scholarly journals Simulating preferential sorption of tartrate on prismatic calcite surfaces

CrystEngComm ◽  
2015 ◽  
Vol 17 (1) ◽  
pp. 149-159 ◽  
Author(s):  
Marko Ukrainczyk ◽  
Maximilian Greiner ◽  
Ekaterina Elts ◽  
Heiko Briesen
Keyword(s):  
Surface Charge ◽  
Binding Energies ◽  
Structural Match ◽  
Water Layers ◽  
Preferential Sorption

Calculated binding energies of favorable adsorption configurations emphasize the importance of surface charge/energetics, structural match and water layers in mineral–organic interactions.

Photoreflectance and X-Ray Photoelectron Spectroscopy in Lt MBE GaAs

1991 ◽  
Vol 241 ◽  
Author(s):  
D. C. Look ◽  
J. E. Hoelscher ◽  
J. T. Grant ◽  
C. E. Stutz ◽  
K. R. Evans ◽  
...  
Keyword(s):  
Surface Charge ◽  
Active Layer ◽  
Photoelectron Spectroscopy ◽  
Binding Energies ◽  
Near Surface ◽  
X Ray ◽  
Molecular Beam Epitaxial ◽  
Layer Interface ◽  
Hall Effect Measurements ◽  
Good Agreement

ABSTRACTIt has recently been shown that a 1000Å cap layer of molecular beam epitaxial (MBE) GaAs grown at 200°C passivates the surface of a GaAs active layer (n≃2×1017cm−3) in the sense of reducing the free–carrier depletion which arises from surface acceptor states. The same phenomenon holds for active-layer concentrations up to 7×1018cm−3, for caps as thin as 14Å, and for either As2 or As4 anion species. In an attempt to understand these effects, we have applied photoreflectance (PR) and x–ray photoelectron spectroscopy (XPS). In general, the PR shows contributions from the surface, cap/active–layer interface, and active–layer/buffer–layer interface, because each of these regions can have a different electric field. In fact the various field strengths can be determined from Franz–Keldysh oscillations (FKO), and good agreement with Hall–effect measurements is usually found. However, for 200°C material, no PR is seen, suggesting that there is no surface charge (no surface acceptor states below the Fermi level) or at least no surface–charge modulation by the light. The XPS data, which arise only from the near–surface (∼30Å) region, show that the binding energies in the capped samples are increased (i.e., surface Fermi pinning energy decreased) by 0.2 eV with respect to those in the uncapped samples. These data are discussed in relation to a passivation model.

Imaging molecules adsorbed onto electrodes under potential control by scanning probe microscopy

1991 ◽  
Vol 49 ◽  
pp. 376-377 ◽  
Author(s):  
N.J. Tao ◽  
J.A. DeRose ◽  
P.I. Oden ◽  
S.M. Lindsay
Keyword(s):  
Surface Charge ◽  
Environmental Effects ◽  
Scanning Probe Microscopy ◽  
Statistical Significance ◽  
Electrochemical Methods ◽  
Surface Structures ◽  
Scanning Probe ◽  
Potential Control ◽  
Afm Imaging ◽  
Special Circumstances

Clemmer and Beebe have pointed out that surface structures on graphite substrates can be misinterpreted as biopolymer images in STM experiments. We have been using electrochemical methods to react DNA fragments onto gold electrodes for STM and AFM imaging. The adsorbates produced in this way are only homogeneous in special circumstances. Searching an inhomogeneous substrate for ‘desired’ images limits the value of the data. Here, we report on a reversible method for imaging adsorbates. The molecules can be lifted onto and off the substrate during imaging. This leaves no doubt about the validity or statistical significance of the images. Furthermore, environmental effects (such as changes in electrolyte or surface charge) can be investigated easily.

Hydrogen in amorphous Ni–Zr: Pressure concentration isotherms, site occupation, and binding energies

1986 ◽  
Vol 1 (6) ◽  
pp. 765-773 ◽  
Author(s):  
E. Batalla ◽  
J.O. Strom-Olsen ◽  
Z. Altounian ◽  
D. Boothroyd ◽  
R. Harris
Keyword(s):  
Binding Energies ◽  
Site Occupation ◽  
Pressure Concentration

Multiple Donors in Zinc Oxide Substrates

2002 ◽  
Vol 719 ◽  
Author(s):  
K. Thonke ◽  
N. Kerwien ◽  
A. Wysmolek ◽  
M. Potemski ◽  
A. Waag ◽  
...  
Keyword(s):  
Zinc Oxide ◽  
Chemical Vapor ◽  
Binding Energies ◽  
Vapor Transport ◽  
Chemical Vapor Transport ◽  
Oxide Substrates ◽  
Multiple Donors ◽  
Major Donors ◽  
Available Zinc ◽  
Transport Technique

AbstractWe investigate by photoluminescence (PL) nominally undoped, commercially available Zinc Oxide substrates (from Eagle Picher) grown by seeded chemical vapor transport technique in order to identify residual donors and acceptors. In low temperature PL spectra the dominant emission comes from the decay of bound exciton lines at around 3.36 eV. Zeeman measurements allow the identification of the two strongest lines and some weaker lines in-between as donorrelated. From the associated two-electron satellite lines binding energies of the major donors of 48 meV and 55 meV, respectively, can be deduced.

MAGNETIC FIELD, PRESSURE AND TEMPERATURE DEPENDENT OPTICAL PROPERTIES IN A GaAs 9.0 P 1.0 QUANTUM DOT

2014 ◽  
Vol 6 (2) ◽  
pp. 1178-1190
Author(s):  
A. JOHN PETER ◽  
Ada Vinolin
Keyword(s):  
Magnetic Field ◽  
Optical Properties ◽  
Quantum Dot ◽  
Field Strength ◽  
Magnetic Field Strength ◽  
Photon Energy ◽  
Nonlinear Optical ◽  
Binding Energies ◽  
Nonlinear Optical Properties ◽  
Optical Rectification

Simultaneous effects of magnetic field, pressure and temperature on the exciton binding energies are found in a 9.0 1.0 6.0 4.0 GaAs P / GaAs P quantum dot. Numerical calculations are carried out taking into consideration of spatial confinement effect. The cylindrical system is taken in the present problem with the strain effects. The electronic properties and the optical properties are found with the combined effects of magnetic field strength, hydrostatic pressure and temperature values. The exciton binding energies and the nonlinear optical properties are carried out taking into consideration of geometrical confinement and the external perturbations.Compact density approach is employed to obtain the nonlinear optical properties. The optical rectification coefficient is obtained with the photon energy in the presence of pressure, temperature and external magnetic field strength. Pressure and temperature dependence on nonlinear optical susceptibilities of generation of second and third order harmonics as a function of incident photon energy are brought out in the influence of magnetic field strength. The result shows that the electronic and nonlinear optical properties are significantly modified by the applications of external perturbations in a 9.0 1.0 6.0 4.0 GaAs P / GaAs P quantum dot.

Molecular Characterization of the Surface Excess Charge Layer in Droplets

2020 ◽  
Author(s):  
Victor Kwan ◽  
Styliani Consta
Keyword(s):  
Hydrogen Bonds ◽  
Surface Charge ◽  
Droplet Size ◽  
Chloride Ions ◽  
Total Charge ◽  
Excess Charge ◽  
Surface Excess ◽  
High Concentration ◽  
Dipole Orientation ◽  
Charge Layer

<div>Charged droplets play a central role in native mass spectrometry, atmospheric aerosols and in serving as micro-reactors for accelerating chemical reactions. The surface excess charge layer in droplets has often been associated with distinct chemistry. Using molecular simulations for droplets with Na+ and Cl- ions we have found that this layer is ≈ 1.5−1.7 nm thick and depending on the droplet size it includes 33%-55% of the total number of ions. Here, we examine the effect of droplet size and nature of ions in the structure of the surface excess charge layer by using molecular dynamics. We find that in the presence of simple ions the thickness of the surface excess charge layer is invariant not only with respect to droplet size but also with respect to the nature of the simple ions and it is not sensitive to fine details of different force fields used in our simulations.</div><div> In the presence of macroions the excess surface charge layer may extend to 2.0. nm. For the same droplet size, iodide and model hydronium ions show considerably higher concentration than the sodium and chloride ions. <br></div><div>We also find that differences in the average water dipole orientation in the presence of cations and anions in this layer are reflected in the charge distributions. Within the surface charge layer, the number of hydrogen bonds reduces gradually relative to the droplet interior where the number of hydrogen bonds is on the average 2.9 for droplets of diameter < 4 nm and 3.5 for larger droplets. The decrease in the number of hydrogen bonds from the interior to the surface is less pronounced in larger droplets. In droplets with diameter < 4 nm and high concentration of ions the charge of the ions is not compensated only by the solvent polarization charge but by the total charge that also includes the other free charge. This finding shows exceptions to the commonly made assumption that the solvent compensates the charge of the ions in solvents with very high dielectric constant. The study provides molecular insight into the bi-layer droplet structure assumed in the equilibrium partitioning model of C. Enke and assesses critical assumptions of the Iribarne-Thomson model for the ion-evaporation mechanism. <br></div>

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