Theoretical Study on the Electronic and Structural Properties of p-Type Transparent Conducting Metal Oxides

2006 ◽  
Author(s):  
Chen Lv ◽  
Xiaojing Wang ◽  
Agalya Govindasamy ◽  
Hideyuki Tsuboi ◽  
Michihisa Koyama ◽  
...  
2007 ◽  
Vol 46 (4B) ◽  
pp. 2603-2608 ◽  
Author(s):  
Chen Lv ◽  
Agalya Govindasamy ◽  
Hideyuki Tsuboi ◽  
Michihisa Koyama ◽  
Akira Endou ◽  
...  

2017 ◽  
Vol 19 (36) ◽  
pp. 24840-24854 ◽  
Author(s):  
S. Carlotto ◽  
L. Floreano ◽  
A. Cossaro ◽  
M. Dominguez ◽  
M. Rancan ◽  
...  

The combined use of NEXAFS spectroscopic data and DFT results on TM(acac)3(TM = Cr, Mn, Fe) allowed us to look into the TM–ligand bonding scheme and to rationalize the peculiar electronic and structural properties of the title complexes.


2016 ◽  
Vol 18 (38) ◽  
pp. 26885-26893 ◽  
Author(s):  
R. G. Freitas ◽  
F. W. S. Lucas ◽  
M. A. Santanna ◽  
R. A. Mendes ◽  
A. J. Terezo ◽  
...  

The effects of the structural and electronic parameters on the water splitting over CdSe@TiO2NT were investigated using experimental and theoretical methods.


2018 ◽  
Vol 20 (31) ◽  
pp. 20447-20458 ◽  
Author(s):  
L. Benatto ◽  
C. F. N. Marchiori ◽  
M. G. E. da Luz ◽  
M. Koehler

Through theoretical analysis, we study relevant properties of some molecular structures formed by oligothiophenes (T) and dioctylfluorenes (F) units, like the exciton binding energy (Eb) and dipole moment, important for the efficiency of different kinds of optical and electronic devices.


ChemPhysChem ◽  
2014 ◽  
Vol 15 (11) ◽  
pp. 2267-2280 ◽  
Author(s):  
Desireé M. de los Santos ◽  
Teresa Aguilar ◽  
Antonio Sánchez-Coronilla ◽  
Javier Navas ◽  
Norge Cruz Hernández ◽  
...  

2013 ◽  
Vol 117 (10) ◽  
pp. 2169-2180 ◽  
Author(s):  
L. P. Avendaño Jiménez ◽  
G. A. Echeverría ◽  
O. E. Piro ◽  
S. E. Ulic ◽  
J. L. Jios

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