Role of Electronic Structure in the Susceptibility of Metastable Transition-Metal Oxide Structures to Transformation

ChemInform ◽  
2004 ◽  
Vol 35 (50) ◽  
Author(s):  
John Reed ◽  
Gerbrand Ceder
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
Metal Oxide ◽  
Transition Metal Oxide ◽  
Metastable Transition

scholarly journals Corrigendum: The Role of Reduced Graphite Oxide in Transition Metal Oxide Nanocomposites Used as Li Anode Material: An Operando Study on CoFe2 O4 /rGO

2017 ◽  
Vol 23 (7) ◽  
pp. 1722-1722
Author(s):  
Stefan Permien ◽  
Sylvio Indris ◽  
Gero Neubüser ◽  
Andy Fiedler ◽  
Lorenz Kienle ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Oxide ◽  
Anode Material ◽  
Graphite Oxide ◽  
Transition Metal Oxide ◽  
Reduced Graphite Oxide

scholarly journals Electronic structure variations of polar and nonpolar ZnO lattices with nitrogen-ion bombardment using synchrotron-based in situ photoemission and X-ray absorption spectroscopy

2020 ◽  
Vol 27 (1) ◽  
pp. 83-89
Author(s):  
Yuyang Huang ◽  
Yaping Li ◽  
Meng Wu ◽  
Hui-Qiong Wang ◽  
Xuebin Yuan ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
Metal Oxide ◽  
Photoelectron Spectroscopy ◽  
Transition Metal Oxide ◽  
Material Design ◽  
Surface Polarity ◽  
X Ray ◽  
Nitrogen Ion ◽  
X Ray Absorption

Surface polarity with different crystal orientations has been demonstrated as a crucial parameter in determining the physical properties and device applications in many transition metal oxide and semiconductor compound systems. The influences of surface polarity on electronic structures in nitrogen-incorporated ZnO lattices have been investigated in the present work. The successful doping of nitrogen atoms in ZnO lattices is suggested by the existence of N-related chemical bonds obtained from X-ray photoelectron spectroscopy analysis where a pronounced N–Zn peak intensity has been observed in the (000\bar 1)-terminated polar ZnO compound compared with the (10\bar 10)-terminated nonpolar ZnO compound. An energy shift of the valence band maximum towards the Fermi level has been resolved for both polar and nonpolar ZnO lattices, whereas a charge redistribution of the O 2p hybridized states is only resolved for o-plane ZnO with a polar surface. Angular-dependent X-ray absorption analyses at the O K-edge reveal enhanced surface-state contributions and asymmetric O 2p orbital occupations in the (000\bar 1)-terminated o-plane ZnO compound. The results shed light on the efficient nitrogen doping in ZnO lattices with polar surfaces. The comprehensive electronic structure investigations of correlations between impurity doping and surface polarity in ZnO lattices may also offer guidance for the material design in other transition metal oxide and semiconductor systems.

ChemInform Abstract: Transition Metal Oxide Chemistry: Electronic Structure Study of WO3, ReO3, and NaWO3.

ChemInform ◽  
2010 ◽  
Vol 28 (31) ◽  
pp. no-no ◽  
Author(s):  
F. CORA ◽  
M. G. STACHIOTTI ◽  
C. R. A. CATLOW ◽  
C. O. RODRIGUEZ
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
Metal Oxide ◽  
Transition Metal Oxide ◽  
Structure Study

Thermal Methane Activation by a Binary V-Nb Transition-Metal Oxide Cluster Cation: A Further Example for the Crucial Role of Oxygen-Centered Radicals

2013 ◽  
Vol 19 (35) ◽  
pp. 11496-11501 ◽  
Author(s):  
Zhe-Chen Wang ◽  
Jian-Wen Liu ◽  
Maria Schlangen ◽  
Thomas Weiske ◽  
Detlef Schröder ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Oxide ◽  
Crucial Role ◽  
Transition Metal Oxide ◽  
Methane Activation ◽  
Oxide Cluster ◽  
Cluster Cation ◽  
Metal Oxide Cluster
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