth, S.

2003-01-01

Literature data on the storage capacities of hydrogen in carbon nanostructures show a scatter over several orders of magnitude which cannot be solely explained by the limited quantity or purity of these novel nanoscale materials. With this in mind, this article revisits important experiments.

Frequency effects and properties of plasma deposited fluorinated silicon nitride

International Nuclear Information System (INIS)

Chang, C.; Flamm, D.L.; Ibbotson, D.E.; Mucha, J.A.

1988-01-01

The properties of low-hydrogen, fluorinated plasma-enhanced chemical vapor deposition (PECVD) silicon nitride films grown using NF 3 /SiH 4 /N 2 feed mixtures in 200 kHz and 14 MHz discharges were compared. High-energy ion bombardment at 200 kHz is expected to enhance surface diffusion and chemical reconstruction. Compared to fluorinated silicon nitride deposited at 14 MHz under otherwise comparable conditions, the 200 kHz films had a lower Si--H bond concentration (approx. 21 cm -3 ), lower total hydrogen content (5--8 x 10 21 cm -3 ), better resistance to oxidation, lower compressive stress (-0.7 to -1.5 Gdyne/cm), and higher density (3.1 g/cm 3 ). The dielectric constant of better low-frequency Class I films was constant to 500 MHz, while that of high-frequency films fell up to 15% between 100 Hz and 10 MHz. The absorption edges of low-frequency PECVD fluorinated silicon nitride films were between 5.0 and 6.1 eV, which compare with 4.4 to 5.6 eV for the high-excitation frequency fluorinated material and 3 to 4 eV for conventional PECVD nitride. However high-frequency films may have fewer trap centers and a lower dielectric constant. 14 MHz p-SiN:F films grown with NH 3 as an auxiliary nitrogen source showed absorption edges similar to low-frequency material grown from NF 3 /SiH 4 /N 2 , but they have substantially more N--H bonding. The dielectric constant and absorption edge of these films were comparable to those of low-frequency p-SiN:F from NF 3 /SiH 4 /N 2

The hydrogen and oxygen content of self-supporting carbon foils prepared by dc glow discharge in ethylene

International Nuclear Information System (INIS)

Tait, N.R.S.; Tolfree, D.W.L.; John, P.; Odeh, I.M.; Thomas, M.J.K.; Tricker, M.J.; Wilson, J.J.B.; England, J.B.A.; Newton, D.

1980-01-01

The hydrogen and oxygen content of self-supporting carbon films produced by dc glow discharge have been determined using a precise method involving the elastic scattering of 25 MeV α-particles. The number of carbon-hydrogen bonds has been determined for similar samples using infrared spectroscopy. The results are compared with those for samples made by the carbon arc process. Assuming that the glow discharge carbon contains graphitic regions surrounded by amorphous tetrahedrally bonded material to which hydrogen can attach, a simple estimate is made of the relative numbers of carbon atoms in the two forms. (orig.)

Influence of surface treatments on micropore structure and hydrogen adsorption behavior of nanoporous carbons.

Science.gov (United States)

Kim, Byung-Joo; Park, Soo-Jin

2007-07-15

The scope of this work was to control the pore sizes of porous carbons by various surface treatments and to investigate the relation between pore structures and hydrogen adsorption capacity. The effects of various surface treatments (i.e., gas-phase ozone, anodic oxidation, fluorination, and oxygen plasma) on the micropore structures of porous carbons were investigated by N(2)/77 K isothermal adsorption. The hydrogen adsorption capacity was measured by H(2) isothermal adsorption at 77 K. In the result, the specific surface area and micropore volume of all of the treated samples were slightly decreased due to the micropore filling or pore collapsing behaviors. It was also found that in F(2)-treated carbons the center of the pore size distribution was shifted to left side, meaning that the average size of the micropores decreased. The F(2)- and plasma-treated samples showed higher hydrogen storage capacities than did the other samples, the F(2)-treated one being the best, indicating that the micropore size of the porous carbons played a key role in the hydrogen adsorption at 77 K.

Carbon dioxide emission in hydrogen production technology from coke oven gas with life cycle approach

Directory of Open Access Journals (Sweden)

Burmistrz Piotr

2016-01-01

Full Text Available The analysis of Carbon Footprint (CF for technology of hydrogen production from cleaned coke oven gas was performed. On the basis of real data and simulation calculations of the production process of hydrogen from coke gas, emission indicators of carbon dioxide (CF were calculated. These indicators are associated with net production of electricity and thermal energy and direct emission of carbon dioxide throughout a whole product life cycle. Product life cycle includes: coal extraction and its transportation to a coking plant, the process of coking coal, purification and reforming of coke oven gas, carbon capture and storage. The values were related to 1 Mg of coking blend and to 1 Mg of the hydrogen produced. The calculation is based on the configuration of hydrogen production from coke oven gas for coking technology available on a commercial scale that uses a technology of coke dry quenching (CDQ. The calculations were made using ChemCAD v.6.0.2 simulator for a steady state of technological process. The analysis of carbon footprint was conducted in accordance with the Life Cycle Assessment (LCA.

Detection of carbon dioxide in the gases evolved during the hot extraction determination of hydrogen in uranium ingots

International Nuclear Information System (INIS)

Jursik, M.L.; Pope, J.D.

1977-08-01

The hot extraction method was used at the National Lead Company of Ohio to determine hydrogen in uranium metal at the 2 ppM level. The volume of gas evolved from the heated sample was assumed to be hydrogen. When a liquid nitrogen trap was placed into the system the hydrogen values were reduced 5 to 10%. The gas retained by the nitrogen trap was identified by mass spectrometry as predominantly carbon dioxide. Low hydrogen values were observed only when the nitrogen trap was used in the analysis of high-carbon (300 to 600 ppM) uranium from NLO production ingots. However, hydrogen values for low-carbon (30 to 50 ppM) uranium were unaffected by the nitrogen trap. The formation of carbon dioxide appears to be associated with the carbon content of the uranium metal. Comparisons of hydrogen values obtained with the hot extraction method and with an inert fusion--thermal conductivity method are also presented. 3 tables, 4 figures

Structural insights into photocatalytic performance of carbon nitrides for degradation of organic pollutants

Science.gov (United States)

Oh, Junghoon; Shim, Yeonjun; Lee, Soomin; Park, Sunghee; Jang, Dawoon; Shin, Yunseok; Ohn, Saerom; Kim, Jeongho; Park, Sungjin

2018-02-01

Degradation of organic pollutants has a large environmental impact, with graphitic carbon nitride (g-C3N4) being a promising metal-free, low cost, and environment-friendly photocatalyst well suited for this purpose. Herein, we investigate the photocatalytic performance of g-C3N4-based materials and correlate it with their structural properties, using three different precursors (dicyandiamide, melamine, and urea) and two heating processes (direct heating at 550 °C and sequential heating at 300 and 550 °C) to produce the above photocatalysts. We further demonstrate that sequential heating produces photocatalysts with grain sizes and activities larger than those of the catalysts produced by direct heating and that the use of urea as a precursor affords photocatalysts with larger surface areas, allowing efficient rhodamine B degradation under visible light.

Visible-Light-Driven Hydrogen Evolution Using Planarized Conjugated Polymer Photocatalysts.

Science.gov (United States)

Sprick, Reiner Sebastian; Bonillo, Baltasar; Clowes, Rob; Guiglion, Pierre; Brownbill, Nick J; Slater, Benjamin J; Blanc, Frédéric; Zwijnenburg, Martijn A; Adams, Dave J; Cooper, Andrew I

2016-01-26

Linear poly(p-phenylene)s are modestly active UV photocatalysts for hydrogen production in the presence of a sacrificial electron donor. Introduction of planarized fluorene, carbazole, dibenzo[b,d]thiophene or dibenzo[b,d]thiophene sulfone units greatly enhances the H 2 evolution rate. The most active dibenzo[b,d]thiophene sulfone co-polymer has a UV photocatalytic activity that rivals TiO 2 , but is much more active under visible light. The dibenzo[b,d]thiophene sulfone co-polymer has an apparent quantum yield of 2.3 % at 420 nm, as compared to 0.1 % for platinized commercial pristine carbon nitride.

Study on the production of alternative fuels by carbon dioxide hydrogenation

Energy Technology Data Exchange (ETDEWEB)

Sim, Kyu Sung; Han, Sang Do; Kim, Jong Won; Kim, Youn Soon; Seo, Ji Mi [Korea Inst. of Energy Research, Taejon (Korea, Republic of)

1995-12-01

The technologies of the fuel production from carbon dioxide by catalytic hydrogenation were surveyed. For the catalytic hydrogenation we made the lab-scale reaction apparatus and carried out some experiments with various catalysts like CuO/ZnO/Al{sub 2}O{sub 3}, Raney nickel and other commercial catalysts. In this year, the third year of the project, the experiments to find optimum catalysts and obtain the good conditions of carbon dioxide were performed followed by second year. And also the processes of the methanol synthesis was investigated simultaneously. (author). 58 refs., 58 figs., 28 tabs.

Coulometric determination of dissolved hydrogen with a multielectrolytic modified carbon felt electrode-based sensor.

Science.gov (United States)

Matsuura, Hiroaki; Yamawaki, Yosuke; Sasaki, Kosuke; Uchiyama, Shunichi

2013-06-01

A multielectrolytic modified carbon electrode (MEMCE) was fabricated by the electrolytic-oxidation/reduction processes. First, the functional groups containing nitrogen atoms such as amino group were introduced by the electrode oxidation of carbon felt electrode in an ammonium carbamate aqueous solution, and next, this electrode was electroreduced in sulfuric acid. The redox waves between hydrogen ion and hydrogen molecule at highly positive potential range appeared in the cyclic voltammogram obtained by MEMCE. A coulometric cell using MEMCE with a catalytic activity of electrooxidation of hydrogen molecule was constructed and was used for the measurement of dissolved hydrogen. The typical current vs. time curve was obtained by the repetitive measurement of the dissolved hydrogen. These curves indicated that the measurement of dissolved hydrogen was finished completely in a very short time (ca. 10 sec). A linear relationship was obtained between the electrical charge needed for the electrooxidation process of hydrogen molecule and dissolved hydrogen concentration. This indicates that the developed coulometric method can be used for the determination of the dissolved hydrogen concentration.

Sixfold ring clustering in sp2-dominated carbon and carbon nitride thin films: A Raman spectroscopy study

International Nuclear Information System (INIS)

Abrasonis, G.; Gago, R.; Vinnichenko, M.; Kreissig, U.; Kolitsch, A.; Moeller, W.

2006-01-01

The atomic arrangement in sp 2 -dominated carbon (C) and carbon nitride (CN x ) thin films has been studied by Raman spectroscopy as a function of substrate temperature and, in the case of CN x , different N incorporation routes (growth methods). In this way, materials composing graphitelike, fullerenelike (FL), and paracyanogenlike structures have been compared. The results show that each type of arrangement results in a characteristic set of the Raman spectra parameters, which describe the degree of aromatic clustering, bond length, and angle distortion and order in sixfold structures. In the case of C films, the atomic structure evolves with substrate temperature from a disordered network to nanocrystalline planar graphitic configurations, with a progressive promotion in size and ordering of sixfold ring clusters. Nitrogen incorporation favors the promotion of sixfold rings in highly disordered networks produced at low temperatures, but precludes the formation of extended graphiticlike clusters at elevated substrate temperatures (>700 K). In the latter case, N introduces a high degree of disorder in sixfold ring clusters and enhances the formation of a FL microstructure. The formation and growth of aromatic clusters are discussed in terms of substrate temperature, N incorporation, growth rate, film-forming sources, and concurrent bombardment by hyperthermal particles during growth

Influence of disorder on localization and density of states in amorphous carbon nitride thin films systems rich in π-bonded carbon atoms

International Nuclear Information System (INIS)

Alibart, F.; Lejeune, M.; Durand Drouhin, O.; Zellama, K.; Benlahsen, M.

2010-01-01

We discuss in this paper the evolution of both the density of states (DOS) located between the band-tail states and the DOS around the Fermi level N(E F ) in amorphous carbon nitride films (a-CN x ) as a function of the total nitrogen partial pressure ratio in the Ar/N 2 plasma mixture. The films were deposited by three different deposition techniques and their microstructure was characterized using a combination of infrared and Raman spectroscopy and optical transmission experiments, completed with electrical conductivity measurements, as a function of temperature. The observed changes in the optoelectronic properties are attributed to the modification in the atomic bonding structures, which were induced by N incorporation, accompanied by an increase in the sp 2 carbon bonding configurations and their relative disorder. The electrical conductivity variation was interpreted in terms of local effects on the nature and energy distribution of π and π* states.

Influence of nitrogen ion implantation on hydrogen permeation in an extra mild steel

International Nuclear Information System (INIS)

Brass, A.M.; Chene, J.; Pivin, J.C.

1989-01-01

This paper presents the first results on the effect of nitrogen implantation on hydrogen permeation in steels. Nitrogen can modify superficially the steel's chemistry and/or microstructure depending on the fluence and thereby affect the processes of hydrogen diffusion and trapping. The implantations were performed on low carbon steel specimens with different nominal doses (1% to 10% and 33% nitrogen in a superficial layer of approximately 100 to 120 nm). The corresponding microstructures were characterized and permeation tests were conducted at room temperature in a double electrolytic cell. The nitrogen implanted layers on iron affects the electrochemical behaviour of the surface and the permeation in the material. This effect depends on the nitrogen concentration in the layer and on the corresponding microstructure. A continuous Fe 2 N layer acts as an efficient barrier to hydrogen entry and permeation when the layer is located on the entry face of the permeation membrane. This effect is stronger when the implanted layer is on the downstream face of the membrane. The low permeability values are mainly attributed to a lower hydrogen solubility in the implanted layer, whereas hydrogen trapping on defects and nitride precipitates delay hydrogen penetration. (author)

New insights on electrochemical hydrogen storage in nanoporous carbons by in situ Raman spectroscopy

OpenAIRE

Leyva García, Sarai; Morallón Núñez, Emilia; Cazorla Amorós, Diego; Béguin, François; Lozano Castelló, Dolores

2014-01-01

In situ Raman spectroscopy was exploited to analyze the interaction between carbon and hydrogen during electrochemical hydrogen storage at cathodic conditions. Two different activated carbons were used and characterized by different electrochemical techniques in two electrolytes (6 M KOH and 0.5 M Na2SO4). The in situ Raman spectra collected showed that, in addition to the D and G bands associated to the graphitic carbons, two bands appear simultaneously at about 1110 and 1500 cm−1 under cath...

Negative-ion production on carbon materials in hydrogen plasma : influence of the carbon hybridization state and the hydrogen content on H- yield

NARCIS (Netherlands)

Ahmad, A.; Pardanaud, C.; Carrère, M.; Layet, J.M.; Gicquel, A.; Kumar, P.; Eon, D.; Jaoul, C.; Engeln, R.A.H.; Cartry, G.

2014-01-01

Highly oriented polycrystalline graphite (HOPG), boron-doped diamond (BDD), nanocrystalline diamond, ultra-nanocrystalline diamond and diamond-like carbon surfaces are exposed to low-pressure hydrogen plasma in a 13.56 MHz plasma reactor. Relative yields of surface-produced H- ions due to

Renewable Hydrogen Carrier — Carbohydrate: Constructing the Carbon-Neutral Carbohydrate Economy

Directory of Open Access Journals (Sweden)

Y.-H. Percival Zhang

2011-01-01

Full Text Available The hydrogen economy presents an appealing energy future but its implementation must solve numerous problems ranging from low-cost sustainable production, high-density storage, costly infrastructure, to eliminating safety concern. The use of renewable carbohydrate as a high-density hydrogen carrier and energy source for hydrogen production is possible due to emerging cell-free synthetic biology technology—cell-free synthetic pathway biotransformation (SyPaB. Assembly of numerous enzymes and co-enzymes in vitro can create complicated set of biological reactions or pathways that microorganisms or catalysts cannot complete, for example, C6H10O5 (aq + 7 H2O (l à 12 H2 (g + 6 CO2 (g (PLoS One 2007, 2:e456. Thanks to 100% selectivity of enzymes, modest reaction conditions, and high-purity of generated hydrogen, carbohydrate is a promising hydrogen carrier for end users. Gravimetric density of carbohydrate is 14.8 H2 mass% if water can be recycled from proton exchange membrane fuel cells or 8.33% H2 mass% without water recycling. Renewable carbohydrate can be isolated from plant biomass or would be produced from a combination of solar electricity/hydrogen and carbon dioxide fixation mediated by high-efficiency artificial photosynthesis mediated by SyPaB. The construction of this carbon-neutral carbohydrate economy would address numerous sustainability challenges, such as electricity and hydrogen storage, CO2 fixation and long-term storage, water conservation, transportation fuel production, plus feed and food production.

CO Cleavage and CO2 Functionalization under Mild Conditions by a Multimetallic CsU2 Nitride Complex.

Science.gov (United States)

Falcone, Marta; Chatelain, Lucile; Scopelliti, Rosario; Mazzanti, Marinella

2017-04-26

Novel efficient chemical processes involving cheap and widely accessible carbon dioxide or carbon monoxide under mild conditions for the production of valuable chemical products are highly desirable in the current energetic context. Uranium nitride materials act as high activity catalysts in the Haber-Bosch process but the reactivity of molecular nitride compounds remains unexplored. Here we review recent results obtained in our group showing that a multimetallic nitride complex [Cs{[U(OSi(OtBu)3)3]2(μ-N)}] (1) with a CsUIV-N-UIV core, is able to promote N-C bond formation due to its strong nucleophile behaviour. In particular, complex 1, in the presence of excess CO2 leads to a remarkable dicarbamate product. The multimetallic CsUIV-N-UIV nitride also readily cleaves the C≡O bond under mild conditions.

Characterization of nitrides in an AISI 1010 steel

International Nuclear Information System (INIS)

Naquid G, C.

1998-01-01

It was characterized the phase formation in the 1010 carbon steel nitrided in a plasma reactor nearby to eutectoid point. The microstructure and identification of these ones were evaluated by Optical microscopy (OM), Dilatometry and X-ray diffraction (XRD). (Author)

Hydrogen storage behaviors of platinum-supported multi-walled carbon nanotubes

Energy Technology Data Exchange (ETDEWEB)

Park, Soo-Jin; Lee, Seul-Yi [Department of Chemistry, Inha University, 253 Nam-gu, Incheon 402-751 (Korea, Republic of)

2010-12-15

In this work, the hydrogen storage behaviors of multi-walled carbon nanotubes (MWNTs) loaded by crystalline platinum (Pt) particles were studied. The microstructure of the Pt/MWNTs was characterized by X-ray diffraction and transmission electron microscopy. The pore structure and total pore volumes of the Pt/MWNTs were analyzed by N{sub 2}/77 K adsorption isotherms. The hydrogen storage capacity of the Pt/MWNTs was evaluated at 298 K and 100 bar. From the experimental results, it was found that Pt particles were homogeneously distributed on the MWNT surfaces. The amount of hydrogen storage capacity increased in proportion to the Pt content, with Pt-5/MWNTs exhibiting the largest hydrogen storage capacity. The superior amount of hydrogen storage was linked to an increase in the number of active sites and the optimum-controlled micropore volume for hydrogen adsorption due to the well-dispersed Pt particles. Therefore, it can be concluded that Pt particles play an important role in hydrogen storage characteristics due to the hydrogen spillover effect. (author)

Concise N-doped Carbon Nanosheets/Vanadium Nitride Nanoparticles Materials via Intercalative Polymerization for Supercapacitors.

Science.gov (United States)

Tan, Yongtao; Liu, Ying; Tang, Zhenghua; Wang, Zhe; Kong, Lingbin; Kang, Long; Liu, Zhen; Ran, Fen

2018-02-13

N-doped carbon nanosheets/vanadium nitride nanoparticles (N-CNS/VNNPs) are synthesized via a novel method combining surface-initiated in-situ intercalative polymerization and thermal-treatment process in NH 3 /N 2 atmosphere. The pH value of the synthesis system plays a critical role in constructing the structure and enhancing electrochemical performance for N-CNS/VNNPs, which are characterized by SEM, TEM, XRD, and XPS, and measured by electrochemical station, respectively. The results show that N-CNS/VNNPs materials consist of 2D N-doped carbon nanosheets and 0D VN nanoparticles. With the pH value decreasing from 2 to 0, the sizes of both carbon nanosheets and VN nanoparticles decreased to smaller in nanoscale. The maximum specific capacitance of 280 F g -1 at the current density of 1 A g -1 for N-CNS/VNNPs is achieved in three-electrode configuration. The asymmetric energy device of Ni(OH) 2 ||N-CNS/VNNPs offers a specific capacitance of 89.6 F g -1 and retention of 60% at 2.7 A g -1 after 5000 cycles. The maximum energy density of Ni(OH) 2 ||N-CNS/VNNPs asymmetric energy device is as high as 29.5 Wh kg -1 .

Hydrogen adsorption and desorption in carbon nanotube systems and its mechanisms

Energy Technology Data Exchange (ETDEWEB)

Shiraishi, M.; Takenobu, T.; Ata, M. [Materials Laboratories, SONY Corporation, Shin-Sakuragaoka 2-1-1, Hodogaya-ku, 240-0036, Yokohama (Japan); Kataura, H. [Department of Physics, Faculty of Science, Tokyo Metropolitan University, Minami-Osawa, Hachioji, 192-0397, Tokyo (Japan)

2004-04-01

The hydrogen physisorption properties in single-walled carbon nanotube (SWNT) based materials were characterized. The SWNTs were highly purified and three useful pores for hydrogen physisorption were activated. Hydrogen was physisorbed in intra-tube pores at room temperature and the capacity was estimated to be about 0.3-0.4 wt. % at room temperature. The adsorption capacity can be explained by the Langmuir model. The intra-tube pores have large adsorption potential and this induces hydrogen physisorption at comparatively higher temperatures. This fact indicates the importance of fabricating sub-nanometer ordered pores for this phenomena. (orig.)

DFT Perspective on the Thermochemistry of Carbon Nitride Synthesis

KAUST Repository

Melissen, Sigismund T. A. G.; Steinmann, Stephan N.; Le Bahers, Tangui; Sautet, Philippe

2016-01-01

Graphitic (g)-CxNyHz has become a popular family of photoharvesters in photocatalytic water splitting cells, as well as other applications in chemistry. In this Article, different g-CxNyHz structures were studied thermochemically using DFT. Following a benchmark study with different families of functionals, the B3LYP functional was shown to accurately capture the thermochemistry of carbon nitride synthesis. A triple-ζ polarized basis set, in combination with Civalleri’s modification to Grimme’s D2 formalism (with s6 = 0.5) for dispersion interactions, yielded accurate geometries. Grimme’s D3 formalism with Becke–Johnson damping was used to refine the energetic description of dispersion interactions. The stepwise cycloaddition of cyanamide to form melamine was shown to be exergonic, whereas the stepwise deamination of melamine to form g-C3N4 was shown to be endergonic. Of those structures respecting the [C6N9H3]n chemical formula, the structure commonly known as “melon” was found to be most stable, whereas the sp3-hybridized [C6N9H3]n elucidated by Horvath-Bordon et al. was found to be the least stable. Fully polymerized triazine-based g-C3N4 appeared slightly more stable than heptazine-based g-C3N4.

DFT Perspective on the Thermochemistry of Carbon Nitride Synthesis

KAUST Repository

Melissen, Sigismund T. A. G.

2016-10-11

Graphitic (g)-CxNyHz has become a popular family of photoharvesters in photocatalytic water splitting cells, as well as other applications in chemistry. In this Article, different g-CxNyHz structures were studied thermochemically using DFT. Following a benchmark study with different families of functionals, the B3LYP functional was shown to accurately capture the thermochemistry of carbon nitride synthesis. A triple-ζ polarized basis set, in combination with Civalleri’s modification to Grimme’s D2 formalism (with s6 = 0.5) for dispersion interactions, yielded accurate geometries. Grimme’s D3 formalism with Becke–Johnson damping was used to refine the energetic description of dispersion interactions. The stepwise cycloaddition of cyanamide to form melamine was shown to be exergonic, whereas the stepwise deamination of melamine to form g-C3N4 was shown to be endergonic. Of those structures respecting the [C6N9H3]n chemical formula, the structure commonly known as “melon” was found to be most stable, whereas the sp3-hybridized [C6N9H3]n elucidated by Horvath-Bordon et al. was found to be the least stable. Fully polymerized triazine-based g-C3N4 appeared slightly more stable than heptazine-based g-C3N4.

Synthesis and characterization of thin films of nitrided amorphous carbon deposited by laser ablation

International Nuclear Information System (INIS)

Rebollo P, B.

2001-01-01

The objective of this work is the synthesis and characterization of thin films of amorphous carbon (a-C) and thin films of nitrided amorphous carbon (a-C-N) using the laser ablation technique for their deposit. For this purpose, the physical properties of the obtained films were studied as function of diverse parameters of deposit such as: nitrogen pressure, power density, substrate temperature and substrate-target distance. For the characterization of the properties of the deposited thin films the following techniques were used: a) Raman spectroscopy which has demonstrated being a sensitive technique to the sp 2 and sp 3 bonds content, b) Energy Dispersive Spectroscopy which allows to know semi-quantitatively way the presence of the elements which make up the deposited films, c) Spectrophotometry, for obtaining the absorption spectra and subsequently the optical energy gap of the deposited material, d) Ellipsometry for determining the refraction index, e) Scanning Electron Microscopy for studying the surface morphology of thin films and, f) Profilemetry, which allows the determination the thickness of the deposited thin films. (Author)

A synthesis method for cobalt doped carbon aerogels with high surface area and their hydrogen storage properties

Energy Technology Data Exchange (ETDEWEB)

Tian, H.Y.; Buckley, C.E. [Department of Imaging and Applied Physics, Curtin University of Technology, GPO Box U 1987, Perth 6845, WA (Australia); CSIRO National Hydrogen Materials Alliance, CSIRO Energy Centre, 10 Murray Dwyer Circuit, Steel River Estate, Mayfield West, NSW 2304 (Australia); Sheppard, D.A.; Paskevicius, M. [Department of Imaging and Applied Physics, Curtin University of Technology, GPO Box U 1987, Perth 6845, WA (Australia); Hanna, N. [CSIRO Process Science and Engineering, Waterford, WA (Australia)

2010-12-15

Carbon aerogels doped with nanoscaled Co particles were prepared by first coating activated carbon aerogels using a wet-thin layer coating process. The resulting metal-doped carbon aerogels had a higher surface area ({proportional_to}1667 m{sup 2} g{sup -1}) and larger micropore volume ({proportional_to}0.6 cm{sup 3} g{sup -1}) than metal-doped carbon aerogels synthesised using other methods suggesting their usefulness in catalytic applications. The hydrogen adsorption behaviour of cobalt doped carbon aerogel was evaluated, displaying a high {proportional_to}4.38 wt.% H{sub 2} uptake under 4.6 MPa at -196 C. The hydrogen uptake capacity with respect to unit surface area was greater than for pure carbon aerogel and resulted in {proportional_to}1.3 H{sub 2} (wt. %) per 500 m{sup 2} g{sup -1}. However, the total hydrogen uptake was slightly reduced as compared to pure carbon aerogel due to a small reduction in surface area associated with cobalt doping. The improved adsorption per unit surface area suggests that there is a stronger interaction between the hydrogen molecules and the cobalt doped carbon aerogel than for pure carbon aerogel. (author)

Adsorption/oxidation of hydrogen sulfide on nitrogen-containing activated carbons

Energy Technology Data Exchange (ETDEWEB)

Adib, F.; Bagreev, A.; Bandosz, T.J.

2000-02-22

Wood-based activated carbon was modified by impregnation with urea and heat treatment at 450 and 950 C. The chemical and physical properties of materials were determined using acid/base titration, FTIR, thermal analysis, IGC, and sorption of nitrogen. The surface features were compared to those of a commercial urea-modified carbon. Then, the H{sub 2}S breakthrough capacity tests were carried out, and the sorption capacity was evaluated. The results showed that urea-modified sorbents have a capacity similar to that of the received material; however, the conversion of hydrogen sulfide to a water-soluble species is significantly higher. It happens due to a high dispersion of basic nitrogen compounds in the small pores of carbons, where oxidation of hydrogen sulfide ions to sulfur radicals followed by the creation of sulfur oxides and sulfuric acid occurs. It is proposed that the process proceeds gradually, from small pores to larger, and that the degree of microporosity is an important factor.

Carbon catalysts for electrochemical hydrogen peroxide production in acidic media

DEFF Research Database (Denmark)

Čolić, Viktor; Yang, Sungeun; Révay, Zsolt

2018-01-01

Hydrogen peroxide is a commodity chemical, as it is an environmentally friendly oxidant. The electrochemical production of H2O2 from oxygen and water by the reduction of oxygen is of great interest, as it would allow the decentralized, on-site, production of pure H2O2. The ability to run...... the reaction in an acidic electrolyte with high performance is particularly important, as it would allow the use of polymer solid electrolytes and the production of pH-neutral hydrogen peroxide. Carbon catalysts, which are cheap, abundant, durable and can be highly selective show promise as potential catalysts...... for such systems. In this work, we examine the electrocatalytic performance and properties of seven commercially available carbon materials for H2O2 production by oxygen electroreduction. We show that the faradaic efficiencies for the reaction lie in a wide range of 18-82% for different carbon catalysts. In order...

Hydrogenated amorphous carbon next deposit after heat treatment

International Nuclear Information System (INIS)

Salancon, E.; Durbeck, T.; Schwarz-Selinger, T.; Jacob, W.

2006-01-01

One of the main safety problems in the ITER tokamak project is the tritium adsorption in the reactor walls and in particular the deposits which appear after the plasma discharge. These deposits are amorphous hydrogenated carbon films, type polymer (soft a-C:H). The heating of these deposits with a pulse laser is a proposed solution for the tritium desorption. Meanwhile, Gibson and al show that in experimental conditions, products are deposed on the walls before entering the mass spectrometer. The authors present thermo-desorption spectra of different amorphous carbon films. (A.L.B.)

A Low-Stress, Elastic, and Improved Hardness Hydrogenated Amorphous Carbon Film

Directory of Open Access Journals (Sweden)

Qi Wang

2015-01-01

Full Text Available The evolution of hydrogenated amorphous carbon films with fullerene-like microstructure was investigated with a different proportion of hydrogen supply in deposition. The results showed at hydrogen flow rate of 50 sccm, the deposited films showed a lower compressive stress (lower 48.6%, higher elastic recovery (higher 19.6%, near elastic recovery rate 90%, and higher hardness (higher 7.4% compared with the films deposited without hydrogen introduction. Structural analysis showed that the films with relatively high sp2 content and low bonded hydrogen content possessed high hardness, elastic recovery rate, and low compressive stress. It was attributed to the curved graphite microstructure, which can form three-dimensional covalently bonded network.

Method of preparing uranium nitride or uranium carbonitride bodies

International Nuclear Information System (INIS)

Wilhelm, H.A.; McClusky, J.K.

1976-01-01

Sintered uranium nitride or uranium carbonitride bodies having a controlled final carbon-to-uranium ratio are prepared, in an essentially continuous process, from U 3 O 8 and carbon by varying the weight ratio of carbon to U 3 O 8 in the feed mixture, which is compressed into a green body and sintered in a continuous heating process under various controlled atmospheric conditions to prepare the sintered bodies. 6 claims, no drawings

Hydrogen adsorption on activated carbon nanotubes with an atomic-sized vanadium catalyst investigated by electrical resistance measurements

International Nuclear Information System (INIS)

Im, Ji Sun; Yun, Jumi; Kang, Seok Chang; Lee, Sung Kyu; Lee, Young-Seak

2012-01-01

Activated multi-walled carbon nanotubes were prepared with appended vanadium as a hydrogen storage medium. The pore structure was significantly improved by an activation process that was studied using Raman spectroscopy, field emission transmission electron microscopy and pore analysis techniques. X-ray photoelectron spectroscopy and X-ray diffraction results reveal that the vanadium catalyst was introduced into the carbon nanotubes in controlled proportions, forming V 8 C 7 . The improved pore structure functioned as a path through the carbon nanotubes that encouraged hydrogen molecule adsorption, and the introduced vanadium catalyst led to high levels of hydrogen storage through the dissociation of hydrogen molecules via the spill-over phenomenon. The hydrogen storage behavior was investigated by electrical resistance measurements for the hydrogen adsorbed on a prepared sample. The proposed mechanism of hydrogen storage suggests that the vanadium catalyst increases not only the amount of hydrogen that is stored but also the speed at which it is stored. A hydrogen storage capacity of 2.26 wt.% was achieved with the activation effects and the vanadium catalyst at 30 °C and 10 MPa.

Reversible Assembly of Graphitic Carbon Nitride 3D Network for Highly Selective Dyes Absorption and Regeneration.

Science.gov (United States)

Zhang, Yuye; Zhou, Zhixin; Shen, Yanfei; Zhou, Qing; Wang, Jianhai; Liu, Anran; Liu, Songqin; Zhang, Yuanjian

2016-09-27

Responsive assembly of 2D materials is of great interest for a range of applications. In this work, interfacial functionalized carbon nitride (CN) nanofibers were synthesized by hydrolyzing bulk CN in sodium hydroxide solution. The reversible assemble and disassemble behavior of the as-prepared CN nanofibers was investigated by using CO2 as a trigger to form a hydrogel network at first. Compared to the most widespread absorbent materials such as active carbon, graphene and previously reported supramolecular gel, the proposed CN hydrogel not only exhibited a competitive absorbing capacity (maximum absorbing capacity of methylene blue up to 402 mg/g) but also overcame the typical deficiencies such as poor selectivity and high energy-consuming regeneration. This work would provide a strategy to construct a 3D CN network and open an avenue for developing smart assembly for potential applications ranging from environment to selective extraction.

Nanosized Magnesium Electrochemically Deposited on a Carbon Nanotubes Suspension: Synthesis and Hydrogen Storage

Energy Technology Data Exchange (ETDEWEB)

Shen, Chaoqi; Aguey-Zinsou, Kondo-Francois, E-mail: f.aguey@unsw.edu.au [MERLin, School of Chemical Engineering, The University of New South Wales, Sydney, NSW (Australia)

2017-10-17

Herein, we report on a novel method for deposition of magnesium (Mg) nanoparticles at the surface of carbon materials. Through the suspension of carbon nanotubes (CNTs) in an electrolyte containing di-n-butylmagnesium as a precursor, Mg nanoparticles were effectively deposited at the surface of the CNTs as soon as these touched the working electrode. Through this process, CNTs supported Mg particles as small as 1 nm were synthesized and the distribution of the nanoparticles was found to be influenced by the concentration of the CNTs in the electrolyte. Hydrogenation of these nanoparticles at 100°C was found to lead to low temperature hydrogen release starting at 150°C, owing to shorter diffusion paths and higher hydrogen mobility in small Mg particles. However, these hydrogen properties drastically degraded as soon as the hydrogenation temperature exceeded 200°C and this may be related to the low melting temperature of ultrasmall Mg particles.

Nanosized Magnesium Electrochemically Deposited on a Carbon Nanotubes Suspension: Synthesis and Hydrogen Storage

Directory of Open Access Journals (Sweden)

Chaoqi Shen

2017-10-01

Full Text Available Herein, we report on a novel method for deposition of magnesium (Mg nanoparticles at the surface of carbon materials. Through the suspension of carbon nanotubes (CNTs in an electrolyte containing di-n-butylmagnesium as a precursor, Mg nanoparticles were effectively deposited at the surface of the CNTs as soon as these touched the working electrode. Through this process, CNTs supported Mg particles as small as 1 nm were synthesized and the distribution of the nanoparticles was found to be influenced by the concentration of the CNTs in the electrolyte. Hydrogenation of these nanoparticles at 100°C was found to lead to low temperature hydrogen release starting at 150°C, owing to shorter diffusion paths and higher hydrogen mobility in small Mg particles. However, these hydrogen properties drastically degraded as soon as the hydrogenation temperature exceeded 200°C and this may be related to the low melting temperature of ultrasmall Mg particles.

Effects of hydrogen adsorption on the properties of double wall BN and (BN){sub x}C{sub y} nanotubes

Energy Technology Data Exchange (ETDEWEB)

Freitas, A. [Departamento de Física, Universidade Federal da Paraíba, Caixa Postal 5008, 58059-900 João Pessoa, PB (Brazil); Azevedo, S., E-mail: sazevedo@fisica.ufpb.br [Departamento de Física, Universidade Federal da Paraíba, Caixa Postal 5008, 58059-900 João Pessoa, PB (Brazil); Kaschny, J.R. [Instituto Federal da Bahia – Campus Vitoria da Conquista, Avenida Amazonas 3150, 45030-220 Vitória da Conquista, BA (Brazil)

2016-01-15

In the present contribution, we apply first-principles calculations, based on the density functional theory, to study the effects of hydrogen adsorption on the structural and electronic properties of boron nitride and hybrid carbon–boron nitride double wall nanotubes. The results demonstrate that the hydrogen decoration induces significant structural deformation and an appreciable reduction in the gap energy. When the number of hydrogen atoms introduced on the outer wall is increased, desorption of hydrogen pairs are observed. The calculations indicate that each adsorbed hydrogen atom induces a structural deformation with an energetic cost of about 68 meV/atom. It is also found that the introduction of hydrogen atoms can be applied as an efficient tool for tuning the electronic properties of such structures. - Graphical abstract: Localized density of states of a hydrogenated double wall boron nitride nanotube. Some hydrogen pairs are desorbed, forming H{sub 2} molecules. - Highlights: • Hydrogenation induces structural deformation and reduction in the gap energy. • Each H atom induces a deformation with an energetic cost of about 68 meV/atom. • In some cases, desorption of H pairs from the outer wall is observed.

Thermogravimetric measurement of hydrogen storage in carbon-based materials: promise and pitfalls

International Nuclear Information System (INIS)

Pinkerton, F.E.; Wicke, B.G.; Olk, C.H.; Tibbetts, G.G.; Meisner, G.P.; Meyer, M.S.; Herbst, J.F.

2000-01-01

We have used a thermogravimetric analyzer (TGA) to measure the hydrogen absorption capacity of a variety of carbon-based storage materials, including Li- and K-intercalated graphite and Li-doped multi-wall nanotubes. The TGA uses weight gain/loss as a function of time and temperature to monitor hydrogen absorption/desorption in flowing hydrogen gas. Creating and maintaining a contaminant-free atmosphere is critical to the accurate TGA measurement of hydrogen absorption in carbon-based materials; even low concentrations of impurity gases such as O 2 or H 2 O are sufficient to masquerade as hydrogen absorption. We will discuss examples of this effect relevant to recent reports of hydrogen storage appearing in the literature. The precautions required are non-trivial. In our TGA, for instance, about 16% of the original atmosphere remains after a two-hour purge; at least 15 hours is required to fully purge the apparatus. Furthermore, we cover the TGA with a protective atmosphere enclosure during sample loading to minimize the introduction of impurity gases. With these precautions it is possible to unambiguously measure hydrogen storage. For example, we have determined the hydrogen absorption capacity of our K-intercalated graphite samples to be 1.3 wt% total hydrogen absorption above 50 o C, of which 0.2 wt% can be reproducibly recovered with temperature cycling. With due care, TGA measurements provide complementary information to that obtained from standard pressure techniques for measuring hydrogen sorption, which rely on measuring the loss of gas pressure in a known volume. Taken together, TGA and pressure measurements provide a powerful combination for determining verifiable hydrogen storage capacity. (author)

Research Progress on the Indirect Hydrogenation of Carbon Dioxide to Methanol.

Science.gov (United States)

Du, Xian-Long; Jiang, Zheng; Su, Dang Sheng; Wang, Jian-Qiang

2016-02-19

Methanol is a sustainable source of liquid fuels and one of the most useful organic chemicals. To date, most of the work in this area has focused on the direct hydrogenation of CO2 to methanol. However, this process requires high operating temperatures (200-250 °C), which limits the theoretical yield of methanol. Thus, it is desirable to find a new strategy for the efficient conversion of CO2 to methanol at relatively low reaction temperatures. This Minireview seeks to outline the recent advances on the indirect hydrogenation of CO2 to methanol. Much emphasis is placed on discussing specific systems, including hydrogenation of CO2 derivatives (organic carbonates, carbamates, formates, cyclic carbonates, etc.) and cascade reactions, with the aim of critically highlighting both the achievements and remaining challenges associated with this field. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Low-cost metal oxide activated carbon prepared and modified by microwave heating method for hydrogen storage

Energy Technology Data Exchange (ETDEWEB)

Moradi, S. E. [Islamic Azad University, Sari (Iran, Islamic Republic of)

2014-09-15

Novel microporous activated carbon (MAC) with high surface area and pore volume has been synthesized by microwave heating. Iron oxide nanoparticles were loaded into MAC by using Fe(NO{sub 3}){sub 3}·9H{sub 2}O followed by microwave irradiation for up to five minutes. The surface modified microporous activated carbon was characterized by BET, XRD, SEM and thermogravimetric examinations. Adsorption data of H{sub 2} on the unmodified and modified MACs were collected with PCT method for a pressure range up to 120 bar at 303 K. Greater hydrogen adsorption was observed on the carbon adsorbents doped with 1.45 wt% of iron oxide nanoparticle loaded due to the joint properties of hydrogen adsorption on the carbon surface and the spill-over of hydrogen molecules into carbon structures.

Morphology, Microstructure, and Hydrogen Content of Carbon Nanostructures Obtained by PECVD at Various Temperatures

Directory of Open Access Journals (Sweden)

M. Acosta Gentoiu

2017-01-01

Full Text Available Carbon nanostructures were obtained by acetylene injection into an argon plasma jet in the presence of hydrogen. The samples were synthesized in similar conditions, except that the substrate deposition temperatures TD were varied, ranging from 473 to 973 K. A strong dependence of morphology, structure, and graphitization upon TD was found. We obtained vertical aligned carbon nanotubes (VA-CNTs at low temperatures as 473 K, amorphous carbon nanoparticles (CNPs at temperatures from about 573 to 673 K, and carbon nanowalls (CNWs at high temperatures from 773 to 973 K. Fourier transform infrared spectroscopy, scanning electron microscopy, transmission electron microscopy, elastic recoil detection analysis, X-ray photoelectron spectroscopy, and Raman spectroscopy were used to substantiate the differences in these material types. It is known that hydrogen concentration modifies strongly the properties of the materials. Different concentrations of hydrogen-bonded carbon could be identified in amorphous CNP, VA-CNT, and CNW. Also, the H : C ratios along depth were determined for the obtained materials.

Influence of point defects on the near edge structure of hexagonal boron nitride

Science.gov (United States)

McDougall, Nicholas L.; Partridge, Jim G.; Nicholls, Rebecca J.; Russo, Salvy P.; McCulloch, Dougal G.

2017-10-01

Hexagonal boron nitride (hBN) is a wide-band-gap semiconductor with applications including gate insulation layers in graphene transistors, far-ultraviolet light emitting devices and as hydrogen storage media. Due to its complex microstructure, defects in hBN are challenging to identify. Here, we combine x-ray absorption near edge structure (XANES) spectroscopy with ab initio theoretical modeling to identify energetically favorable defects. Following annealing of hBN samples in vacuum and oxygen, the B and N K edges exhibited angular-dependent peak modifications consistent with in-plane defects. Theoretical calculations showed that the energetically favorable defects all produce signature features in XANES. Comparing these calculations with experiments, the principle defects were attributed to substitutional oxygen at the nitrogen site, substitutional carbon at the boron site, and hydrogen passivated boron vacancies. Hydrogen passivation of defects was found to significantly affect the formation energies, electronic states, and XANES. In the B K edge, multiple peaks above the major 1 s to π* peak occur as a result of these defects and the hydrogen passivated boron vacancy produces the frequently observed doublet in the 1 s to σ* transition. While the N K edge is less sensitive to defects, features attributable to substitutional C at the B site were observed. This defect was also calculated to have mid-gap states in its band structure that may be responsible for the 4.1-eV ultraviolet emission frequently observed from this material.

Hydrogen storage in single-wall carbon nano-tubes by means of laser excitation

International Nuclear Information System (INIS)

Oksengorn, B.

2010-01-01

A new mode for hydrogen adsorption and storage in single-wall carbon nano-tubes is used, on the basis of laser excitation. Remember that this method has been useful to obtain, in the case of the fullerene C 60 , many complex C 60 -atoms or C 60 -molecules, where atoms or molecular particles are trapped inside the C 60 -molecules. We think this method might be important to store many hydrogen molecules inside carbon nano-tubes. (author)

Effect of cold working on nitriding process of AISI 304 and 316 austenitic stainless steel

International Nuclear Information System (INIS)

Pereira, Silvio Andre de Lima

2012-01-01

The nitriding behavior of AISI 304 and 316 austenitic stainless steel was studied by different cold work degree before nitriding processes. The microstructure, thickness, microhardness and chemical micro-composition were evaluated through optical microscopy, microhardness, scanner electronic microscopy and x ray diffraction techniques. Through them, it was observed that previous plastic deformations do not have influence on layer thickness. However, a nitrided layer thicker can be noticed in the AISI 304 steel. In addition, two different layers can be identified as resulted of the nitriding, composed for austenitic matrix expanded by nitrogen atoms and another thinner immediately below expanded by Carbon atoms. (author)