DFT study of Sb(III) and Sb(V) adsorption and heterogeneous oxidation on hydrated oxide surfaces

The Effect of Pristine and Hydroxylated Oxide Surfaces on the Guaiacol HDO Process: A DFT Study

ChemPhysChem ◽

10.1002/cphc.202100583 ◽

2021 ◽

Author(s):

Fabian Morteo‐Flores ◽

Alberto Roldan

Keyword(s):

Dft Study ◽

Oxide Surfaces

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Trends of amino acid adsorption onto graphene and graphene oxide surfaces: a dispersion corrected DFT study

RSC Advances ◽

10.1039/c5ra16683g ◽

2015 ◽

Vol 5 (113) ◽

pp. 92843-92857 ◽

Cited By ~ 38

Author(s):

H. Tavassoli Larijani ◽

M. Darvish Ganji ◽

M. Jahanshahi

Keyword(s):

Amino Acids ◽

Graphene Oxide ◽

Amino Acid ◽

Adsorption Properties ◽

Dft Study ◽

Oxide Surfaces ◽

First Principle ◽

First Principle Calculations

First-principle calculations based on DFT were performed to investigate the adsorption properties of amino acids onto graphene surfaces.

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Tuning the charge state of Ag and Au atoms and clusters deposited on oxide surfaces by doping: a DFT study of the adsorption properties of nitrogen- and niobium-doped TiO2 and ZrO2

Physical Chemistry Chemical Physics ◽

10.1039/c5cp03834k ◽

2015 ◽

Vol 17 (34) ◽

pp. 22342-22360 ◽

Cited By ~ 32

Author(s):

Philomena Schlexer ◽

Antonio Ruiz Puigdollers ◽

Gianfranco Pacchioni

Keyword(s):

Charge State ◽

Adsorption Properties ◽

Dft Study ◽

Oxide Surfaces ◽

Doped Tio2 ◽

Au Clusters ◽

Niobium Doped

Defects (O vacancies) and dopants (nitrogen and niobium impurities) in titania and zirconia affect the properties of adsorbed Ag and Au clusters.

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DFT study of the water-assisted tautomerization process between hydrated oxide, MO(H2O)+, and dihydroxide, M(OH)2+, cations (M=V, Nb and Ta)

Chemical Physics Letters ◽

10.1016/j.cplett.2003.11.093 ◽

2004 ◽

Vol 384 (1-3) ◽

pp. 56-62 ◽

Cited By ~ 17

Author(s):

J.R Sambrano ◽

J Andrés ◽

L Gracia ◽

V.S Safont ◽

A Beltrán

Keyword(s):

Dft Study ◽

Hydrated Oxide

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Electron Microscopy of Silicon Deposits in Foliar Idioblasts of Magnolia Grandiflora

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100091858 ◽

1976 ◽

Vol 34 ◽

pp. 374-375

Author(s):

Michael T. Postek

Keyword(s):

Electron Microscopy ◽

Water Loss ◽

Normal Development ◽

Magnolia Grandiflora ◽

Plant Body ◽

Normal Metabolism ◽

Hydrated Oxide

Silicon occurs naturally in plants in the form of its hydrated oxide (SiO2.nH2O) commonly called silica. Silica has been shown to be a necessary element in the normal development of many plants, playing an array of roles including strengthening, protection, and reduction of water loss. Deposition of silica in various portions of the plant body, especially the leaves, may also be viewed as a way for the plant to dispose of any excess silica taken up beyond that necessary for normal metabolism.Studies of this “opaline” silica have thus far been limited to species of the Cyperaceae and Gramineae known to possess significant quantities of silica. Within the Magnoliaceae, certain “glistening” idioblast cells at the foliar veinlet termini and vein sheaths of Magnolia grandiflora (1) have been suspected to be siliceous in nature.

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The Nature of Oxide Surfaces: Topographic and Electronic Structure

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100150666 ◽

1993 ◽

Vol 51 ◽

pp. 966-967

Author(s):

Dawn A. Bonnell ◽

Yong Liang

Keyword(s):

Transition Metal Oxides ◽

Electronic Structures ◽

Recent Progress ◽

Spatial Localization ◽

Level Of Detail ◽

Scanning Tunneling ◽

Oxide Surfaces ◽

Tunneling Microscopy ◽

Considerable Effort ◽

Complete Understanding

Recent progress in the application of scanning tunneling microscopy (STM) and tunneling spectroscopy (STS) to oxide surfaces has allowed issues of image formation mechanism and spatial resolution limitations to be addressed. As the STM analyses of oxide surfaces continues, it is becoming clear that the geometric and electronic structures of these surfaces are intrinsically complex. Since STM requires conductivity, the oxides in question are transition metal oxides that accommodate aliovalent dopants or nonstoichiometry to produce mobile carriers. To date, considerable effort has been directed toward probing the structures and reactivities of ZnO polar and nonpolar surfaces, TiO2 (110) and (001) surfaces and the SrTiO3 (001) surface, with a view towards integrating these results with the vast amount of previous surface analysis (LEED and photoemission) to build a more complete understanding of these surfaces. However, the spatial localization of the STM/STS provides a level of detail that leads to conclusions somewhat different from those made earlier.

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