Electronic structure of a complex with charge transfer and carrier energy bands in thin films of semiconductors containing carbazole

1989 ◽  
Vol 32 (7) ◽  
pp. 543-546
Author(s):  
N. A. Davidenko ◽  
N. G. Kuvshinskii ◽  
V. I. Strikha
2020 ◽  
Vol 22 (7) ◽  
pp. 3867-3874 ◽  
Author(s):  
Yurong Ruan ◽  
Lu Huang ◽  
Yanmin Yang ◽  
Guigui Xu ◽  
Kehua Zhong ◽  
...  

The electronic structure and charge transfer of Bi2Te2Se and Bi2Se2Te thin films are robust to an external electrical field.


2021 ◽  
Author(s):  
Federico Coppola ◽  
Paola Cimino ◽  
Umberto Raucci ◽  
Maria Gabriella Chiariello ◽  
Alessio Petrone ◽  
...  

We present electronic structure methods to unveil non-radiative pathways of photoinduced charge transfer (CT) reactions that play a main role in photophysics and light harvesting technologies. A prototypical π-stacked molecular...


1996 ◽  
Vol 446 ◽  
Author(s):  
Martina E. Bachlechner ◽  
Ingvar Ebbsjö ◽  
Rajiv K. Kalia ◽  
Priya Vashishta

AbstractStructural correlations at the Si(111)/Si3N4(0001) interface are studied using the molecular dynamics (MD) method. In the bulk, Si is described by the Stillinger-Weber potential and Si3N4 by an interaction potential which contains two-body (steric, Coulomb, electronic polarizabilities) and three-body (bond bending and stretching) terms. At the interface, the charge transfer from silicon to nitrogen is taken from LCAO electronic structure calculations. Using these Si, Si3N4 and interface interactions in MD simulations, the interface structure (atomic positions, bond lengths, and bond angles) is determined. Results for fracture in silicon are also presented.


2015 ◽  
Vol 628 ◽  
pp. 151-157 ◽  
Author(s):  
Khalid Sultan ◽  
M. Ikram ◽  
Sanjeev Gautam ◽  
Han-Koo Lee ◽  
Keun Hwa Chae ◽  
...  

1991 ◽  
Vol 185-189 ◽  
pp. 2019-2020 ◽  
Author(s):  
N. Terada ◽  
G. Zouganelis ◽  
M. Jo ◽  
M. Hirabayashi ◽  
K. Kaneko ◽  
...  

2013 ◽  
Author(s):  
Mahesh Chandra ◽  
Amit Khare ◽  
Fozia Aziz ◽  
Rakesh Rana ◽  
D. S. Rana ◽  
...  

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