Tesis sobre el tema "H-111"
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Yanagita, Hiroshi. "Adsorbed states of H on Ni(111) and Rh(111) surfaces". 京都大学 (Kyoto University), 2000. http://hdl.handle.net/2433/181137.
Texto completoGorgoi, Mihaela. "Electronic Properties of Phthalocyanines Deposited on H-Si(111)". Doctoral thesis, Universitätsbibliothek Chemnitz, 2007. http://nbn-resolving.de/urn:nbn:de:swb:ch1-200700213.
Texto completoIn the context of this work four Phthalocyanine were studied: Metal-free Phthalocyanine (H2Pc), Copper Phthalocyanine (CuPc) and fluorine-substituted Phthalocyanine (F4CuPc and F16CuPc). The goal of this work is the electronic and chemical characteristics of the interfaces. The molecules were deposited by organic molecular beam deposition (OMBD) in the ultra high vacuum on hydrogen-passivated Si(111)-Substrate. Surface sensitive techniques such as photoemission spectroscopy (PES), bremsstrahlung isochromate spectroscopy (BIS or IPES - inverse photoemission spectroscopy) and near edge X-ray absorption fine structure spectroscopy (NEXAFS) were used for characterisation. Theoretical computations by density functional theory methods were employed, in order to assign different components in PES and IPES. The energy level alignment at the organic/H-Si interface, as well as the transport gap of H2Pc, CuPc, F4CuPc and F16CuPc were determined by PES and IPES. The NEXAFS measurements determine the exact molecular orientation with respect to the substrate. The evaluation of the data showed different molecular orientation in the thin and thick films. This change was correlated with the band bending like behaviours that emerged at these interfaces. In addition to the band bending like behaviour, the interfaces show also an interface dipole which is driven by the work function difference between the contact materials. The influence of the degree of fluorination is confirmed in the similar increase of the EA, WF and IE. The electronic properties of metal/organic layer interfaces and of organic layer under oxygen influence were examined by PES and IPES. The Ag/Pc interfaces show a mixture of HOMO-LUMO shifts and interface dipole formation. A charge transfer complex is formed in the case of Ag/H2Pc and Ag/F16CuPc interfaces. Ag is physisorbed atop the CuPc. Charge transfers from F4CuPc to Ag creating a continuous n-type doping at the interface. Similar to the Pc/H-Si interfaces the interface dipoles found here show a linear dependence on the EA, WF and IE and can be predicted by the difference in the work functions. The data evaluation of oxygen exposed thick films determined two groups of behaviours. The weak interaction group is represented by H2Pc and F4CuPc, Pcs on which oxygen is physisorbed. The strong interaction group contains the other two molecules CuPc and F16CuPc. CuPc forms a charge transfer complex with oxygen and on top of F16CuPc a polarized layer is formed
Hugelmann, Martin. "Erzeugung und Charakterisierung metallischer Nanostrukturen auf n-Si(111):H-Einkristalloberflächen". Karlsruhe : Univ.-Verl, 2004. http://deposit.ddb.de/cgi-bin/dokserv?idn=973495839.
Texto completoGUNTHER, ROLF. "Etudes des structures electroniques du si(111)-h(1x1) par photoemission angulaire". Paris 11, 1997. http://www.theses.fr/1997PA112443.
Texto completoHaug, Kerstin Leigh 1971. "The unique reactions of surface bound H, bulk H, and gas phase H atoms with acetylene, ethylene and ethane on Ni(111)". Thesis, Massachusetts Institute of Technology, 1999. http://hdl.handle.net/1721.1/84737.
Texto completoHugelmann, Martin [Verfasser]. "Erzeugung und Charakterisierung metallischer Nanostrukturen auf n-Si(111):H-Einkristalloberflächen / Martin Hugelmann". Karlsruhe : Univ.-Verl. Karlsruhe, 2004. http://d-nb.info/973495839/34.
Texto completoRazado-Colambo, Ivy. "Scanning Tunneling Microscopy and Photoelectron Spectroscopy Studies of Si(111) and Ge(111) Surfaces : Clean and Modified by H or Sn Atoms". Doctoral thesis, Linköpings universitet, Tekniska högskolan, 2009. http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-17371.
Texto completoZahl, Percy. "Oberflächenspannung auf Si(111): Heteroepitaxie von Ge und CaF2, Adsorption von H und Sb". [S.l. : s.n.], 2000. http://deposit.ddb.de/cgi-bin/dokserv?idn=961158336.
Texto completoZheng, Chaozhi. "Coverage, step and quantum effects on surface diffusion of H on Pt(111) surfaces /". View abstract or full-text, 2004. http://library.ust.hk/cgi/db/thesis.pl?PHYS%202004%20ZHENG.
Texto completoWickard, Todd DeVere. "The First Attachment and Post-Functionalization of Polybutadiene and Thio-Click Functionalized Polybutadiene on H-Terminated Si(111)". BYU ScholarsArchive, 2009. https://scholarsarchive.byu.edu/etd/2035.
Texto completoSauter, Markus [Verfasser] y H. von [Akademischer Betreuer] Löhneysen. "Untersuchungen eindimensionaler Strukturen auf vizinalen Si(111):Au-Oberflächen mit Rastertunnelmikroskopie und -spektroskopie / Markus Sauter. Betreuer: H. von Löhneysen". Karlsruhe : KIT-Bibliothek, 2009. http://d-nb.info/1014221889/34.
Texto completoThiele, Cornelius [Verfasser] y H. von [Akademischer Betreuer] Löhneysen. "STM Characterization of Phenylene-Ethynylene Oligomers on Au(111) and their Integration into Carbon Nanotube Nanogaps / Cornelius Thiele. Betreuer: H. von Löhneysen". Karlsruhe : KIT-Bibliothek, 2014. http://d-nb.info/1052933467/34.
Texto completoLaliberté, Marc-André. "Études de la réactivité du Pt(111) et de la liaison C-H---O=C : Applications en catalyse hétérogène et assemblage moléculaire". Thesis, Université Laval, 2009. http://www.theses.ulaval.ca/2009/26253/26253.pdf.
Texto completoChuang, Tzu-Hung [Verfasser], J. [Akademischer Betreuer] Kirschner, G. [Akademischer Betreuer] Schmidt y H. [Akademischer Betreuer] Wende. "High wave-vector magnon excitations in ultrathin Fe(111) films grown on Au/W(110) and Fe(001) films grown on Ir(001) / Tzu-Hung Chuang. Betreuer: J. Kirschner ; G. Schmidt ; H. Wende". Halle, Saale : Universitäts- und Landesbibliothek Sachsen-Anhalt, 2013. http://d-nb.info/1033306665/34.
Texto completoRouissi, Zied [Verfasser], Dieter [Akademischer Betreuer] Schmeißer, Ehrenfried [Akademischer Betreuer] Zschech y Christian [Akademischer Betreuer] Pettenkofer. "Role of substrates morphology and chemistry in ALD HfO₂ on Si(111)-H terminated surfaces as model / Zied Rouissi ; Dieter Schmeißer, Ehrenfried Zschech, Christian Pettenkofer". Cottbus : BTU Cottbus - Senftenberg, 2017. http://d-nb.info/1136904441/34.
Texto completoMusgrave, Charles Bruce Goddard William A. Goddard William A. "Molecular mechanics and ab initio simulations of silicon (111) surface reconstructions, semiconductors and semiconductor superlattices, H abstraction for nanotechnology, polysilane, and growth of CVD diamond /". Diss., Pasadena, Calif. : California Institute of Technology, 1995. http://resolver.caltech.edu/CaltechETD:etd-10192007-104223.
Texto completoGraubner, Sebastian [Verfasser], H. [Gutachter] Riess, P. [Gutachter] Wust y W. [Gutachter] Fiegler. "Klinischer Verlauf und Analyse des Rezidivmusters von 111 Patienten mit anaplastischem Astrozytom oder Glioblastoma multiforme nach Operation und lokaler Strahlentherapie / Sebastian Graubner ; Gutachter: H. Riess, P. Wust, W. Fiegler". Berlin : Humboldt-Universität zu Berlin, 2005. http://d-nb.info/1207666602/34.
Texto completoCurcella, Alberto. "Looking for silicene: studies of silicon deposition on metallic and semiconductor substrates". Master's thesis, Alma Mater Studiorum - Università di Bologna, 2015. http://amslaurea.unibo.it/9314/.
Texto completoJakob, Sebastian Bernhard Ludwig [Verfasser], Werner [Akademischer Betreuer] Schindler y Katharina [Akademischer Betreuer] Krischer. "The n-Si(111):H Surface in Contact with an Aqueous Electrolyte: Surface States, Electrochemical Charge Transfer, and Nanoscale Structuring / Sebastian Bernhard Ludwig Jakob. Gutachter: Katharina Krischer ; Werner Schindler. Betreuer: Werner Schindler". München : Universitätsbibliothek der TU München, 2013. http://d-nb.info/1038787203/34.
Texto completoJanke, Svenja Maria. "Theoretical Description of Hydrogen Atom Scattering off Noble Metals". Doctoral thesis, Niedersächsische Staats- und Universitätsbibliothek Göttingen, 2016. http://hdl.handle.net/11858/00-1735-0000-0028-87A3-4.
Texto completoScharff, Christina. "Young women's dis-identification with feminism : negotiating heteronormativity, neoliberalism and difference". Thesis, London School of Economics and Political Science (University of London), 2009. http://etheses.lse.ac.uk/111/.
Texto completoRodriguez, De Rodriguez Maria Del Pilar. "Production de biodiesel ?? partir d'une huile mod??le de microalgues par voie de catalyse enzymatique h??t??rog??ne". Mémoire, Universit?? de Sherbrooke, 2014. http://savoirs.usherbrooke.ca/handle/11143/111.
Texto completoAyadi, Wassef. "Implementation of an H controller for the helicopter BK 117". Düsseldorf VDI-Verl, 2008. http://d-nb.info/98864150X/04.
Texto completoBungaro, Claudia. "Dynamical properties of clean and H-covered W(110) surfaces". Doctoral thesis, SISSA, 1995. http://hdl.handle.net/20.500.11767/3951.
Texto completoMilazzo, Rachele Maria Gabriella. "Electroless Silver Deposition on (100) and (111) Silicon Wafers, Fabrication of Nanowires and Nanopillars by Assisted Etching". Doctoral thesis, Università di Catania, 2013. http://hdl.handle.net/10761/1293.
Texto completoCo?lho, Maria Reis Valois. "Altera??es fisiol?gicas e metab?licas em Hyptis fruticosa Salzm. ex. Beth e Ocimum gratissimum L. sob diferentes regimes h?dricos". Universidade Estadual de Feira de Santana, 2014. http://localhost:8080/tede/handle/tede/111.
Texto completoMade available in DSpace on 2015-07-28T01:01:50Z (GMT). No. of bitstreams: 1 Disserta??o_RGV_Maria Reis.pdf: 1106415 bytes, checksum: 7034ec4c42920fa1bf7a9238be4d7eb7 (MD5) Previous issue date: 2014-03-28
Coordena??o de Aperfei?oamento de Pessoal de N?vel Superior - CAPES
Hyptis fruticosa Salzm. Ex. Benth and Ocimum gratissimum Lindi are species from lamiaceae family of great medicinal importance, notwithstanding, they have been goals of few studies related to the cultivation techniques. Therefore, the study?s goal was to evaluate the behavior and tolerance of plants of H. fruticosa and O. gratissimum cultivated in vases submitted to different levels of evapotranspired water reposition during thirteen days (H. fruticosa) and nine days (O. gratissimum). The experiment was made in greenhouse under randomized complete block design with four treatments (100, 75, 50 and 0% of evapotranspired water reposition). It was verified that there were not any significant difference of total dry mass and leaf area among the treatments in the species H. fruticosa and O. gratissimum. Both of them presented the lowest values of relative water content, water potential, chlorophylls and carotenoids in the water reposition 0% treatment. In O. gratissimum, there was the decrease in net assimilation of carbon, stomatal conductance and transpiration with the water deficit increase, but the CO2 inside concentration was higher in the water reposition 0% treatment. The two species presented amino acid accumulation, proline, soluble proteins and soluble carbohydrate according to the water deficit increase. The essential oil content increased with the water availability increment in O. gratissimum, but it did not present the significant difference among the treatments in H. fruticosa. O. gratissimum revealed itself more sensitive and H. fruticosa more tolerant to the water deficiency.
Hyptis fruticosa Salzm. ex. Benth e Ocimum gratissimum Lindl. s?o esp?cies da fam?lia lamiaceae de grande import?ncia medicinal, no entanto, t?m sido objetos de poucos estudos relacionados ?s t?cnicas de cultivo. Assim, o objetivo deste trabalho foi avaliar o comportamento e toler?ncia de plantas de H. fruticosa e O. gratissimum cultivadas em vasos submetidas a diferentes n?veis de reposi??o de ?gua evapotranspirada durante o per?odo de treze dias (H. fruticosa) e nove dias (O. gratissimum). O experimento foi realizado em telado sob delineamento em blocos casualizados com quatro tratamentos (100, 75, 50 e 0% de reposi??o de ?gua evapotranspirada). Verificou-se que n?o houve diferen?as significativas da massa seca total e ?rea foliar entre os tratamentos nas esp?cies H. fruticosa e O. gratissimum. As duas esp?cies apresentaram os menores valores de teor relativo de ?gua, potencial h?drico, clorofilas e caroten?ides no tratamento 0% de reposi??o de ?gua. Em O. gratissimum, houve redu??o da assimila??o l?quida de carbono, condut?ncia estom?tica e transpira??o com o aumento do d?ficit h?drico, por?m a concentra??o interna de CO2 foi superior no tratamento 0% de reposi??o de ?gua. As duas esp?cies apresentaram ac?mulo de amino?cidos livres, prolina, prote?nas sol?veis e carboidratos sol?veis de acordo com o aumento do d?ficit h?drico. O teor de ?leo essencial aumentou com o incremento da disponibilidade h?drica em O. gratissimum, mas n?o apresentou diferen?a significativa entre os tratamentos em H. fruticosa. A esp?cie O. gratissimum mostrou-se mais sens?vel e H. fruticosa mais tolerante ? defici?ncia h?drica.
Lens, Lotte H. L. [Verfasser]. "Advanced chemical investigations of the volatile element flerovium (Fl, Z=114) / Lotte H. L. Lens". Mainz : Universitätsbibliothek Mainz, 2020. http://d-nb.info/1205842527/34.
Texto completoPaige, Mikell Atkin. "Modular synthesis of Annonaceous acetogenins and their activity against H-116 human solid colon tumor cells". Full text, Acrobat Reader required, 2003. http://viva.lib.virginia.edu/etd/diss/ArtsSci/Chemistry/2003/Paige/Dissertation.pdf.
Texto completoTomanic, Tihomir [Verfasser] y H. von [Akademischer Betreuer] Löhneysen. "Untersuchung des elektronischen Oberflächenzustands von Ag-Inseln auf supraleitendem Niob(110) / Tihomir Tomanic ; Betreuer: H. von Löhneysen". Karlsruhe : KIT-Bibliothek, 2012. http://d-nb.info/1025114337/34.
Texto completoGOTA, SUSANA. "Developpement de la diffraction des photoelectrons a basse energie cinetique a l'aide du rayonnement synchrotron. Application a l'etude des surfaces inp(110) et h/inp(110)". Paris 6, 1993. http://www.theses.fr/1993PA066103.
Texto completoStockford, Chloe Anne. "A structural analysis of H₂O on Cu{110} using a novel low flux Fibre-Optic LEED apparatus". Thesis, University of Cambridge, 2011. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.609230.
Texto completoKompe, Carsten. "Etude des nuages moléculaires associés aux régions H II Sharpless 135, 112, 142 et 247, régions de formation d'étoiles". Bordeaux 1, 1988. http://www.theses.fr/1988BOR10560.
Texto completoKompe, Carsten. "Etude des nuages moléculaires associés aux régions H II Sharpless 135, 112, 142 et 247, régions de formation d'étoiles". Grenoble 2 : ANRT, 1988. http://catalogue.bnf.fr/ark:/12148/cb376147652.
Texto completoHelali, Zeineb. "Etude de la coadsorption de H et CO sur une série de méteaux supportés par le rutile TiO2 (110)". Paris 6, 2013. http://www.theses.fr/2013PA066089.
Texto completoWe propose a fundamental study aimed to determine the most favorable thermodynamically first step of the Fischer-Tropsch reaction based on the nature of M =K…Zn. The results showed that M interacts more strongly with the TiO2(110) perfect surface. We have examined in detail the electronic structures by applying a Hubbard correction. This allowed us to have more localized states. This correction does not influence by much the interaction if the penalty applied remains moderate. Therefore, we concluded that the energetic study which will be conducted later will be in PW91 and using the perfect surface as a support. The H adsorption on these supported metals showed that a strong M-H interaction requires at least two electrons available for the transfer. In the case of the CO adsorption, the interaction force increased particularly for Cr and Cu : the support can empty antibonding levels of M and stabilizes the interaction. We have also studied the formation of hydrogenated complexes, HCO and HOC, which may be a beginning or an end of this catalysis. We have shown that the elementary first step depends on the nature of the metal. For Sc, Ti and V, the most likely mechanism is the hydrogenation of CO in the first place followed by the dissociation of the CO bond. On the contrary, for M = Fe- Ni, this mechanism seems to be more difficult. Finally, we proposed a new methodology to improve the modeling of TiO2 slab. We have therefore proposed a saturated slab of the unreactive side by a dissociated H2O molecule. The results showed a significant reduction of the allowing faster convergence compared to other models proposed in the literature
Mourad, Suleiman Ali. "Early Islam between myth and history : Al-Hasan Al-Basri (d. 110 H = 728 CE) and the formation of his legacy in classical Islamic scholarship /". Leiden : Brill, 2006. http://catalogue.bnf.fr/ark:/12148/cb40104430n.
Texto completoBoucherie, Joël. "Modélisation des transferts thermiques et solutaux lors de la croissance cristalline de CdTe dans te par la méthode T. H. M. Expérience AMF 117-eureca 1". Bordeaux 1, 1991. http://www.theses.fr/1991BOR10624.
Texto completoDelmastro, D. "EFFECT OF THE LOSS OF RIBONUCLEASE H ACTIVITY ON GENOME INSTABILITY: FROM DNA DAMAGE TOLERANCE TO RETROTRANSPOSITION". Doctoral thesis, Università degli Studi di Milano, 2015. http://hdl.handle.net/2434/273893.
Texto completoDersan, Duygu. "Responses To International Changes:a Neoclassical Realist Analysis Of Syrian Foreign Policy, 1990-2005". Phd thesis, METU, 2012. http://etd.lib.metu.edu.tr/upload/12615043/index.pdf.
Texto completowar on terror&rdquo
to recover its superpower position and intervened in Afghanistan and then Iraq. In that process, Syria opted for countering the US and became the leading critique of the invasion of Iraq. This study examines the different responses of Syria to the end of the Cold War and the post-September 11 period through using neoclassical realism as a model.
Novarina, D. "MECHANISMS PRESERVING GENOME INTEGRITY IN SACCHAROMYCES CEREVISIAE". Doctoral thesis, Università degli Studi di Milano, 2013. http://hdl.handle.net/2434/215589.
Texto completoEKER, ARMAND. "Resultats et facteurs pronostiques du retrecissement valvulaire aortique opere au stade iii ou iv de la classification de la n. Y. H. A. : a propos de 112 patients operes entre 1972 et 1990". Lyon 1, 1991. http://www.theses.fr/1991LYO1M120.
Texto completoCelik, Celen. "Old Allies Facing New Threats: The Transatlantic Relations Within The Framework Of Nato". Master's thesis, METU, 2007. http://etd.lib.metu.edu.tr/upload/12608884/index.pdf.
Texto completopost-September 11 unilateral policies deepened the transatlantic rift already underway since the end of the CW, on the way to Iraq war, NATO turned out to be the place where the divisions between the allies were reflected the most. Hence, the US&rsquo
preferences for ad hoc coalitions of the willing understanding damaged the longduring multilateral alliance by leading to a secondary role for NATO during the US&rsquo
Afghanistan and Iraq campaigns. That is why, time is needed to see whether the old allies facing new threats can reconcile their differences in the name of a renewed transatlantic security cooperation through the initiatives taken within NATO?
Deger, Deniz. "The Evolution Of Central Eurasia Policy Of The Us In The Post-soviet Era And The Geopolitics Of The Caspian Oil". Master's thesis, METU, 2006. http://etd.lib.metu.edu.tr/upload/12607703/index.pdf.
Texto completos strategic engagement in the region with a due regard to changing geopolitical context with the demise of the Soviet Union. The main argument rests upon the assumption that the US regional policy is primarily motivated by geopolitical imperatives as the Central Eurasian region becomes the primary springboard for the attainment of global supremacy. Within this respect, energy is only one aspect of the ongoing geopolitical competition. That the geopolitical priorities are preponderant to geoeconomic interests are basically observed by the intense geostrategic struggle over dominating the prospective oil and gas pipelines from the region. Eventually, within the confines of this thesis, it is deduced that the ultimate parameters of the geopolitical struggle, the framework of which was specified by the United States, have revealed themselves more explicitly in the aftermath of the September 11, which only reinforced the strategic significance of Central Eurasia in coping with the new geopolitical fault lines of the 21st century. Within this regard, Central Eurasia has transformed into an implicit geostrategic standoff between the United States on the one hand, and Russia and China on the other. Accordingly, the fact that the United States could by no means remain complacent about the fate of Central Eurasia against such a backdrop of high geopolitical fluidity in the overall Eurasian continent is most relevant to the possibility of rising potential aspirants for global dominance that would challenge the United States in the long term.
Hengstebeck, Thomas. "Measurement of the energy spectrum of the BL Lac object PG1553+113 with the MAGIC telescope in 2005 and 2006". Doctoral thesis, [S.l.] : [s.n.], 2007. http://deposit.ddb.de/cgi-bin/dokserv?idn=985223839.
Texto completoLarsabal, Etienne. "Découverte des motifs souples de classe A : une nouvelle classe de sites d' interaction ADN-protéines chez les procaryotes et eucaryotes inférieurs". Paris 6, 2005. http://www.theses.fr/2005PA066216.
Texto completoGustafson, Melissa Brown. "The Valuation of Literature: Triangulating the Rhetorical with the Economic Metaphor". Diss., CLICK HERE for online access, 2004. http://contentdm.lib.byu.edu/ETD/image/etd510.pdf.
Texto completoFarro, Lazo Jorge. "Implementación de Sistema Integrador de Comunicaciones de Voz y Datos para el Gobierno Regional de Lima - Utilizando Plataforma Cisco Unified Communications Manager 7.0". Bachelor's thesis, Universidad Ricardo Palma, 2010. http://cybertesis.urp.edu.pe/handle/urp/87.
Texto completoRusso, Florence. "Matériaux multicaloriques : Application à de nouveaux systèmes de refroidissement". Thesis, Lyon, INSA, 2015. http://www.theses.fr/2015ISAL0097/document.
Texto completoThe cooling sector is in constant expansion, the current system is based on the compression/decompression of fluids. In front of environmental and economic problems of this system (nature of frigorigen fluids and their recycling, noise and vibration issues, restrictive regulations), new alternative technological solutions emerge. Thus this thesis provides new cooling systems based on the magnetocaloric and electrocaloric effects respectively present in thin films of fluoropolymer and composites with polymer matrix and magnetocaloric loads. Through physicochemical, electrical, electrocaloric and magnetocaloric characterizations, this work intends to identify the origin of electrocaloric effect in thin terpolymer films P(VDF-TrFE-CTFE) which is a ferroelectric relaxor, but also to study the influence of the magnetocaloric particles La(Fe,Si)H dispersion in a polymer matrix of poly(propylene) on the magnetocaloric phenomenon. In addition, as part of this thesis, a direct measurement device of the electrocaloric effect was developed with Dr. Basso from the INRIM of Turin. The comparison with the indirect measurement method comes up with this phenomenon from a thermodynamic point of view to take stock of the validity of thermodynamic assumptions used in the case of a ferroelectric polymer relaxor
Eda, Benlioglu. "Bilateral Relations Between The Us And Saudi Arabia: 1990-2003". Master's thesis, METU, 2005. http://etd.lib.metu.edu.tr/upload/2/12606797/index.pdf.
Texto completowar on terrorism&rdquo
.
Pezzotti, Simone. "DFT-MD simulations and theoretical SFG spectroscopy to characterize H-Bonded networks at aqueous interfaces : from hydrophobic to hydrophilic environments Structural definition of the BIL and DL: a new universal methodology to rationalize non-linear χ(2)(ω) SFG signals at charged interfaces, including χ(3)(ω) contributions What the Diffuse Layer (DL) Reveals in Non-Linear SFG Spectroscopy 2D H-Bond Network as the Topmost Skin to the Air-Water Interface Combining ab-initio and classical molecular dynamics simulations to unravel the structure of the 2D-HB-network at the air-water interface 2D-HB-Network at the air-water interface: A structural and dynamical characterization by means of ab initio and classical molecular dynamics simulations Spectroscopic BIL-SFG Invariance Hides the Chaotropic Effect of Protons at the Air-Water Interface Molecular hydrophobicity at a macroscopically hydrophilic surface Graph theory for automatic structural recognition in molecular dynamics simulations DFT-MD of the (110)-Co3O4 cobalt oxide semiconductor in contact with liquid water, preliminary chemical and physical insights into the electrochemical environment". Thesis, Université Paris-Saclay (ComUE), 2019. http://www.theses.fr/2019SACLE008.
Texto completoImproving our knowledge on water H-Bonded networks formed in the special environment offered by an interface is pivotal for our understanding of many natural phenomena and technological applications. To reveal the interfacial water arrangement, techniques able to provide detailed microscopic information selectively for the interfacial layer are required. In the present thesis work, we have hence investigated aqueous interfaces at the molecular level, by coupling theoretical modeling from DFT-MD simulations with SFG & THz-IR spectroscopies. By developing new investigation protocols/tools, coupling DFT-MD simulations and SFG spectroscopy, in particular for the more complex rationalization of charged interfaces, we have provided a global comprehension of the effect of various interfacial conditions (hydrophilicity, pH, ionic strength) on the HB-Network formed in the interfacial layer (BIL), on its spectroscopic signatures and on its impact on physico-chemical properties. We have shown for the first time that, in sufficiently hydrophobic conditions, BIL interfacial water creates special 2-Dimensional HB-Networks, experimentally revealed by one specific THz-IR marker band. Such 2D-network dictates HBs and orientational dynamics of interfacial water, surface potential, surface acidity, water surface tension and thermodynamics of hydration of hydrophobic solutes. Such "horizontal ordering” of water at hydrophobic interfaces is found opposite to the “vertical ordering” of water at hydrophilic interfaces, while coexistence of the two orders leads to disordered interfacial water in intermediate hydrophilic/hydrophobic conditions. Both DFT-MD and SFG further revealed how ions & pH conditions alter these BIL-water orders
Gonçalves, Fabricio Mota. "Evapotranspiração e coeficientes de cultivo (KC) da cana-de-açúcar irrigada por gotejamento subsuperficial". reponame:Repositório Institucional da UFC, 2010. http://www.repositorio.ufc.br/handle/riufc/18596.
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Sugar cane is one of the crops with the highest level of water consumption, with a high evapotranspiration demand throughout most of its cycle. Knowledge of the sugar cane water demand, the time that irrigation should be applied, and how to irrigate the crop are becoming increasingly important for the sustainable development of irrigated sugar cane cultivation, especially in areas of low water availability, as it is the case in northea stern Brazil. The experiment was carried out at the Curu Experimental Field (property of the Embrapa Tropical Agroindustry), located in the Curu-Paraipaba Irrig ation Project, city of Paraipaba-CE (3 ° 29 '20''S, 39 ° 9' 45''W and elevation 30m), in order to determine the evapotrans piration and crop coefficients (Kc) of sugarcane (Saccharum L. officinarium), subsurface drip-irrigated. It was used the SP 6949 sugar cane variety, planted in a spacing of 1.8 m between double rows and 0.4 m between rows within the double row. As to t he irrigation, we used one lateral water line for each double row, buried at a depth of 0.15 m, w ith self-compensating drip emitters, with a flow rate of 1 L h-1, spaced 0.5 m on the water line. The crop was irrigated daily and there were three fertigations per week. The irrigation de pth was periodically adjusted, keeping the soil water potential between -8 kPa to -20 kPa. The crop evapotranspiration (ETc) was determined using a wei ghing lysimeter with a surface area of 2.25 m 2. The reference evapotranspiration (ETo) was estimated by the FAO Penman-Monteith method. The durations of the phenological stages of cane sugar were estimated through analysis of soil cover, with the use of digital images. Durations of 31, 49, 237 and 118 days were observed, respectively for initial, crop development, mid-season and late season stages. The yields achieved within and outside the lysimeter were respectively 144.4 and 108.8 t ha -1 . The total ETc observed during the cycle of the sugar cane was 1074.1 m m, with maximum values of 6.6 mm d-1 during the mid-season stage. Observed Kc values for initial, mid-season and late season stages were respectively 0.23, 1 .03 and 0.50. In the crop development stage, the relationship between Kc and the (crop) soil cover was represented with good accuracy by a negative quadratic model.
A cana-de-açúcar é uma das culturas com maior consumo de água, apresentando uma alta demanda evapotranspirativa ao longo da maior parte do seu ciclo. O conhecimento das necessidades hídricas da cana-de-açúcar, do momento de aplicação da água requerida pela mesma e a forma de aplicação torna-se cada vez mais importante para o desenvolvimento sustentável da sua produção irrigada, principalmente em regiões de pouca disponibilidade hídrica, como é o caso da região Nordeste do Brasil. O experimento foi conduzido no Campo Experimental do Curu, pertencente à Embrapa Agroindústria Tropical localizado no Perímetro Irrigado Curu-Paraipaba, município de Paraipaba-CE (3° 29’ 20’’ S, 39° 9’ 45’’ W e altitude de 30 m), com o objetivo de determinar a evapotranspiração e os coeficientes de cultivo (Kc) da cana-de-açúcar (Saccharum officinarium L.), irrigada por gotejamento subsuperficial. Utilizou-se a variedade de cana SP 6949, plantada no espaçamento de 1,8 m entre fileiras duplas e 0,4 m entre linhas dentro da fileira dupla. Na irrigação utilizou-se uma linha lateral para cada fileira dupla, enterrada na profundidade de 0,15 m, com gotejadores autocompensantes, com vazão de 1 L h-1, espaçados de 0,5 m na linha. A cultura foi irrigada com freqüência diária e foram realizadas três fertirrigações por semana. A lâmina de irrigação foi ajustada periodicamente, mantendo-se o potencial de água no solo entre -8 kPa e -20 kPa. A evapotranspiração da cultura (ETc) foi determinada utilizando-se um lisímetro de pesagem com área superficial de 2,25 m2. A evapotranspiração de referência (ETo) foi estimada pelo método FAO Penman-Monteith. As durações das fases fenológicas da cana-de-açúcar foram estimadas por meio da análise da cobertura do solo pela cultura, determinada com o uso de imagens digitais. Foram observadas durações de 31, 49, 237 e 118 dias, para as fases inicial, de desenvolvimento, intermediária e final, respectivamente. A produtividade alcançada dentro e fora do lisímetro foi de 144,4 e 108,8 t ha-1, respectivamente. A ETc total observada durante o ciclo da cana-de-açúcar foi de 1.074,1 mm, com valores máximos da ordem de 6,6 mm d-1 durante a fase intermediária. Foram observados valores de Kc iguais a 0,23, 1,03 e 0,50, para as fases inicial, intermediária e final, respectivamente. Na fase de desenvolvimento vegetativo a relação entre o Kc e a cobertura do solo pela cultura foi representada com bastante exatidão por um modelo quadrático negativo.