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Добірка наукової літератури з теми "ENERGY MOLECULES"

Автор: Grafiati
Опубліковано: 11 вересня 2023

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Статті в журналах з теми "ENERGY MOLECULES"

1

Willich, Marcel M., Lucas Wegener, Johannes Vornweg, Manuel Hohgardt, Julia Nowak, Mario Wolter, Christoph R. Jacob, and Peter Jomo Walla. "A new ultrafast energy funneling material harvests three times more diffusive solar energy for GaInP photovoltaics." Proceedings of the National Academy of Sciences 117, no. 52 (December 14, 2020): 32929–38. http://dx.doi.org/10.1073/pnas.2019198117.

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There is no theoretical limit in using molecular networks to harvest diffusive sun photons on large areas and funnel them onto much smaller areas of highly efficient but also precious energy-converting materials. The most effective concept reported so far is based on a pool of randomly oriented, light-harvesting donor molecules that funnel all excitation quanta by ultrafast energy transfer to individual light-redirecting acceptor molecules oriented parallel to the energy converters. However, the best practical light-harvesting system could only be discovered by empirical screening of molecules that either align or not within stretched polymers and the maximum absorption wavelength of the empirical system was far away from the solar maximum. No molecular property was known explaining why certain molecules would align very effectively whereas similar molecules did not. Here, we first explore what molecular properties are responsible for a molecule to be aligned. We found a parameter derived directly from the molecular structure with a high predictive power for the alignability. In addition, we found a set of ultrafast funneling molecules that harvest three times more energy in the solar’s spectrum peak for GaInP photovoltaics. A detailed study on the ultrafast dipole moment reorientation dynamics demonstrates that refocusing of the diffusive light is based on ∼15-ps initial dipole moment depolarization followed by ∼50-ps repolarization into desired directions. This provides a detailed understanding of the molecular depolarization/repolarization processes responsible for refocusing diffusively scattered photons without violating the second law of thermodynamics.
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2

Yu, Chang Feng. "A Novel High Precision Analytic Potential Function for Diatomic Molecules." Key Engineering Materials 645-646 (May 2015): 313–18. http://dx.doi.org/10.4028/www.scientific.net/kem.645-646.313.

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Анотація:
A new analytical potential energy functions is presented, the potential energy function is examined by 13 examples of different diatomic molecules or ions——homonuclear ground-state for neutral diatomic molecules, heternuclear ground-state for charged diatomic molecular ion, heternuclear excitation-state neutral diatomic molecules ,heternuclear excited-state for charged diatomic molecular ion, homonuclear excited-state for neutral diatomic molecule , homonuclear excited-state for charged diatomic moleculeetc.. as a consequence, the theoretical values of the vibrational energy level of molecules calculated by the potential energy function are in high-precision consistent with RKR data (Rydberg-Klein-Rees) or experimental data.
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3

Borodin, Dmitriy, Igor Rahinov, Pranav R. Shirhatti, Meng Huang, Alexander Kandratsenka, Daniel J. Auerbach, Tianli Zhong, et al. "Following the microscopic pathway to adsorption through chemisorption and physisorption wells." Science 369, no. 6510 (September 17, 2020): 1461–65. http://dx.doi.org/10.1126/science.abc9581.

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Adsorption involves molecules colliding at the surface of a solid and losing their incidence energy by traversing a dynamical pathway to equilibrium. The interactions responsible for energy loss generally include both chemical bond formation (chemisorption) and nonbonding interactions (physisorption). In this work, we present experiments that revealed a quantitative energy landscape and the microscopic pathways underlying a molecule’s equilibration with a surface in a prototypical system: CO adsorption on Au(111). Although the minimum energy state was physisorbed, initial capture of the gas-phase molecule, dosed with an energetic molecular beam, was into a metastable chemisorption state. Subsequent thermal decay of the chemisorbed state led molecules to the physisorption minimum. We found, through detailed balance, that thermal adsorption into both binding states was important at all temperatures.
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4

MATSUI, A. H., M. TAKESHIMA, K. MIZUNO, and T. AOKI-MATSUMOTO. "PHOTOPHYSICAL OVERVIEW OF EXCITATION ENERGY TRANSFER IN ORGANIC MOLECULAR ASSEMBLIES — A ROUTE TO STUDY BIO-MOLECULAR ARRAYS —." International Journal of Modern Physics B 15, no. 28n30 (December 10, 2001): 3857–60. http://dx.doi.org/10.1142/s0217979201008846.

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Excitonic processes in organic molecular crystals are discussed in terms of two parameters, the crystal size and the constituent molecule size. From the luminescence and absorption spectra of a series of aromatic molecular crystals we find a systematic change in exciton energy transport as functions of the size of crystal and its constituent molecule size. Characteristic features of bulk crystals and microcrystallites are as follows. (1) In bulk crystals exciton energy transport depends on the constituent molecule size. When molecules are small, the exciton energy transport occurs by free excitons, but when molecules are large free exciton transport disappears because excitons get self-trapped. (2) In microcrystallites, exciton energy transport depends on the crystallite size. When the size is larger than a critical one, excitons travel as quantum mechanical waves but when the size is smaller than the critical one the exciton waves get confined within the crystallite. The results are independent of the chemical species of constituent molecules and thus applicable to novel molecular arrays such as biological molecular arrays.
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5

Mehboob, Muhammad Yasir, Muhammad Usman Khan, Riaz Hussain, Rafia Fatima, Zobia Irshad, and Muhammad Adnan. "Designing of near-infrared sensitive asymmetric small molecular donors for high-efficiency organic solar cells." Journal of Theoretical and Computational Chemistry 19, no. 08 (September 18, 2020): 2050034. http://dx.doi.org/10.1142/s0219633620500340.

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Herein, we have designed four small molecular donors (SMDs) with Donor–Acceptor–Acceptor (D–Á–A) backbone having different acceptor units for highly efficient organic solar cells (OSCs). The specific molecular modeling has been made by replacing the additional acceptor unit (A) of recently synthesized TPA-DAA-MDN molecule (R) by employing different highly efficient acceptor units in order to improve the photovoltaic performances of the molecules. A theoretical approach (DFT and TD-DFT) has been applied to investigate the photophysical, opto-electronic and photovoltaic parameters of the designed molecules (DAA1–DAA4) and compared with the reference molecule (R). The red-shifting absorption of SMDs is the most important factor for highly efficient OSCs. Our all formulated molecules showed a red shifted absorption spectrum and also exhibit near IR sensitivity. Acceptor unit modification of R molecule causes reduction in HOMO-LUMO energy gap; therefore, all designed molecules offer better opto-electronic properties as compared to R molecule. A variety of certain critical factors essential for efficient SMDs like frontier molecular orbitals (FMOs), absorption maxima, dipole moment, exciton binding energy along with transition density matrix, excitation energy, open circuit voltages and charge mobilities of (DAA1–DAA4) and R have also been investigated. Generally, low values of reorganizational energy (hole and electron) offer high charge mobility and our all designed molecules are enriched in this aspect. High open circuit voltage values, low excitation energies, large dipole moment values indicate that our designed SMDs are suitable candidates for high-efficiency OSCs. Furthermore, conceptualized molecules are superior and thus are suggested to experimentalist for out-looking future progresses of highly efficient OSCs devices.
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6

Mishra, Mirtunjai, Narinder Kumar, Khem Thapa, B. S. Rawat, Reena Dhyani, Devendra Singh, and Devesh Kumar. "Physical, chemical, optical and insulating properties of alkyl benzoic acid derivatives liquid crystal due to extension alkyl chain (CNH2N+1) length: A DFT study." Kragujevac Journal of Science, no. 45 (2023): 21–28. http://dx.doi.org/10.5937/kgjsci2345021m.

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Анотація:
The aim of this paper was to analyze the structure, vibrations and to do global analyses of molecules of p-n-alkyl benzoic acid (nBAC). The energy, IR, and Homo-Lumo optimised parameters were calculated using a density functional method. The global reactivity descriptors of molecules, including electro-negativity, electron affinity, ionisation potential, global softness, chemical potential, and energy gaps is further shown by band gap value drops. It offers important details on the stability of nBAC molecules (n=4,5,6,7,8,9). It has been demonstrated that the molecular series displays the energy of an isolated molecule as the length of the alkyl chain rises. The molecular series is useful for insulating applications since it also has a high band gap.
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7

Sivanathan, M., and B. Karthikeyan. "Computational Studies of Self Assembled 3,5 Bis(Tri Fluoro Methyl) Benzyl Amine Phenyl Alanine Nano Tubes." Materials Science Forum 1070 (October 13, 2022): 105–13. http://dx.doi.org/10.4028/p-ftw4x6.

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In this work 3,5 Bis(Tri fluro methyl)Benzyl amine phenyl alanine a monmer molecule is DFT theoretically optimized to get the structural insight of the molecule. Band gap energy, Mullikan atomic charges, DOS spectral analysis, HOMO - LUMO, Electrostatic surface potential , molecular electrostatic potential and theoretical Raman spectral analysis is computed and compared with the experimental data .Since this molecule shows self assembly similar to peptide molecules it is quite interesting to analyze its structure based on theory and experimental the results suggests the H –boding interactions between the molecules is the key mechanism. The band energy from DOS plots suggests the molecular interactions through π-π .The possibility of the self assembly is explained further from Raman spectral studies that tells the mode specific interaction among the molecules..
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8

Jungclas, Hartmut, Viacheslav V. Komarov, Anna M. Popova, and Lothar Schmidt. "Pyrene Fluorescence in Nanoaggregates Irradiated by IR Photons." Zeitschrift für Naturforschung A 69, no. 12 (December 1, 2014): 629–34. http://dx.doi.org/10.5560/zna.2014-0069.

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AbstractPyrene fluorescence of a molecular donor-acceptor nanoaggregate induced by infrared (IR) radiation with λ =16 - 18 μm considered.We assume that this nanoaggregate consists of two molecules, exchanging energy by dipole-dipole interaction. The energy acceptor is an aromatic molecule. The other molecule, the energy donor, is assumed to contain a substructure CnH2n which serves as antenna for IR radiation. The antenna can accumulate collective vibrational excitations and transmit them to the acceptor molecule. Acceptor fluorescence is possible if the amount of transmitted energy is equal to the energy of its excited state in the visible part of the absorption spectrum. We analyse the fluorescence of a nanoaggregate consisting of a donor with a C5H10 substructure and pyrene molecules or pyrene dimers as acceptors. A method is proposed for determination of the ‘critical micelle concentration’ (CMC), i. e. concentration of a dissolved polymer, for which the polymer molecules are beginning to aggregate.
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9

Gajdoš, Ján, and Tomáš Bleha. "Stability of molecular aggregates of hydrocarbons with all-trans chains and translation of the molecules." Collection of Czechoslovak Chemical Communications 50, no. 7 (1985): 1553–64. http://dx.doi.org/10.1135/cccc19851553.

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Potential energy has been calculated for molecular aggregates formed of all-trans extended hexanes with various arrangements of the central molecule surrounded by the first coordination sphere. Differences in stabilities of the aggregates are connected with biaxial character of asymmetry of the interaction energy of extended paraffins. When investigating the multiparameter interaction potential of the partially ordered systems of hydrocarbon chains, the first step consisted in determination of the energy barriers to longitudinal shifts of the central molecules at various distances of the surrounding molecules. Destabilization of the aggregates with displaced molecules is due to both the mismatch of the central molecule to the matrix and effective shortening of that part of the central molecule which is "immersed" in the aggregate. The energetics of the model aggregates is made use of in elucidating the role of translation of paraffins and cognate molecules in rotational phase, in mesophases, and at a forced shortening of the chains connected with conformational transition.
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10

Lu, Peifen, Junping Wang, Hui Li, Kang Lin, Xiaochun Gong, Qiying Song, Qinying Ji, et al. "High-order above-threshold dissociation of molecules." Proceedings of the National Academy of Sciences 115, no. 9 (February 13, 2018): 2049–53. http://dx.doi.org/10.1073/pnas.1719481115.

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Electrons bound to atoms or molecules can simultaneously absorb multiple photons via the above-threshold ionization featured with discrete peaks in the photoelectron spectrum on account of the quantized nature of the light energy. Analogously, the above-threshold dissociation of molecules has been proposed to address the multiple-photon energy deposition in the nuclei of molecules. In this case, nuclear energy spectra consisting of photon-energy spaced peaks exceeding the binding energy of the molecular bond are predicted. Although the observation of such phenomena is difficult, this scenario is nevertheless logical and is based on the fundamental laws. Here, we report conclusive experimental observation of high-order above-threshold dissociation of H2 in strong laser fields where the tunneling-ionized electron transfers the absorbed multiphoton energy, which is above the ionization threshold to the nuclei via the field-driven inelastic rescattering. Our results provide an unambiguous evidence that the electron and nuclei of a molecule as a whole absorb multiple photons, and thus above-threshold ionization and above-threshold dissociation must appear simultaneously, which is the cornerstone of the nowadays strong-field molecular physics.
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Дисертації з теми "ENERGY MOLECULES"

1

Hoffmeyer, Ruth Ellen. "High-energy electron scattering from molecules." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 1998. http://www.collectionscanada.ca/obj/s4/f2/dsk2/ftp02/NQ35471.pdf.

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2

Rawi, Zaid. "Rotational energy transfer in polyatomic molecules." Thesis, University of Sussex, 1997. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.390073.

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3

Pounds, Andrew J. "A generalized discrete dynamical search method for locating minimum energy molecular geometries." Diss., Georgia Institute of Technology, 1994. http://hdl.handle.net/1853/27144.

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4

Ball, Christopher D. "Rotational energy transfer in low temperature molecules /." The Ohio State University, 1998. http://rave.ohiolink.edu/etdc/view?acc_num=osu1487951214940079.

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5

Rempe, Susan Lynne Beamis. "Potential energy surfaces for vibrating hexatomic molecules /." Thesis, Connect to this title online; UW restricted, 1998. http://hdl.handle.net/1773/8536.

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6

Shi, Yuanyuan. "Materials and molecules for pollution free clean energy." Doctoral thesis, Universitat Rovira i Virgili, 2018. http://hdl.handle.net/10803/664725.

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La combustió dels combustibles fòssils ha causat problemes mediambientals i energètics a nivell mundial, la qual cosa influeix en la salut i les activitats humanes. Amb la motivació de contribuir per resoldre aquests problemes, hem realitzat una sèrie de recerques per explorar materials i molècules per a la generació d'energia lliure de contaminació, com és l'energia solar convertida en hidrogen que proposa aquesta tesi. Hem analitzat estadísticament les partícules contaminants en l'aire, partícules de PM2.5, les quals indiquen que els agregats de sutge rics en carboni mostren una adhesividad i agregació molt altes. Més del 50% de les partícules PM2.5 interactuen fortament amb el substrat generant una capa molt prima (<10 nm) la qual és molt estable (fins i tot sota estrès mecànic) i que està composta de metalls alcalins, hidrogen i grups CH. Després de l'estudi sobre partícules contaminants en l'aire, ens hem centrat en l'estudi de dispositius de divisió d'aigua mitjançant radiació solar per explorar la generació d'hidrogen a gran escala. En aquesta tesi, ens hem centrat principalment en la recerca de materials i molècules per a divisors de molècules d'aigua fotoelectroquímics (PEC) i fotovoltaic-electrolítics (PV-EC). Els nostres resultats mostren que en els dispositius PEC, poden dipositar-se en la superfície dels foto-ànodes de silici pel·lícules primes metàl·liques de coure i níquel, podent formar CuO i NiOX respectivament. Tots dos materials actuen com a catalitzadors molt actius per a la reacció d'oxidació d'aigua i alhora com una capa protectora de la corrosió per a superfície de silici. D'altra banda, els dispositius PV-EC, pels quals hem utilitzat un ànode basat en molècules catalizadoras de Ruteni, s'ha integrat amb cèl·lules solars d'unió triple. Aquests dispositius han aconseguit una eficiència màxima de conversió energia solar-hidrogen del 21,2% a pH neutre i just per sota de la il·luminació solar sense cap polarització externa. Aquests resultats contribueixen a la generació d'hidrogen per conversió solar a gran escala.
La combustión de los combustibles fósiles ha causado problemas medioambientales y energéticos a nivel mundial, lo que influye en la salud y las actividades humanas. Con la motivación de contribuir para resolver estos problemas, hemos realizado una serie de investigaciones para explorar materiales y moléculas para la generación de energía libre de contaminación, como es la energía solar convertida en hidrógeno que propone esta tesis. Hemos analizado estadísticamente las partículas contaminantes en el aire, partículas de PM2.5, las cuales indican que los agregados de hollín ricos en carbono muestran una adhesividad y agregación muy altas. Más del 50% de las partículas PM2.5 interactúan fuertemente con el sustrato a través de una capa muy delgada (<10 nm) de trazas oscura la cual es muy estable incluso bajo estrés mecánico y está compuesta de metales alcalinos, hidrógeno y grupos CH. Después del estudio sobre partículas contaminantes en el aire, nos hemos centrado en el estudio de dispositivos de división de agua mediante radiación solar para explorar la generación de hidrógeno a gran escala. En esta tesis, nos hemos centrado principalmente en la investigación de materiales y moléculas para divisores de moléculas de agua fotoelectroquímicos (PEC) y fotovoltaico-electrolíticos (PV-EC). Nuestros resultados muestran que en los dispositivos PEC, pueden depositarse en la superficie de los foto-ánodos de silicio películas delgadas metálicas de cobre y níquel, pudiendo formar CuO y NiOX respectivamente. Ambos materiales actúan como catalizadores muy activos para la reacción de oxidación de agua y a la vez como una capa protectora de la corrosión para superficie de silicio. Por otro lado, los dispositivos PV-EC, para los que se usó un ánodo basado en moléculas catalizadoras de Rutenio, se ha integrado con células solares de unión triple comerciales. Estos dispositivos han logrado una eficiencia máxima de conversión energía solar-hidrógeno del 21,2% a pH neutro y justo por debajo de la iluminación solar sin ninguna polarización externa. Estos resultados allanan el camino para la generación de hidrógeno por conversión solar a gran escala.
The combustion of the fossil fuels has caused the global environment and energy problems, which influences human health and activities. With the motivation to make our contributions to solving these problems, we have performed a series of investigations to explore materials and molecules for pollution free clean energy, which is solar energy converted hydrogen in this thesis. We have statistically analyzed the airborne pollutant particles, PM2.5 particles, which indicates that the carbon-rich fluffy soot aggregates always show very high adhesiveness and aggregation. And more than 50% PM2.5 particles strongly interact with the substrate through a ultra-thin (< 10 nm) dark trace layer, which is very stable even under mechanical stress and it is consisted of alkali metals, hydrogen and CH groups. After the study about airborne pollutant particles, we have moved to the study of solar-driven water splitting devices for exploring the large-scale generation of hydrogen. In this thesis, we have mainly focused on the investigation of the materials and molecules for photoelectrochemical (PEC) and photovoltaic-electrolysis (PV-EC) water splitting devices. Our results show that in the PEC water splitting devices, copper and nickel metallic thin films can be deposited on the surface of silicon photoanodes, which can form CuO and NiOX respectively and then serve as very active catalysts for water oxidation reaction and a protecting layer for silicon surface from corrosion. And in PV-EC water splitting devices, the ruthenium molecular catalysts based anode has been used for the electrolyzer, which has been integrated with commercially available triple junction solar cells. This integrated PV-EC device achieves the highest solar-to-hydrogen efficiency of 21.2 % at neutral pH and just under solar illumination without any external bias. These results pave the way for the generation of large-scale solar converted hydrogen.
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7

Wickham-Jones, C. T. "Studies of vibrational energy transfer of small molecules." Thesis, University of Oxford, 1986. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.371569.

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8

Lyons, Benjamin Paul. "Energy transfer to dopant molecules in polyfluorene films." Thesis, Durham University, 2005. http://etheses.dur.ac.uk/2722/.

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Polyfluorene is a promising material for applications such as polymeric light-emitting diodes. Upon optical or electrical excitation it exhibits efficient blue fluorescence and is easily made into thin films by spin-coating from solution. Incorporating suitable dopant molecules in these films changes the emission colour. The energy transfer processes taking place have been investigated here by steady-state and time resolved fluorescence measurements. To assist in the analysis of these measurements, the optical constants of polyfluorene were found by ellipsometry. Both unaligned and aligned films exhibit uniaxial anisotropy. Unaligned films have their optical axis normal to the film surface and are optically negative. Aligned films have their optical axis oriented in plane, parallel to the rubbing direction and are optically positive. In aligned films, light polarized in the alignment direction experiences absorption twice as high as light incident on unaligned films. Temperature dependent steady-state measurements were made on polyfluorene films doped with tetraphenyl poiphyrin. Energy transfer in such systems is usually described in terms of Forster transfer but it is shown here that exciton migration must also occur. A new model is developed to include this process. Diffusion lengths of 11 +1- 2 nm at low temperature and 20 +/- 2 nm at room temperature are found. Energy transfer was also investigated by fluorescence polarization anisotropy. It is shown that even at low temperature; excitons migrate far enough to depolarize the fluorescence. However, the emission is not completely depolarized and it is suggested that some excitons are trapped immediately after excitation. Polarized luminescence from dicyanomethylene in aligned polyfluorene films is observed. These molecules align themselves at least partially with the polymer chains. Although the polarization ratio not sufficient for use in a device, this is a viable method of achieving polarized fluorescence with a range of colours.
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9

Hock, Kai Meng. "Low energy electron scattering from molecules on surfaces." Thesis, University of Cambridge, 1992. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.240119.

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10

Barnard, John Cameron. "Low energy electron scattering by ordered adsorbed molecules." Thesis, University of Cambridge, 1994. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.321430.

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Книги з теми "ENERGY MOLECULES"

1

1950-, Scott P. R., ed. Energy levels in atoms and molecules. Oxford: Oxford University Press, 1994.

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2

Lafferty, Peter. Matter and energy. New York: Macmillan, 1991.

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3

Wong, Wai-Yeung, ed. Organometallics and Related Molecules for Energy Conversion. Berlin, Heidelberg: Springer Berlin Heidelberg, 2015. http://dx.doi.org/10.1007/978-3-662-46054-2.

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4

May, Volkhard. Charge and energy transfer dynamics in molecular systems. 3rd ed. Weinheim: Wiley-VCH, 2011.

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5

Oliver, Kühn, ed. Charge and energy transfer dynamics in molecular systems. 2nd ed. Weinheim: Wiley-VCH, 2004.

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6

Oliver, Kühn, ed. Charge and energy transfer dynamics in molecular systems. 3rd ed. Weinheim: Wiley-VCH, 2011.

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7

Group theory for atoms, molecules, and solids. Englewood Cliffs, N.J: Prentice-Hall International, 1986.

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8

Jacox, Marilyn E. Vibrational and electronic energy levels of polyatomic transient molecules. Woodbury, N.Y: American Chemical Society and the American Institute of Physics for the National Institute of Standards and Technology, 1994.

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9

Roman, Curik, ed. Low-energy electron scattering from molecules, biomolecules, and surfaces. Boca Raton: Taylor & Francis, 2012.

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10

Oliver, Kühn, ed. Charge and energy transfer dynamics in molecular systems: A theoretical introduction. Berlin: Wiley-VCH, 2000.

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Частини книг з теми "ENERGY MOLECULES"

1

Kajimoto, Okitsugu. "Energy Transfer." In From Molecules to Molecular Systems, 110–26. Tokyo: Springer Japan, 1998. http://dx.doi.org/10.1007/978-4-431-66868-8_7.

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2

Guelachvili, G. "Energy level designations." In Linear Triatomic Molecules, 1–2. Berlin, Heidelberg: Springer Berlin Heidelberg, 2004. http://dx.doi.org/10.1007/10837166_1.

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Guelachvili, G. "Energy level designations." In Linear Triatomic Molecules, 1–3. Berlin, Heidelberg: Springer Berlin Heidelberg, 2008. http://dx.doi.org/10.1007/978-3-540-74187-9_1.

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4

Khristenko, Sergei V., Viatcheslav P. Shevelko, and Alexander I. Maslov. "Energy Constants of Molecules." In Molecules and Their Spectroscopic Properties, 39–70. Berlin, Heidelberg: Springer Berlin Heidelberg, 1998. http://dx.doi.org/10.1007/978-3-642-71946-2_3.

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5

Guelachvili, G. "Potential energy function (PEF)." In Linear Triatomic Molecules, 13–16. Berlin, Heidelberg: Springer Berlin Heidelberg, 2004. http://dx.doi.org/10.1007/10837166_4.

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Guelachvili, G. "Potential energy function (PEF)." In Linear Triatomic Molecules, 19–23. Berlin, Heidelberg: Springer Berlin Heidelberg, 2008. http://dx.doi.org/10.1007/978-3-540-74187-9_4.

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7

Bohm, Arno. "Energy Spectra of Some Molecules." In Quantum Mechanics: Foundations and Applications, 117–58. New York, NY: Springer New York, 1993. http://dx.doi.org/10.1007/978-1-4612-4352-6_3.

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Bohm, Arno, and Mark Loewe. "Energy Spectra of Some Molecules." In Quantum Mechanics: Foundations and Applications, 117–58. Berlin, Heidelberg: Springer Berlin Heidelberg, 1993. http://dx.doi.org/10.1007/978-3-642-88024-7_3.

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9

Bohm, Arno. "Energy Spectra of Some Molecules." In Quantum Mechanics: Foundations and Applications, 117–58. Berlin, Heidelberg: Springer Berlin Heidelberg, 1986. http://dx.doi.org/10.1007/978-3-662-01168-3_3.

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Yurchenko, Sergey. "Kinetic energy operator: Triatomic molecules." In Computational Spectroscopy of Polyatomic Molecules, 79–100. Boca Raton: CRC Press, 2023. http://dx.doi.org/10.1201/9780429154348-4.

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Тези доповідей конференцій з теми "ENERGY MOLECULES"

1

Garcia Ortega, Pablo. "Hadronic Molecules." In 35th International Conference of High Energy Physics. Trieste, Italy: Sissa Medialab, 2011. http://dx.doi.org/10.22323/1.120.0165.

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2

Hill, Jeffrey R., and Dana D. Dlott. "Vibrational Relaxation and Energy Transfer in Ordered and Disordered Molecular Crystals." In International Conference on Ultrafast Phenomena. Washington, D.C.: Optica Publishing Group, 1986. http://dx.doi.org/10.1364/up.1986.tuf2.

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Анотація:
Vibrational energy transfer in condensed phases is a process which occurs on the picosecond time scale. In our lab, we are studying this process in complex molecules in the well-defined environment of a single molecular crystal. We have measured the lifetime of several vibrons in the model system naphthalene, and then extended these studies to several partially deuterated naphthalenes [1,2]. Vibrations in pure crystals form delocalized vibron bands which relax by emission of optical phonons. In disordered or mixed crystals, excited vibrations scatter off impurities and transfer energy to adjacent molecules. Our mixed crystal studies identified these processes. An important question which was raised was the relative importance of two types of relaxation processes. In a one site process, an excited vibration on one molecule decays to a lower vibration in the same molecule by emitting a phonon. In a two site process, the excited vibration decays to a mode on an adjacent molecule. In the naphthalene system, both processes seem to be important.
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3

Quan, Haiyong, and Zhixiong (James) Guo. "Energy Transfer and Molecule-Radiation Interaction in Optical Microcavities." In ASME 2006 International Mechanical Engineering Congress and Exposition. ASMEDC, 2006. http://dx.doi.org/10.1115/imece2006-14689.

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Laser energy transfer and molecule-radiation interaction in optical microcavity devices are characterized. The device is operated at whispering-gallery modes, and consists of a microcavity and a micro-waveguide coupled by a sub-micrometer air-gap. Emphases are placed on the influences of microcavity size and waveguide compatibility on the energy transfer and storage capability, on the interactions of foreign molecules with the evanescent radiation field surrounding a resonant microcavity. An optimal gap is found for the considered device configuration where maximum energy storage is achieved. This optimal gap is dependent on the resonance mode as well as the morphology. The Q factor increases exponentially with increasing gap and saturates as the gap approaches the optical wavelength. The influence of molecules attachment is demonstrated and the potential in molecular detection is discussed.
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4

Ong, Wen Jie, Ellen M. Sletten, Farnaz Niroui, Jeffrey H. Lang, Vladimir Bulovic, and Timothy M. Swager. "Electromechanically actuating molecules." In 2015 Fourth Berkeley Symposium on Energy Efficient Electronic Systems (E3S). IEEE, 2015. http://dx.doi.org/10.1109/e3s.2015.7336809.

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5

Wolf, H. C. "Molecules for energy transfer and switching." In Molecular electronics—Science and Technology. AIP, 1992. http://dx.doi.org/10.1063/1.42656.

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6

Casado, Juan. "Diradicaloid Organic Molecules in Energy Conversion." In nanoGe Spring Meeting 2022. València: Fundació Scito, 2022. http://dx.doi.org/10.29363/nanoge.nsm.2022.237.

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7

Liang, Zhi, and Hai-Lung Tsai. "Ab Initio Calculations of Vibrational Energy Levels and Transition Dipole Moments of CO2 Molecules." In ASME 2008 International Mechanical Engineering Congress and Exposition. ASMEDC, 2008. http://dx.doi.org/10.1115/imece2008-67765.

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Ab initio MD simulation of laser-matter interactions is a hot area in the study of the mechanisms of photo-dissociation, photo-ionization and laser induced chemical reactions. The major problems in the study of laser-molecule interactions are to determine the energies and wave functions of molecular vibration states and the molecular transition dipole moments. An efficient method is presented to calculate the intramolecular potential energies and electrical dipole moments of CO2 molecules at the electronic ground state by solving the Kohn-Sham (KS) equation for a total of 101,992 nuclear configurations. The Projector-Augmented Wave (PAW) exchange-correlation potential functionals and Plane Wave (PW) basis functions were used in solving the KS equation. The calculated intra-molecular potential function was then included in the pure vibrational Schro¨dinger equation to determine the vibrational energy eigen values and eigen functions. The vibrational wave functions combined with the calculated dipole moment function were used to determine the transition dipole moments. The calculated results have a good agreement with experimental values. These results can be further used to determinations of molecular spectroscopy and laser absorption coefficients.
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8

Harris, C. B., D. J. Russell, K. E. Schultz, and J. Z. Zhang. "Energy redistribution in molecules on the femtosecond timescale." In OSA Annual Meeting. Washington, D.C.: Optica Publishing Group, 1991. http://dx.doi.org/10.1364/oam.1991.fj1.

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Liquid phase energy transfer has been studied in a range of molecules of varying complexity, providing a unique opportunity to compare various systems in solution. These systems include the recombination and relaxation of molecular iodine, the effect of solvent on the vibrational cooling of azulene, and the partitioning of energy in metal carbonyl fragments upon photodissociation. The iodine and azulene work, although performed in identical conditions, displays startling differences. The vibrational relaxation of molecular iodine is strongly dependent on solvent density and temperature, as predicted by isolated binary collision theories.1 The azulene relaxation rate is not strongly solvent dependent, yet it vibrationally relaxes much faster than molecular iodine.2 The vibrational cooling of Mn2(CO)10 photofragments occurs along two different pathways.3 Mn2(CO)9 relaxes through the CO stretch as well as through low frequency vibrational modes, while Mn(CO)5 relaxes only through low frequency modes, on a time scale similar to that seen in azulene. Thus IVR does not rapidly redistribute the excess energy in Mn2(CO)9 as it does in Mn(CO)5 and azulene.
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9

Boeckler, Cathrin, Armin Feldhoff, and Torsten Oekermann. "Nanostructured ZnO films electrodeposited using monosaccharide molecules as templates." In Solar Energy + Applications, edited by Jinghua Guo. SPIE, 2007. http://dx.doi.org/10.1117/12.730630.

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10

Ivanov, Evgeny, Munetake Nishihara, Igor Adamovich, and J. Rich. "Energy Transfer Kinetics of Vibrationally Excited Molecules." In 10th AIAA/ASME Joint Thermophysics and Heat Transfer Conference. Reston, Virigina: American Institute of Aeronautics and Astronautics, 2010. http://dx.doi.org/10.2514/6.2010-4514.

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Звіти організацій з теми "ENERGY MOLECULES"

1

Chang, Yan-Tyng. Potential energy surfaces and reaction dynamics of polyatomic molecules. Office of Scientific and Technical Information (OSTI), November 1991. http://dx.doi.org/10.2172/5926228.

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2

Chang, Yan-Tyng. Potential energy surfaces and reaction dynamics of polyatomic molecules. Office of Scientific and Technical Information (OSTI), November 1991. http://dx.doi.org/10.2172/10124759.

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3

Davis, Steven J. Rotational Energy Transfer in Metastable States of Heteronuclear Molecules. Fort Belvoir, VA: Defense Technical Information Center, January 1989. http://dx.doi.org/10.21236/ada226768.

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4

Badgett, Alex, William Xi, and Mark Ruth. The Potential for Electrons to Molecules Using Solar Energy. Office of Scientific and Technical Information (OSTI), September 2021. http://dx.doi.org/10.2172/1819945.

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5

Dlott, Dana D. Vibrational Energy in Molecules and Nanoparticles: Applications to Energetic Materials. Fort Belvoir, VA: Defense Technical Information Center, January 2009. http://dx.doi.org/10.21236/ada495351.

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6

Lewandowski, Heather. Resonant Energy Transfer in a System of Cold Trapped Molecules. Fort Belvoir, VA: Defense Technical Information Center, October 2011. http://dx.doi.org/10.21236/ada565577.

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7

Crim, F. F. Time Resolved Energy Transfer and Photodissociation of Vibrationally Excited Molecules. Fort Belvoir, VA: Defense Technical Information Center, June 2007. http://dx.doi.org/10.21236/ada469746.

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8

Pulay, Peter, and Jon Baker. Efficient Modeling of Large Molecules: Geometry Optimization Dynamics and Correlation Energy. Fort Belvoir, VA: Defense Technical Information Center, April 2003. http://dx.doi.org/10.21236/ada416248.

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9

Tanjore, Deepti. Testing molecules that disperse biofilms and biofouling and improve water recycling energy efficiency. Office of Scientific and Technical Information (OSTI), June 2020. http://dx.doi.org/10.2172/1633788.

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10

Rempe, Susan, Josh Vermaas, and Emad Tajkhorshid. Coupling Chemical Energy with Protein Conformational Changes to Translocate Small Molecules Across Membranes. Office of Scientific and Technical Information (OSTI), October 2016. http://dx.doi.org/10.2172/1563079.

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