Electron transfer at oxide surfaces. The MgO paradigm: from defects to ultrathin films
G Pacchioni, H Freund - Chemical reviews, 2013 - ACS Publications
Electron transfer (ET) is a fundamental process in physics, chemistry, and biology. 1 Charge
transfer determines phenomena like oxidation and reduction, bond activation and bond …
transfer determines phenomena like oxidation and reduction, bond activation and bond …
[HTML][HTML] Fabrication of MgO nanostructures and its efficient photocatalytic, antibacterial and anticancer performance
K Karthik, S Dhanuskodi, C Gobinath… - … of Photochemistry and …, 2019 - Elsevier
Magnesium oxide (MgO) nanostructures were prepared using microwave-assisted (M 1) and
hydrothermal (M 2) methods and characterized by XRD, SEM and FT-IR. It exhibits cubic …
hydrothermal (M 2) methods and characterized by XRD, SEM and FT-IR. It exhibits cubic …
Structural, morphological and optical properties of MgO nanoparticles for antibacterial applications
Magnesium oxide (MgO) nanoparticles have been synthesized by wet chemical reaction
method. The structural, optical and morphologies of MgO nanoparticles have been …
method. The structural, optical and morphologies of MgO nanoparticles have been …
Initial surface film on magnesium metal: A characterization by X-ray photoelectron spectroscopy (XPS) and photocurrent spectroscopy (PCS)
A detailed investigation of the initial film grown on mechanically polished Mg electrodes has
been carried out by ex situ X-ray Photoelectron Spectroscopy (XPS) and in situ Photocurrent …
been carried out by ex situ X-ray Photoelectron Spectroscopy (XPS) and in situ Photocurrent …
Theoretical study of the stabilization of cubic-phase by impurities
We have performed a thermodynamical analysis of the phase diagrams for ZrO 2-CaO and
ZrO 2-MgO solid solutions which has demonstrated that differential heats of mixing are …
ZrO 2-MgO solid solutions which has demonstrated that differential heats of mixing are …
Optical properties of strontium monochalcogenides from first principles
M Dadsetani, A Pourghazi - Physical Review B—Condensed Matter and …, 2006 - APS
Optical properties of strontium monochalcogenide compounds SrX (X= Se, Se, and Te) in
NaCl crystal structure are calculated using the band structure results obtained through the …
NaCl crystal structure are calculated using the band structure results obtained through the …
Full potential calculation of structural, electronic and elastic properties of alkaline earth oxides MgO, CaO and SrO
A theoretical study of structural and electronic properties of MgO, CaO and SrO is presented
using the full-potential linearized augmented plane wave method. In this approach, the local …
using the full-potential linearized augmented plane wave method. In this approach, the local …
Bulk and surface electronic structures of MgO
U Schönberger, F Aryasetiawan - Physical Review B, 1995 - APS
The bulk electronic structure of MgO is calculated from first principles including correlation
effects within the GW approximation. The band gap, the position of the 2s O band, and the …
effects within the GW approximation. The band gap, the position of the 2s O band, and the …
The energetics and electronic structure of defective and irregular surfaces on MgO
LN Kantorovich, JM Holender, MJ Gillan - Surface science, 1995 - Elsevier
Ab initio calculations based on the density-functional pseudopotential approach have been
used to study the fully relaxed structure, the electron distribution and the electronic density of …
used to study the fully relaxed structure, the electron distribution and the electronic density of …
Band theory of linear and nonlinear susceptibilities of some binary ionic insulators
WY Ching, F Gan, MZ Huang - Physical Review B, 1995 - APS
The linear and nonlinear optical responses in a large number of cubic insulators are studied
by means of first-principles local-density calculations. Complete results on band structures …
by means of first-principles local-density calculations. Complete results on band structures …