Publisher’s Note: “Methanol synthesis on ZnO(0001¯). I. Hydrogen coverage, charge state of oxygen vacancies, and chemical reactivity” [J. Chem. Phys. 130, 184706 (2009)]

2009 ◽  
Vol 131 (3) ◽  
pp. 039901
Author(s):  
Janos Kiss ◽  
Alexander Witt ◽  
Bernd Meyer ◽  
Dominik Marx
Keyword(s):  
Charge State ◽  
Methanol Synthesis ◽  
Oxygen Vacancies ◽  
Chemical Reactivity ◽  
Chem Phys

Methanol synthesis on ZnO(0001). I. Hydrogen coverage, charge state of oxygen vacancies, and chemical reactivity

2009 ◽  
Vol 130 (18) ◽  
pp. 184706 ◽  
Author(s):  
Janos Kiss ◽  
Alexander Witt ◽  
Bernd Meyer ◽  
Dominik Marx
Keyword(s):  
Charge State ◽  
Methanol Synthesis ◽  
Oxygen Vacancies ◽  
Chemical Reactivity

scholarly journals Unraveling the Charge State of Oxygen Vacancies in ZrO2–x on the Basis of Synergistic Computational and Experimental Evidence

2019 ◽  
Vol 123 (18) ◽  
pp. 11581-11590 ◽  
Author(s):  
Claudio Imparato ◽  
Marzia Fantauzzi ◽  
Cristiana Passiu ◽  
Ilaria Rea ◽  
Chiara Ricca ◽  
...  
Keyword(s):  
Experimental Evidence ◽  
Charge State ◽  
Oxygen Vacancies

Unraveling the Charge State of Oxygen Vacancies in Monoclinic ZrO2 and Spectroscopic Properties of ZrO2:Sm3+ Phosphor

2021 ◽  
Author(s):  
H. S. Lokesha ◽  
K. R. Nagabhushana ◽  
Fouran Singh ◽  
S. H. Tatumi ◽  
A. R. E. Prinsloo ◽  
...  
Keyword(s):  
Charge State ◽  
Oxygen Vacancies ◽  
Spectroscopic Properties ◽  
Monoclinic Zro2

Chemical reactivity of oxygen vacancies on the MgO surface: Reactions with CO2, NO2 and metals

2008 ◽  
Vol 133-135 ◽  
pp. 216-222 ◽  
Author(s):  
Elizabeth Florez ◽  
Patricio Fuentealba ◽  
Fanor Mondragón
Keyword(s):  
Oxygen Vacancies ◽  
Chemical Reactivity ◽  
Surface Reactions ◽  
Mgo Surface

Electronic Structure and Charge State of Oxygen Vacancies in Perfect ZrO2 Crystals

1990 ◽  
Vol 162 (1) ◽  
pp. 165-171 ◽  
Author(s):  
A. B. Sobolev ◽  
A. N. Varaksin ◽  
O. A. Keda ◽  
A. P. Khaimenov
Keyword(s):  
Electronic Structure ◽  
Charge State ◽  
Oxygen Vacancies

Au/ZnO as catalyst for methanol synthesis: The role of oxygen vacancies

2009 ◽  
Vol 359 (1-2) ◽  
pp. 121-128 ◽  
Author(s):  
Jennifer Strunk ◽  
Kevin Kähler ◽  
Xinyu Xia ◽  
Massimiliano Comotti ◽  
Ferdi Schüth ◽  
...  
Keyword(s):  
Methanol Synthesis ◽  
Oxygen Vacancies

Metal-Ion Distribution and Oxygen Vacancies That Determine the Activity of Magnetically Recoverable Catalysts in Methanol Synthesis

2017 ◽  
Vol 9 (39) ◽  
pp. 34005-34014 ◽  
Author(s):  
Troy Oracko ◽  
Rigel Jaquish ◽  
Yaroslav B. Losovyj ◽  
David Gene Morgan ◽  
Maren Pink ◽  
...  
Keyword(s):  
Methanol Synthesis ◽  
Metal Ion ◽  
Oxygen Vacancies ◽  
Ion Distribution ◽  
Magnetically Recoverable Catalysts ◽  
Recoverable Catalysts

Spatially Resolved Photoelectron Spectroscopy: Recent Progress and Future Plans

1990 ◽  
Vol 48 (2) ◽  
pp. 388-389
Author(s):  
A. M. Bradshaw
Keyword(s):  
Photoelectron Spectroscopy ◽  
Chemical Reactivity ◽  
Target Material ◽  
Orbital Energy ◽  
Light Sources ◽  
Analytical Technique ◽  
Hartree Fock ◽  
Spatially Resolved ◽  
Koopmans Theorem ◽  
Surface Analytical Technique

X-ray photoelectron spectroscopy (XPS or ESCA) was not developed by Siegbahn and co-workers as a surface analytical technique, but rather as a general probe of electronic structure and chemical reactivity. The method is based on the phenomenon of photoionisation: The absorption of monochromatic radiation in the target material (free atoms, molecules, solids or liquids) causes electrons to be injected into the vacuum continuum. Pseudo-monochromatic laboratory light sources (e.g. AlKα) have mostly been used hitherto for this excitation; in recent years synchrotron radiation has become increasingly important. A kinetic energy analysis of the so-called photoelectrons gives rise to a spectrum which consists of a series of lines corresponding to each discrete core and valence level of the system. The measured binding energy, EB, given by EB = hv−EK, where EK is the kineticenergy relative to the vacuum level, may be equated with the orbital energy derived from a Hartree-Fock SCF calculation of the system under consideration (Koopmans theorem).

Cluster analysis for large data sets: applications to individual aerosol particles from the mid-pacific

1992 ◽  
Vol 50 (2) ◽  
pp. 1488-1489
Author(s):  
Thomas W. Shattuck ◽  
James R. Anderson ◽  
Neil W. Tindale ◽  
Peter R. Buseck
Keyword(s):  
Cluster Analysis ◽  
Chemical Reactivity ◽  
Large Data ◽  
Large Data Sets ◽  
Particle Analysis ◽  
Data Sets ◽  
Halogen Chemistry ◽  
Complete Study ◽  
Components Analysis ◽  
Automated Scanning

Individual particle analysis involves the study of tens of thousands of particles using automated scanning electron microscopy and elemental analysis by energy-dispersive, x-ray emission spectroscopy (EDS). EDS produces large data sets that must be analyzed using multi-variate statistical techniques. A complete study uses cluster analysis, discriminant analysis, and factor or principal components analysis (PCA). The three techniques are used in the study of particles sampled during the FeLine cruise to the mid-Pacific ocean in the summer of 1990. The mid-Pacific aerosol provides information on long range particle transport, iron deposition, sea salt ageing, and halogen chemistry.Aerosol particle data sets suffer from a number of difficulties for pattern recognition using cluster analysis. There is a great disparity in the number of observations per cluster and the range of the variables in each cluster. The variables are not normally distributed, they are subject to considerable experimental error, and many values are zero, because of finite detection limits. Many of the clusters show considerable overlap, because of natural variability, agglomeration, and chemical reactivity.

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