scholarly journals Surface Morphology and Sulfur Reduction Pathways of MoS2 Mo Edges of the Monolayer and (100) and (103) Surfaces by Molecular Hydrogen: A DFT Study

ACS Omega ◽  
2019 ◽  
Vol 4 (2) ◽  
pp. 4023-4028
Author(s):  
Sergei Posysaev ◽  
Matti Alatalo
Keyword(s):  
Surface Morphology ◽  
Molecular Hydrogen ◽  
Dft Study ◽  
Sulfur Reduction

scholarly journals The N-atom in [N(PR3)2]+ cations (R = Ph, Me) can act as electron donor for (pseudo) anti-electrostatic interactions

CrystEngComm ◽  
2015 ◽  
Vol 17 (20) ◽  
pp. 3768-3771 ◽  
Author(s):  
Antonio Bauzá ◽  
Antonio Frontera ◽  
Tiddo J. Mooibroek ◽  
Jan Reedijk
Keyword(s):  
Hydrogen Bonding ◽  
Electron Donor ◽  
Molecular Hydrogen ◽  
Electrostatic Interactions ◽  
Lone Pair ◽  
Dft Study ◽  
Nitrogen Lone Pair

A CSD analysis and DFT study reveal that the nitrogen lone-pair in [N(PPh3)2]+ is partially intact and involved in intramolecular hydrogen bonding.

Scrutinizing the substituent effect on Mo-based electrocatalysts for molecular hydrogen release through axial–equatorial decomposition: a DFT study

2019 ◽  
Vol 21 (30) ◽  
pp. 16601-16614 ◽  
Author(s):  
Diana Yepes ◽  
Pablo Jaque ◽  
Jorge I. Martínez-Araya
Keyword(s):  
Substituent Effect ◽  
Molecular Hydrogen ◽  
Aqueous Media ◽  
Hydrogen Release ◽  
Dft Study ◽  
Kinetics And Thermodynamics

The effect of electron-donating and -withdrawing groups is studied in terms of axial and equatorial locations at the p-pyridine rings in the [(PY5Me2)MoO]2+ for the H2 release in aqueous media. It opens a way to modify its kinetics and thermodynamics.

A computational and conceptual DFT study on the mechanism of hydrogen activation by novel frustrated Lewis pairs

2015 ◽  
Vol 17 (16) ◽  
pp. 10715-10725 ◽  
Author(s):  
Patricia Pérez ◽  
Diana Yepes ◽  
Pablo Jaque ◽  
Eduardo Chamorro ◽  
Luis R. Domingo ◽  
...  
Keyword(s):  
Molecular Hydrogen ◽  
Conceptual Dft ◽  
Dft Study ◽  
Frustrated Lewis Pairs ◽  
Hydrogen Activation ◽  
Lewis Pairs

The activation of molecular hydrogen, H2, by three models of FLPs.

scholarly journals Effect of surface morphology on methane interaction with calcite: a DFT study

RSC Advances ◽  
2020 ◽  
Vol 10 (28) ◽  
pp. 16669-16674
Author(s):  
Abdulmujeeb T. Onawole ◽  
Ibnelwaleed A. Hussein ◽  
Giuliano Carchini ◽  
A. Sakhaee-Pour ◽  
Golibjon R. Berdiyorov
Keyword(s):  
Surface Morphology ◽  
Dft Study ◽  
P Adsorption ◽  
Surface Energies ◽  
Effect Of Surface

Adsorption and surface energies of methane on different calcite morphologies.

An Established Epithelial Cell Line (NPC/HK1) from a Nasopharyngeal Carcinoma - II. A Sem Study

1982 ◽  
Vol 40 ◽  
pp. 224-225
Author(s):  
Li C.L. ◽  
Chew E.C. ◽  
Huang D.P. ◽  
Ho H.C. ◽  
Mak L.S. ◽  
...  
Keyword(s):  
Nasopharyngeal Carcinoma ◽  
Epithelial Cell ◽  
Surface Morphology ◽  
Cell Line ◽  
Epithelial Cell Line ◽  
Present Communication ◽  
Cells In Culture ◽  
Sem Study ◽  
Well Differentiated

An epithelial cell line, NPC/HK1, has recently been successfully established from a nasopharyngeal carcinoma of the moderately to well differentiated squamous type. The present communication reports on the surface morphology of the NPC/HK1 cells in culture.

Specimen Collection Effect in Scanning Electron Microscopy Images

1972 ◽  
Vol 30 ◽  
pp. 448-449
Author(s):  
J. Temple Black ◽  
Jose Guerrero
Keyword(s):  
Surface Morphology ◽  
Secondary Electron Emission ◽  
Secondary Electrons ◽  
Charge Effects ◽  
Material Density ◽  
Specimen Collection ◽  
The Subject ◽  
Curved Paths ◽  
Subject Material ◽  
Microscopy Images

In the SEM, contrast in the image is the result of variations in the volume secondary electron emission and backscatter emission which reaches the detector and serves to intensity modulate the signal for the CRT's. This emission is a function of the accelerating potential, material density, chemistry, crystallography, local charge effects, surface morphology and especially the angle of the incident electron beam with the particular surface site. Aside from the influence of object inclination, the surface morphology is the most important feature In producing contrast. “Specimen collection“ is the name given the shielding of the collector by adjacent parts of the specimen, producing much image contrast. This type of contrast can occur for both secondary and backscatter electrons even though the secondary electrons take curved paths to the detector-collector.Figure 1 demonstrates, in a unique and striking fashion, the specimen collection effect. The subject material here is Armco Iron, 99.85% purity, which was spark machined.

The Effect of Benzene on Bluegill Olfactory Lamellae

1985 ◽  
Vol 43 ◽  
pp. 574-575
Author(s):  
D.R. Mattie ◽  
J.W. Fisher
Keyword(s):  
Surface Morphology ◽  
Soluble Fraction ◽  
Lepomis Macrochirus ◽  
Sublethal Concentration ◽  
Water Soluble ◽  
Major Constituent ◽  
Jet Fuels ◽  
Aquatic Biota ◽  
Normal Surface ◽  
Cacodylate Buffer

Jet fuels such as JP-4 can be introduced into the environment and come in contact with aquatic biota in several ways. Studies in this laboratory have demonstrated JP-4 toxicity to fish. Benzene is the major constituent of the water soluble fraction of JP-4. The normal surface morphology of bluegill olfactory lamellae was examined in conjunction with electrophysiology experiments. There was no information regarding the ultrastructural and physiological responses of the olfactory epithelium of bluegills to acute benzene exposure.The purpose of this investigation was to determine the effects of benzene on the surface morphology of the nasal rosettes of the bluegill sunfish (Lepomis macrochirus). Bluegills were exposed to a sublethal concentration of 7.7±0.2ppm (+S.E.M.) benzene for five, ten or fourteen days. Nasal rosettes were fixed in 2.5% glutaraldehyde and 2.0% paraformaldehyde in 0.1M cacodylate buffer (pH 7.4) containing 1.25mM calcium chloride. Specimens were processed for scanning electron microscopy.

Observation of surface morphology by reflection electron holography

1989 ◽  
Vol 47 ◽  
pp. 536-537
Author(s):  
N. Osakabe ◽  
J. Endo ◽  
T. Matsuda ◽  
A. Tonomura
Keyword(s):  
Phase Shift ◽  
Surface Morphology ◽  
High Sensitivity ◽  
High Energy ◽  
Path Difference ◽  
Transmission Mode ◽  
Electron Holography ◽  
Dynamical Process ◽  
High Vertical Resolution ◽  
Amplification Technique

Progress in microscopy such as STM and TEM-TED has revealed surface structures in atomic dimension. REM has been used for the observation of surface dynamical process and surface morphology. Recently developed reflection electron holography, which employes REM optics to measure the phase shift of reflected electron, has been proved to be effective for the observation of surface morphology in high vertical resolution ≃ 0.01 Å.The key to the high sensitivity of the method is best shown by comparing the phase shift generation by surface topography with that in transmission mode. Difference in refractive index between vacuum and material Vo/2E≃10-4 owes the phase shift in transmission mode as shownn Fig. 1( a). While geometrical path difference is created in reflection mode( Fig. 1(b) ), which is measured interferometrically using high energy electron beam of wavelength ≃0.01 Å. Together with the phase amplification technique , the vertivcal resolution is expected to be ≤0.01 Å in an ideal case.

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