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Dissertations / Theses on the topic 'Diatomic gas'

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Published: 4 June 2021
Last updated: 13 February 2022

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1

Marler, Joan Phyllis. "New results for positron scattering from noble gas atoms and diatomic molecules /." Diss., Connect to a 24 p. preview or request complete full text in PDF format. Access restricted to UC campuses, 2005. http://wwwlib.umi.com/cr/ucsd/fullcit?p3170237.

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2

Drayna, Garrett Korda. "Novel Applications of Buffer-Gas Cooling to Cold Atoms, Diatomic Molecules, and Large Molecules." Thesis, Harvard University, 2016. http://nrs.harvard.edu/urn-3:HUL.InstRepos:26718757.

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Cold gases of atoms and molecules provide a system for the exploration of a diverse set of physical phenomena. For example, cold gasses of magnetically and electrically polar atoms and molecules are ideal systems for quantum simulation and quantum computation experiments, and cold gasses of large polar molecules allow for novel spectroscopic techniques. Buffer-gas cooling is a robust and widely applicable method for cooling atoms and molecules to temperatures of approximately 1 Kelvin. In this thesis, I present novel applications of buffer-gas cooling to obtaining gases of trapped, ultracold atoms and diatomic molecules, as well as the study of the cooling of large organic molecules. In the first experiment of this thesis, a buffer-gas beam source of atoms is used to directly load a magneto-optical trap. Due to the versatility of the buffer-gas beam source, we obtain trapped, sub-milliKelvin gases of four different lanthanide species using the same experimental apparatus. In the second experiment of this thesis, a buffer-gas beam is used as the initial stage of an experiment to directly laser cool and magneto-optically trap the diatomic molecule CaF. In the third experiment of this thesis, buffer-gas cooling is used to study the cooling of the conformational state of large organic molecules. We directly observe conformational relaxation of gas-phase 1,2-propanediol due to cold collisions with helium gas. Lastly, I present preliminary results on a variety of novel applications of buffer-gas cooling, such as mixture analysis, separation of chiral mixtures, the measurement of parity-violation in chiral molecules, and the cooling and spectroscopy of highly unstable reaction intermediates.
Chemical Physics
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3

Schröder, Maike. "Theoretical investigation of the ultrafast photodissociation dynamics of diatomic molecules in a rare gas environment." [S.l. : s.n.], 2004. http://www.diss.fu-berlin.de/2005/43/index.html.

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4

Wang, Guanyu. "The Dynamics of Gas-Surface Energy Transfer in Collisions of Diatomic Gases with Organic Surfaces." Thesis, Virginia Tech, 2015. http://hdl.handle.net/10919/51179.

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Understanding interfacial interactions at the molecular level is important for interpreting and predicting the dynamics and mechanisms of all chemistry processes. A thorough understanding of the interaction dynamics and energy transfer between gas molecules and surfaces is essential for the study of various chemical reactions. The collisions of diatomic molecules on organic surfaces are crucial to the study of atmospheric chemistry. Molecular beam scattering experiments performed in ultra-high vacuum chambers provide insight into the dynamics of gas-surface interactions. Many questions remain to be answered in the study of gas-surface interfacial chemistry. For example, what affects the energy transfer between gas molecules and surfaces? How do intermolecular forces affect the interfacial interaction dynamics? We have approached these questions by scattering diatomic gas molecules from functionalized self-assembled monolayers (SAMs). Our results indicate that the intermolecular forces between gas molecules and surfaces play an important role in the energy transfer processes. Moreover, the stronger the intermolecular forces, the more often the incident molecules come into thermal equilibrium with the surface. Furthermore, most of the previous approaches toward understanding gas-surface interaction dynamics considered the interactions as independent incidents. By scattering O2, N2, CO and NO on both CH3- and OH- terminated SAM, we found a correlation between the gas-surface interactions and a bulk property, solubility. Both being strongly affected by intermolecular forces, the gas-surface energy transfer and solubility of gases in surface-similar solvents (water for OH-SAM, n-hexane for CH3-SAM) have a positive correlation. This correlation facilitates the understanding of interfacial dynamics at the molecular level, and helps predict the outcome of the similar-size gas collisions on surfaces.
Master of Science
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5

Walker, Mark Allen. "Single-Electron Structure and Dynamics in the Strong-Field Photoionization of Noble Gas Atoms and Diatomic Molecules." The Ohio State University, 2002. http://rave.ohiolink.edu/etdc/view?acc_num=osu1039125206.

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6

Gador, Niklas. "Experimental studies of dynamics in gas-phase diatomic molecules. From lifetime-measurements of BaF tofemtosecond pump-probe spectroscopy of Rb2." Licentiate thesis, KTH, Physics, 2002. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-1457.

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7

Dong, Qian. "Transport in Oxides Studied by Gas Phase Analysis." Doctoral thesis, Stockholm : Division of corrosion science, Royal Institute of technology, 2007. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-4358.

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8

Gaddis, Christopher Stephen. "Diatom Alchemy." Thesis, Georgia Institute of Technology, 2004. http://hdl.handle.net/1853/7611.

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This work resulted in the development of multiple distinct and novel methods of cheaply producing large numbers of biologically derived, complex, 3-dimensional microstructures in a multitude of possible compositions. The biologically derived structures employed in this work were diatoms, a type of single celled algae, which grow complex silica shells in species-specific shapes. Due to the wide diversity of naturally occurring diatom shapes (on the order of 105), and the flexibility in tailoring chemical compositions using the methods developed here, real potential exists for cheaply mass-producing industrially relevant quantities of controlled shape and size 3-d particles for the first time. The central theme of this research is the use of diatoms as a transient scaffold onto which a coating is applied. After curing the coating, and in some cases firing the coating to form ceramic, the diatom can be selectively etched away leaving a free standing replica of the original structure with the salient features of the pre-form intact, but now composed of a completely different material. Using this concept, specific methods were developed to suit various precursors. Dip coating techniques were used to create epoxy diatoms, and silicon carbide diatoms. The Sol-Gel method was used to synthesize zirconia diatoms in both the tetragonal and monoclinic phases. A multi step method was developed in which previously synthesized epoxy diatoms were used as a template for deposition of a silicon carbide precursor and then heat treated to produce a silicon carbide/carbon multi-component ceramic. A hydrothermal reaction was also developed to convert Titania diatoms to barium titanate by reaction with barium hydroxide. Finally, the device potential of diatom-derived structures was conclusively demonstrated by constructing a gas sensor from a single Titania diatom. Under suitable conditions, the sensor was found to have the fastest response and recovery time of any sensor of this type reported in the literature. Furthermore, this work has laid the groundwork for the synthesis of many other tailored compositions of diatoms, and provided several compositions for device creation.
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9

Shian, Samuel. "Shape preserving conversion reaction of siliceous structures using metal halides: properties, kinetics, and potential applications." Diss., Georgia Institute of Technology, 2008. http://hdl.handle.net/1853/37252.

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BaSIC, which stands for Bioclastic and Shape-preserving Inorganic Conversion, is shape-preserving chemical conversion process of biological (or man-made) silica structures for producing complex 3-D microscale structures. This dissertation reports the BaSIC reaction of halide gases (i.e., TiF4, ZrF4, and ZrCl4) with 3-D silica structures, (i.e., diatom frustules, silicified direct-write assembly scaffolds, and Stöber silica spheres) to produce titania and zirconia replicas of the original 3-D structures. The kinetics of reaction of silica with titanium tetrafluoride gas is analyzed by using a novel HTXRD reaction chamber, nitrogen adsorption, and transmission electron microscope (TEM). The crystal structure and the temperature-induced phase transformation (from the room temperature hexagonal R-3c structure to the higher temperature cubic Pm3m structure) of polycrystalline TiOF2 that was synthesized through metathetic reaction of silica with TiF4(g) is reported. Additionally, potential applications of the converted titania diatom frustules (i.e., as a fast micron-sized ethanol sensor, and as a pesticide hydrolyzing agent) are also demonstrated in this work.
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10

Kalem, Tugba. "Gas-Solid Displacement Reactions for Converting Silica Diatom Frustules into MgO and TiO2." Ames, Iowa : Oak Ridge, Tenn. : Ames Laboratory ; distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy, 2004. http://www.osti.gov/servlets/purl/837272-FUCpXa/webviewable/.

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Thesis (M.S.); Submitted to Iowa State Univ., Ames, IA (US); 19 Dec 2004.
Published through the Information Bridge: DOE Scientific and Technical Information. "IS-T 2488" Tugba Kalem. US Department of Energy 12/19/2004. Report is also available in paper and microfiche from NTIS.
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11

Grenier, Romain. "Etude multi-échelle des phénomènes physico-chimiques aux interfaces gaz – surfaces métalliques." Thesis, Paris Est, 2015. http://www.theses.fr/2015PEST1113/document.

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Dans le contexte des écoulements micro- et nano-fluidiques, ce travail porte sur l'étude des interactions à l'interface entre des flux de gaz rares et des surfaces métalliques via une approche de modélisation multi-physique et multi-échelle. Elle se concentre tout particulièrement sur l'interaction entre l'argon et une surface d'or. Pour ce faire la modélisation a été effectuée en deux étapes, une première partie utilisant la mécanique quantique à l'échelle atomique et une deuxième partie de dynamique moléculaire à l'échelle nanométrique. La première partie est consacrée à l'obtention de potentiels d'interaction entre un atome d'argon et les atomes d'or de la surface par des méthodes de calculs théoriques basés sur la DFT comportant des effets à longues distances. Deux approches, donnant des résultats comparables, ont été utilisées : la première est liée à la description périodique de la surface d'or par un modèle basé sur la description des électrons par des ondes planes alors que la seconde permet de récupérer séparément les parties répulsives et attractives de l'interaction d'un atome d'argon avec un petit cluster d'or. Ces potentiels d'interactions ont été décomposés en potentiels de paires Ar-Au utilisables par des simulations de dynamique moléculaire. Ces simulations ont consisté en la projection d'atomes d'argon sur des surfaces d'or ‘parfaites' dites lisses ou des surfaces rugueuses plus représentatives de la technologie actuelle. L'analyse statistique des vitesses réfléchies permet de déterminer le coefficient d'accommodation tangentiel de l'argon sur des surfaces d'or. Ce coefficient est la traduction du phénomène de glissement qui peut ainsi être modélisé dans une description plus macroscopique de l'écoulement d'un gaz dans une micro-conduite. L'approche multi-physique utilisée dans ce travail a permis la détermination numérique de coefficients d'accommodations tangentiels très précis et comparables à l'expérience pour le couple argon-or, et doit pouvoir être appliquée à d'autres couples
In the context of micro- and nano-flows, this work concentrates on the study of interactions at the interface of noble gas and metal surfaces by a multi-physics and multiscale model. Particularly, the interaction of an argon atom with a gold surface is the focus of the study. The work has been made in two steps: the first one occurred at the atomic scale in which Quantum Mechanics is employed and the second one at the nanoscale with the use of Molecular Dynamics.The first part of the work was devoted to the determination of interaction potentials between an argon atom and gold atoms from the surface by DFT calculation methods comporting long range effects. Two approaches, leading similar results, have been used: the first one is linked to a periodic description of the gold surface where electrons are defined by plane waves, the second one gives independently repulsive and attractive parts of the interaction of an argon atom with a small gold cluster. Those interaction potentials are then decomposed in pair potentials suitable for Molecular Dynamics simulations. These last ones consisted in multiple times projecting argon atoms on smooth or rough gold surfaces (which are more representative of the roughness of actual technologies). The statistical analysis of the reflected velocities yielded the tangential momentum accommodation (TMAC) coefficient of argon on gold surfaces. This coefficient is the transcription of slip phenomena which occur at the interface, and it can then be used in nano-flow simulations. The multi-physics approach of the thesis gives accurate TMAC values which are comparable to experiments. The accounted method could then be applied to other noble gas metal surface couples
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12

Galparsoro, Larraza Oihana. "Phonon and electron excitations in diatom abstraction from metallic surfaces." Thesis, Bordeaux, 2016. http://www.theses.fr/2016BORD0417/document.

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La rationalisation des processus chimiques élémentaires aux surfacesest d'intérêt primordial pour de nombreux phénomènes naturels ou d'intérêttechnologique. D'un point de vue fondamental, la façon dont l'énergie, concomitanteà toute réaction chimique, est distribuée parmi les degrés de liberté des moléculesformées et/ou transférée à la surface est loin d'être systématisée. Dans ce travail,des simulations, reposant sur la méthode des trajectoires quasi-classiques (QCT),sont réalisées pour examiner cette problématique lors de recombinaisons demolécules d'hydrogène (H2) et d'azote (N2) résultant de l'abstraction d'atomesadsorbés via collision par un atome provenant de la phase gazeuse sur des surfacesde Tungstène - W(100) et W(110) - à taux de couverture non nul. Ces processussont ici étudiés pour leur intérêt en physique des interactions plasma-paroi. Dessurfaces d'énergie potentielle, construites à partir de calculs de structure électroniquebasés sur la théorie de la fonctionnelle densité (DFT), sont utilisées pour simuler,dans le cadre de la mécanique classique - incluant les corrections semi-classiquespertinentes - les processus ultrarapides dit de "Eley-Rideal" et par "atomes-chauds"(sub-picoseconde). La mise en place de modèle effectifs, pour tenir compte de ladissipation de l'énergie aux phonons de la surface et aux excitations électroniques(paires électron-trou), permet de rationaliser la dynamique non-adiabatique del'abstraction atomique aux surfaces métalliques
The rationalization of elementary processes at surfaces is of prime importance for numerous natural and technological areas. From a fundamental pointof view, the way the energy concomitant to any chemical reaction is distributed among the desorbing molecules degrees-of-freedom and the surface is far frombeing fully pictured. In this work, quasiclassical molecular dynamics (QCT)simulations have been carried out to investigate this issue for the recombination ofH2 and N2 resulting from atomic adsorbate abstraction by atom scattering off theW(100) and W(110) covered surfaces, these processes being of relevance inplasma-wall interactions. Potential energy surfaces, built from density functional(DFT) theory calculations, have been used to simulate, within the framework ofclassical dynamics (including semi-classical corrections), the subpicosecond Eley-Rideal and Hot-Atom processes. The implementation of effective models to accountfor energy dissipation to surface phonons and electron-hole pair excitations, have allowed to rationalize the non-adidabatic dynamics of atom abstraction at metalsurfaces
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13

Mu, Wei. "INVESTIGATION OF N SINGLE ATOM AND DIATOM DOPANT GAS EFFECT ON THE CONDUCTIVITY OF NITROGEN-DOPED ZNO THIN FILMS GROWN BY THERMAL EVAPORATION PROCESS." Miami University / OhioLINK, 2009. http://rave.ohiolink.edu/etdc/view?acc_num=miami1250195098.

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14

Quichaud, Viviane. "Etude des processus elementaires : de synthese de la molecule no, en post-decharge en ecoulement, de collisions titane-gaz rares, titane-molecules, par perturbation laser resolue en temps." Paris 6, 1987. http://www.theses.fr/1987PA066135.

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I. Etude de la preparation des etats excites de no dans un dispositif de post-decharge en ecoulement a partir de n::(2) excite (prepare par transfert d'excitation a partir d'atomes ar metastables dans une decharge basse pression) et de o (obtenu par dissociation de o::(2) dans une decharge de he). Observation d'une emission intense des bandes gamma de no, qui implique un etat a courte duree de vie (b) de n::(2) et le premier etat metastable de o. Ii. Analyse des processus d'extinction et de transfert d'excitation a partir d'etats a courte duree de vie de ti (crees dans un dispositif a cathode creuse) lors de collisions avec des gaz rares (ar, ne, he) et des molecules (n::(2),h::(2)). Ces experiences permettent l'etude de cinetiques de reactions elementaires au sein d'un plasma basse pression ensemence de vapeurs metalliques, a l'aide du dispositif de post-decharge en ecoulement
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15

Bréant, Christian. "Développement de lasers infrarouges accordables de haute pureté spectrale : application à la spectroscopie hyperfine des molécules HF et SF(6)." Paris 13, 1985. http://www.theses.fr/1985PA132010.

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Les développements de deux spéctromètres de saturation à ultra-haute résolution dans le domaine infrarouge, l'un dans la région spectrale 9-12 mu m et l'autre accordable de 2,3 a 3,2 mu m sont exposés en detail. La stabilisation en fréquence d'un laser à CO(2) conventionnel ou guide d'ondes au niveau de la dizaine de hertz ainsi que l'obtention d'une stabilité meilleure que 1 khz pour le laser à centres colores soulignent le role cle de ces oscillateurs dans la chaine de raccordement de fréquence de l'horloge à cesium vers le domaine visible. L'étude des interactions hyperfines est presentée dans le cas des molécules diatomiques héteronucleaires (hf) et des toupies spheriques du groupe ponctuel O(h) (sf(6)). Grace a l'enregistrement de structures hyperfines tres bien resolues, de nombreux effets ont etes mis en evidence et interpretes à l'aide du formalisme tensoriel (dans le groupe (l)o(3) x O(h)) en particulier : l'interaction de spin-vibration (bande upsilon (3) de sf(6)), les mélanges d'états de types de symétrie differents (sf(6)), les corrections ro-vibrationnelles à l'interaction de spin-rotation (hf et sf(6)), les structures superhyperfines (sf(6))
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16

Chan, Wing Fat. "Absolute optical oscillator strengths for electronic excitations of noblae gas atoms and diatomic molecules." Thesis, 1992. http://hdl.handle.net/2429/2886.

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A new high resolution dipole (e,e) method is described for the measurement of absolute optical oscillator strengths (cross sections) for electronic excitation of free atoms and molecules throughout the discrete region of the valence shell spectrum. The technique, utilizing the virtual photon field of a fast electron inelastically scattered at negligible momentum transfer, avoids many of the difficulties and errors associated with the various direct optical techniques which have traditionally been used for absolute optical oscillator strength measurements. In particular, the method is free of the bandwidth (line saturation) effects which can seriously limit the accuracy of photoabsorption cross section measurements for discrete transitions of narrow linewidth obtained using the Beer-Lambert law (formula removed)). Since these perturbing “line saturation” effects are not widely appreciated and are only usually considered in the context of peak heights a detailed new analysis of this problem is presented considering the integrated cross section (oscillator strength) over the profile of each discrete peak. Using a low resolution dipole (e,e) spectrometer (~1 eV FWHM), absolute optical oscillator strengths for the photoabsorption of the five noble gases He, Ne, Ar, Kr and Xe have been measured up to 180, 250, 500, 380 and 398 eV respectively. The absolute scales for the measurements of helium and neon were obtained by TRK sum rule normalization and it was not necessary to make the difficult determinations of photon flux or target density required in conventional absolute cross section determinations. Single point continuum normalization to absolute optical data was employed for the measurements of argon, krypton and xenon due to the closely space in the subshells of these targets which cause problems in the extrapolation procedures required for TRK sum—rule normalization. The newly developed high resolution dipole (e,e) method (0.048 eV FWHM) has then been used to obtain the absolute optical oscillator strengths for the valence discrete excitations of the above five noble gases with the absolute scale normalized to the low resolution dipole (e,e) measurements in the smooth ionization continuum region. The measured dipole oscillator strengths for helium excitation (1 ¹S—n ¹P, n=2-7) are in excellent quantitative agreement with the calculations reported by Schiff and Pekeris (Phys. Rev. 134, A368 (1964)) and by Fernley et al. (J. Phys. B 20, 6457 (1987)). High resolution absolute optical oscillator strengths are also reported for the autoionizing resonances, corresponding to the double excitation of two valence electrons and/or single excitation of a inner valence electron, of the above five noble gases. High resolution absolute optical oscillator strengths (0.048 eV FWHM) for discrete and continuum transitions for the photoabsorption of five diatomic gases (H₂, N₂, 0₂, CO and NO) throughout the va1ence shell region are reported. The absolute scales were obtained by normalization in the smooth continuum to TRK sum rule normalized data determined using the low resolution dipole (e,e) spectrometer. (For full abstract, view file)
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17

WANG, SI-PING, and 王思平. "A classical trajectory calculation of vibrational predissociation of rare gas-diatomic van der Waal's complexes." Thesis, 1991. http://ndltd.ncl.edu.tw/handle/06614856917506407155.

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18

Schröder, Maike [Verfasser]. "Theoretical investigation of the ultrafast photodissociation dynamics of diatomic molecules in a rare gas environment / vorgelegt von Maike Schröder." 2004. http://d-nb.info/973922931/34.

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19

Peng, Jing. "The impact of oil chemistry on heavy-oil solution gas drive and fracture reconsolidation of diatomite during thermal operations /." 2009. http://pangea.stanford.edu/ERE/db/pereports/record_detail.php?filename=Peng09.pdf.

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20

(9529685), Jiaqi Li. "Conformal Coating and Shape-preserving Chemical Conversion of Bio-enabled and Synthetic 3-Dimensional Nanostructures." Thesis, 2020.

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Impressive examples of the generation of hierarchically-patterned, three-dimensional (3-D) structures for the control of light can be found throughout nature. Morpho rhetenor butterflies, for example, possess scales with periodic parallel ridges, each of which consists of a stack of thin (nanoscale) layers (lamellae). The bright blue color of Morpho butterflies has been attributed to controlled scattering of the incident light by the lamellae of the wing scales. Another stunning example is the frustule (microshell) of the Coscinodiscus wailesii diatom, which is capable of focusing red light without possessing a traditional lens morphology. The photonic structures and the optical behaviors of Morpho butterflies and Coscinodiscus wailesii diatoms have been extensively studied. However, no work has been conducted to shift such light manipulation from the visible to the infrared (IR) range via shape-preserving conversion of such biogenic structures. Controlling IR radiation (i.e., heat) utilizing biogenic or biomimetic structures can be of significant utility for the development of energy-harvesting devices. In order to enhance the optical interaction in the IR range, inorganic replicas of biogenic structures comprised of high-refractive-index materials have been generated in this work. Such replicas of Morpho rhetenor scales were fabricated via a combination of sol-gel solution coating, organic pyrolysis, and gas/solid reaction methods. Diatomimetic structures have also been generated via sol-gel coating, gas/solid reaction, and then patterning of pore arrays using focused ion beam (FIB) milling.

Throughout the sol-gel solution coating and chemical conversion steps of the processes developed in this study, attention was paid to preserve the starting shapes of the nanopatterned, microscale biogenic or biomimetic structures. Factors affecting such shape preservation included the thicknesses and uniformities of coatings applied to the biogenic or biomimetic templates, nano/microstructural evolution during thermal treatment, and reaction-induced volume changes. A conformal surface sol-gel (SSG) coating process was developed in this work to generate oxide replicas of Morpho rhetenor butterfly scales with precisely-controlled coating thicknesses. The adsorption kinetics and relevant adsorption isotherm of the SSG process were investigated utilizing a quartz crystal microbalance. Analyses of thermodynamic driving forces, rate-limiting kinetic steps, and volume changes associated with various chemical reactions were used to tailor processing parameters for optimized shape preservation.
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