scholarly journals Co(ii)-Based single-ion magnets with 1,1′-ferrocenediyl-bis(diphenylphosphine) metalloligands

2020 ◽  
Vol 49 (33) ◽  
pp. 11697-11707 ◽  
Author(s):  
J. Hrubý ◽  
D. Dvořák ◽  
L. Squillantini ◽  
M. Mannini ◽  
J. van Slageren ◽  
...  
Keyword(s):  
Thin Films ◽  
Ab Initio ◽  
Quantum Calculations

Two tetracoordinate Co(ii)-based single-ion-magnets were synthesised and characterised by HF-ESR, XPS, UV-VIS with support of ab initio quantum calculations and tested for drop-casting and sublimation depositions of thin films.

Tailored defect-induced sharp excitonic emission from microcrystalline CuI and its ab initio validation

2014 ◽  
Vol 2 (32) ◽  
pp. 6592-6600 ◽  
Author(s):  
Swati Das ◽  
Subhajit Saha ◽  
Dipayan Sen ◽  
Uttam Kumar Ghorai ◽  
Kalyan Kumar Chattopadhyay
Keyword(s):  
Thin Films ◽  
Ab Initio ◽  
Chemical Reaction ◽  
Room Temperature ◽  
Iodine Concentration ◽  
Excitonic Emission ◽  
Wet Chemical

Iodine concentration modulated free excitonic emission of CuI thin films developed by wet chemical reaction at room temperature.

The effect of the SnO2 substrate on the band gap and magnetic proprieties of MgH2 ultra-thin films: Ab-initio calculation

2019 ◽  
Vol 127 ◽  
pp. 27-34
Author(s):  
E. Salmani ◽  
M. Rouchdi ◽  
A. Endichi ◽  
E. Benchafia ◽  
H. Ez-Zahraouy ◽  
...  
Keyword(s):  
Thin Films ◽  
Ab Initio ◽  
Band Gap ◽  
Ab Initio Calculation

scholarly journals Local Structure of Glassy Lithium Phosphorus Oxynitride Thin Films: A Combined Experimental and Ab Initio Approach

2020 ◽  
Vol 59 (49) ◽  
pp. 22185-22193
Author(s):  
Maxwell A. T. Marple ◽  
Thomas A. Wynn ◽  
Diyi Cheng ◽  
Ryosuke Shimizu ◽  
Harris E. Mason ◽  
...  
Keyword(s):  
Thin Films ◽  
Ab Initio ◽  
Local Structure ◽  
Lithium Phosphorus Oxynitride ◽  
Ab Initio Approach

Experimental and ab-initio investigation of the microstructure and optoelectronic properties of FCM–CVD-prepared Al-doped ZnO thin films

2019 ◽  
Vol 125 (9) ◽  
Author(s):  
Ilyass Jellal ◽  
Hassan Ahmoum ◽  
Yassine Khaaissa ◽  
Khalid Nouneh ◽  
Mourad Boughrara ◽  
...  
Keyword(s):  
Thin Films ◽  
Ab Initio ◽  
Optoelectronic Properties ◽  
Zno Thin Films ◽  
Doped Zno

The electronic character of PTCDA thin films in comparison to other perylene-based organic semi-conductors: ab initio-, TD-DFT and semi-empirical computations of the opto-electronic properties of large aggregates

2017 ◽  
Vol 19 (3) ◽  
pp. 2434-2448 ◽  
Author(s):  
Daniel Bellinger ◽  
Jens Pflaum ◽  
Christoph Brüning ◽  
Volker Engel ◽  
Bernd Engels
Keyword(s):  
Thin Films ◽  
Electronic Structure ◽  
Ab Initio ◽  
Electronic Properties ◽  
Td Dft ◽  
Semi Empirical ◽  
Electronic Character

The electronic structure of crystalline PTCDA in comparison to other perylene-based organic semi-conductors.

Sign in / Sign up

Export Citation Format

Share Document