Properties of Pt-supported iron oxide ultra-thin films: Similarity of Hubbard-corrected and hybrid density functional theory description

2014 ◽  
Vol 141 (14) ◽  
pp. 144702 ◽  
Author(s):  
Stefano Prada ◽  
Livia Giordano ◽  
Gianfranco Pacchioni ◽  
Claudine Noguera ◽  
Jacek Goniakowski
Keyword(s):  
Thin Films ◽  
Density Functional Theory ◽  
Iron Oxide ◽  
Density Functional ◽  
Hybrid Density Functional Theory ◽  
Functional Theory ◽  
Hybrid Density Functional ◽  
Supported Iron

scholarly journals Enhanced electrical properties of antimony doped tin oxide thin films deposited via aerosol assisted chemical vapour deposition

2018 ◽  
Vol 6 (27) ◽  
pp. 7257-7266 ◽  
Author(s):  
Sapna D. Ponja ◽  
Benjamin A. D. Williamson ◽  
Sanjayan Sathasivam ◽  
David O. Scanlon ◽  
Ivan P. Parkin ◽  
...  
Keyword(s):  
Thin Films ◽  
Density Functional Theory ◽  
Tin Oxide ◽  
Density Functional ◽  
Vapour Deposition ◽  
Chemical Vapour ◽  
Hybrid Density Functional Theory ◽  
Functional Theory ◽  
Hybrid Density Functional ◽  
Insight Into

A scalable CVD route to SnO2 : Sb thin films that show resistivity as low as 4.7 × 10−4 Ω cm and a corresponding sheet resistance of 9 Ω sq−1. Theoritical insight into the defect chemistry is provided by ab initio hybrid density functional theory.

Optoelectronic and solar cell applications of Janus monolayers and their van der Waals heterostructures

2019 ◽  
Vol 21 (34) ◽  
pp. 18612-18621 ◽  
Author(s):  
M. Idrees ◽  
H. U. Din ◽  
R. Ali ◽  
G. Rehman ◽  
T. Hussain ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Solar Cell ◽  
Density Functional ◽  
Van Der Waals ◽  
Density Functional Theory Calculations ◽  
Hybrid Density Functional Theory ◽  
Van Der Waals Heterostructures ◽  
Functional Theory ◽  
Hybrid Density Functional

Janus monolayers and their van der Waals heterostuctures are investigated by hybrid density functional theory calculations.

scholarly journals A systematic study of chloride ion solvation in water using van der Waals inclusive hybrid density functional theory

2015 ◽  
Vol 113 (17-18) ◽  
pp. 2842-2854 ◽  
Author(s):  
Arindam Bankura ◽  
Biswajit Santra ◽  
Robert A. DiStasio ◽  
Charles W. Swartz ◽  
Michael L. Klein ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Systematic Study ◽  
Density Functional ◽  
Van Der Waals ◽  
Chloride Ion ◽  
Ion Solvation ◽  
Hybrid Density Functional Theory ◽  
Functional Theory ◽  
Hybrid Density Functional
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