Effect of surface configurations on the room-temperature magnetism of pure ZnO

2016 ◽  
Vol 4 (19) ◽  
pp. 4166-4175 ◽  
Author(s):  
Yu-Chun Chen ◽  
Zumin Wang ◽  
Andreas Leineweber ◽  
Johannes Baier ◽  
Thomas Tietze ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Room Temperature ◽  
Surface Electronic Structure ◽  
Room Temperature Magnetism ◽  
Effect Of Surface

Room-temperature ferromagnetic-like behavior of ZnO pellets is strongly associated with the corresponding surface electronic structure.

Effect of surface electronic structure on the deexcitation of He 21S metastable atoms

1984 ◽  
Vol 136 (1) ◽  
pp. A9
Author(s):  
F. Bozso ◽  
J. Arias ◽  
G. Hanrahan ◽  
R.M. Martin ◽  
J.T. Yates ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Surface Electronic Structure ◽  
Effect Of Surface

The Effect of Surface Electronic Structure on the Bioactivity of Neutral Dopant Si, Ge, and Sn on TiO2 (110): A DFT Study

2017 ◽  
Vol 255 (3) ◽  
pp. 1700185 ◽  
Author(s):  
Aoni Xu ◽  
Chaofang Dong ◽  
Xin Wei ◽  
Yanxian Zhang ◽  
Xiaogang Li
Keyword(s):  
Electronic Structure ◽  
Dft Study ◽  
Surface Electronic Structure ◽  
Effect Of Surface

Effect of surface electronic structure on the deexcitation of He 21S metastable atoms

1984 ◽  
Vol 136 (1) ◽  
pp. 257-266 ◽  
Author(s):  
F. Bozso ◽  
J. Arias ◽  
G. Hanrahan ◽  
R.M. Martin ◽  
J.T. Yates ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Surface Electronic Structure ◽  
Effect Of Surface

Conformation and electronic structure of aromatic chloroformates

1987 ◽  
Vol 52 (4) ◽  
pp. 970-979 ◽  
Author(s):  
Otto Exner ◽  
Pavel Fiedler
Keyword(s):  
Electronic Structure ◽  
Oxygen Atom ◽  
Strong Interaction ◽  
Electron Distribution ◽  
Room Temperature ◽  
Functional Group ◽  
Dipole Moments ◽  
Carbonyl Oxygen ◽  
Nonpolar Solvents ◽  
Single Method

Aromatic chloroformates Ib-Ie were shown to exist in the ap conformation, in agreement with aliphatic chloroformates, i.e. the alkyl group is situated cis to the carbonyl oxygen atom as it is the case in all esters. While 4-nitrophenyl chloroformate (Ie) is in this conformation in crystal, in solution at most several tenths of percent of the sp conformation may be populated at room temperature and in nonpolar solvents only. A new analysis of dipole moments explained the previous puzzling results and demonstrated the impossibility to determine the conformation by this single method, in consequence of the strong interaction of adjoining bonds. If, however, the ap conformation is once proven, the dipole moments reveal some features of the electron distribution on the functional group, characterized by the enhanced polarity of the C-Cl bond and reduced polarity of the C=O bond. This is in agreement with the observed bond lengths and angles.

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