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Showing 1 to 20 of 200 for “"binding energy"”.
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The Binding Energy of the Classical Electron
No abstract prepared.
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Theoretical studies of water on substrates
… layer ledge, are used to calculate optimal binding energy contours for the adsorbed H<sub>2</sub>O molecule. (J. Phys. Chern. 84, 1473(1980)). The model substrate with the potassium impurity appears to increase the optimal binding energy at the preferred adsorption sites to 23 kcal/rnol -- a …
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Impurities in a Bose-Einstein condensate using quantum Monte-Carlo methods: ground-state properties.
… by adjusting the well depth. We calculate the binding energy, the effective mass and the pair correlation functions of a impurity along the attractive and the repulsive polaron branch. In particular, at the unitary limit of the impurity-bosons interaction, we find that the binding energy is …
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Temperature dependent excitonic effects in silicon
The exciton binding energy and phonon energies are the two key parameters in defining the bandgap energy of a semiconductor. A more accurate measurement of bandgap energy can be obtained by adding the excitonic binding energy and the corresponding phonon energy to the optically measured threshold. …
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Strongly interacting Fermi gases : non-equilibrium dynamics and dimensional crossover
… potential and observe the evolution of the pair binding energy using radio-frequency spectroscopy. The binding energy increases as the lattice depth increases, approaching the 2D limit. Gases with resonant interactions, which have no two-body bound state in three dimensions, show a large binding …
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Pt and Pt-Pd cluster interaction with graphene and TiO₂ based supports: A DFT study
… (except on hydroxylated TiO₂(110) surface) the binding of the clusters is enhanced relative to binding on the defect free supports. Enhanced binding at the defects imply that the clusters are bound strongly to the support and thus less likely to detach from the support material relative to …
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Quantitative Analysis Demonstrates Most Transcription Factors Require only Simple Models of Specificity
… proteins: TFs) interact with their specific binding sites in the genome. Understanding how TFs select correct binding sites out of the vast number of potential binding sites in the genome is a key challenge in molecular biology. Recently, unprecedented amount of quantitative binding data have …
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Theoretical study of fullerences and carbon nanotubes
… which indicates that [2+2] isomers are lower in energy than single bond (SB) isomers. The center to center distances (CCD) of these two isomers calculated in our study are in fair agreement with experiment. Part II presents a good model (Fe+-oronene) and a scheme to simulate the binding of iron …
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Low-temperature magnetophotoluminescence characterization of high-purity gallium arsenide and indium phosphide
… optoelectronic and microwave devices. The large binding energy differences of acceptors in GaAs and InP make possible the identification of those impurities by low-temperature photoluminescence without the use of any magnetic field. However, the sensitivity and resolution provided by this …
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Absorption and emission processes in organometal trihalide perovskites
… as absorbers in solar cells, reaching energy conversion efficiencies even higher than 20%. However, in spite of such an intense research, fundamental aspects of the photophysics remain still elusive, generating lively debates among researchers from all over the world. One of the more …
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Accelerating Catalytic Materials Discovery for Sustainable Nitrogen Transformations by Interpretable Machine Learning
… electronic factors for the stronger *N binding which leads to the observed improved activity. For NO3RR an interpretible machine learning model is used to understand ways to bypass the stringent limitations put on the electrocatalytic activity due to the *N vs *NO3 scaling relations. It …
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In silico-guided design, synthesis and antimicrobial activity of piperazine-linked 8-hydroxyquinoline-isatin hybrids
… agents. Hybrid drugs formed by covalently binding two pharmacophores, have shown promise in combating resistance. Monomers selected for this study include 8-hydroxyquinoline and isatin. There exist reports on the versatility of the 8-hydroxyquinoline ring and the antimicrobial, anticancer, …
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Experimental Interrogation Of One-Dimensional Excitons In Cadmium Selenide And Cadmium Telluride Quantum Nanostructures
… excitons, and therefore increase the exciton binding energy as compared to bulk and quantum well structures. In this thesis, excitons in single one-dimensional CdSe and CdTe QWs were investigated using a combination of optical microscopy techniques. My work indicates that excitons in single …
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Relativistic Hamiltonians and short range structure of nuclei
… as the sum of relativistic one-body kinetic energy, two- and three-body potentials and their boost corrections. Variational Monte Carlo method is used to study two kinds of relativistic effects in the binding energy of 3H and 4He. The first is due to the nonlocalities in the relativistic …
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Reactions of Halogenated Ethylenes on the α-Cr₂O₃ (101̅2) Surface
… (2p<sub>3/2</sub>=198.0-201.0 eV) with higher binding energy features associated with molecularly intact halogenated ethylenes and lower binding energy features associated with dissociated surface species. Near edge x-ray absorption fine structure spectra taken, corresponding to photoemission …
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Tantalum- and ruthenium-based diffusion barriers/adhesion promoters for copper/silicon dioxide and copper/low κ integration.
… (XPS) measurements of the films yielded a Si(2p) binding energy at 102.1 eV and Ta(4f7/2) binding energy at 26.2 eV, indicative of Ta silicate formation. O(1s) spectra indicate that the film is substantially hydroxylated. Annealing the film to > 900 K in UHV resulted in silicate decomposition to …
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Exploiting polar interfaces for photocatalytic water splitting: application to the anatase-cuprous oxide heterojunction
The conversion of solar energy to produce hydrogen by means of water splitting mechanism is a potentially transformative approach to achieving a clean and renewable energy society. Photo-produced hydrogen is a valuable fuel and energy carrier, which is easier to store than electricity or heat, and …
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Relativistic Hamiltonians and Short-Range Structure of Nuclei
… as the sum of relativistic one-body kinetic energy, two- and three-body potentials and their boost corrections. Variational Monte Carlo method is used to study two kinds of relativistic effects in the binding energy of $\sp3$H and $\sp4$He. The first is due to the nonlocalities in the …
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Optical Characterization of Electrochemically Self-Assembled Compound Semiconductor Nanowires
… The 10-nm wire spectra show an additional lower energy peak due to exciton recombination. In spite of dielectric de-confinement caused by the insulator having a higher dielectric constant than the semiconductor, the exciton binding energy increases almost 8-fold from its bulk value in the 10 nm …
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