DFT Study on Anatase TiO2 Nanowires: Structure and Electronic Properties As Functions of Size, Surface Termination, and Morphology

2010 ◽  
Vol 114 (29) ◽  
pp. 12389-12400 ◽  
Author(s):  
Amilcare Iacomino ◽  
Giovanni Cantele ◽  
Fabio Trani ◽  
Domenico Ninno
Keyword(s):  
Electronic Properties ◽  
Anatase Tio2 ◽  
Dft Study ◽  
Tio2 Nanowires ◽  
Surface Termination

DFT study of the effect of hidrocarbonated chains on the electronic properties of some oligothiophene derivatives

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Author(s):  
Manuel Fernández-Gómez ◽  
Amparo Navarro ◽  
MªPaz Fernández-Liencres ◽  
Mónica Moral ◽  
José Manuel Granadino-Roldán ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Dft Study

scholarly journals A DFT Study of Structural and Electronic Properties of ZnS Polymorphs and its Pressure-Induced Phase Transitions

2014 ◽  
Vol 97 (12) ◽  
pp. 4011-4018 ◽  
Author(s):  
Felipe A. La Porta ◽  
Lourdes Gracia ◽  
Juan Andrés ◽  
Júlio R. Sambrano ◽  
Jose A. Varela ◽  
...  
Keyword(s):  
Phase Transitions ◽  
Electronic Properties ◽  
Dft Study ◽  
Structural And Electronic Properties

A Spectroscopic and DFT Study of the Electronic Properties of Carbazole-Based D–A Type Copolymers

2012 ◽  
Vol 116 (40) ◽  
pp. 21255-21266 ◽  
Author(s):  
Matthew E. Reish ◽  
Sanghun Nam ◽  
Wonho Lee ◽  
Han Young Woo ◽  
Keith C. Gordon
Keyword(s):  
Electronic Properties ◽  
Dft Study

Tailoring the ultrafast and nonlinear photonics of MXenes through elemental replacement

Nanoscale ◽  
2021 ◽  
Author(s):  
Hualong Chen ◽  
Lingfeng Gao ◽  
Omar A Al-Hartomy ◽  
Feng Zhang ◽  
Ahmed A. Al Ghamdi ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Optoelectronic Devices ◽  
Surface Termination ◽  
Chemical Surface ◽  
Elemental Compositions ◽  
New Generation ◽  
Unique Chemical ◽  
Nonlinear Photonics

Due to the outstanding electronic properties, unique chemical surface termination units and richness elemental compositions, MXenes have become promising candidates for developing new generation optoelectronic devices. However, there was still...

Energetic and electronic properties of NH3, NO2 and SO2 interacting with GaN nanotube: a DFT study

2021 ◽  
Vol 27 (8) ◽  
Author(s):  
Andrew A. J. Anchieta da Silva ◽  
Caio Vinícius Caetano ◽  
Silvete Guerini
Keyword(s):  
Electronic Properties ◽  
Dft Study

Structural and electronic properties of in-plane phase engineered WSe2: A DFT study

2018 ◽  
Author(s):  
Ankush Bharti ◽  
Pooja Kapoor ◽  
Munish Sharma ◽  
Raman Sharma ◽  
P. K. Ahluwalia
Keyword(s):  
Electronic Properties ◽  
Dft Study ◽  
Structural And Electronic Properties
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