Surface Structure Modification of ZnO and the Impact on Electronic Properties

2016 ◽  
Vol 28 (20) ◽  
pp. 3893-3921 ◽  
Author(s):  
Robert M. Hewlett ◽  
Martyn A. McLachlan
Keyword(s):  
Surface Structure ◽  
Electronic Properties ◽  
Structure Modification ◽  
The Impact

Atomic structures and electronic properties of Ta-doped 2H-NbSe2

RSC Advances ◽  
2014 ◽  
Vol 4 (101) ◽  
pp. 57541-57546 ◽  
Author(s):  
Hongping Li ◽  
Shuai Liu ◽  
Lin Chen ◽  
Jun Wu ◽  
Peng Zhang ◽  
...  
Keyword(s):  
Electronic Properties ◽  
First Principles ◽  
First Principles Calculations ◽  
Atomic Structures ◽  
The Impact ◽  
Ta Doping

First-principles calculations are conducted to investigate the impact of Ta doping on the atomistic structures and electronic properties of the technologically relevant 2H-NbSe2.

Defects of monolayer PbI2: a computational study

2021 ◽  
Vol 23 (36) ◽  
pp. 20553-20559
Author(s):  
Han Wang ◽  
Xiao Wang ◽  
Da Li
Keyword(s):  
Dft Calculations ◽  
Electronic Properties ◽  
Systematic Study ◽  
Computational Study ◽  
The Stability ◽  
The Impact

We performed a systematic study on the defects in PbI2 of both 1T and 1H phases by DFT calculations. The stability at the neutral and charged states was calculated. The impact of the defects on the electronic properties was also discussed.

scholarly journals The Electronic Properties of Extended Defects in SrTiO3—A Case Study of a Real Bicrystal Boundary

Crystals ◽  
2020 ◽  
Vol 10 (8) ◽  
pp. 665 ◽  
Author(s):  
Christian Rodenbücher ◽  
Dominik Wrana ◽  
Thomas Gensch ◽  
Franciszek Krok ◽  
Carsten Korte ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Boundary Region ◽  
Thermal Reduction ◽  
Fluorescence Lifetime Imaging ◽  
Extended Defects ◽  
Force Microscopy ◽  
Ab Initio Simulations ◽  
Complementary Method ◽  
Inhomogeneous Properties ◽  
The Impact

This study investigates the impact of extended defects such as dislocations on the electronic properties of SrTiO3 by using a 36.8° bicrystal as a model system. In order to evaluate the hypothesis that dislocations can serve as preferential reduction sites, which has been proposed in the literature on the basis of ab initio simulations, as well as on experiments employing local-conductivity atomic force microscopy (LC-AFM), detailed investigations of the bicrystal boundary are conducted. In addition to LC-AFM, fluorescence lifetime imaging microscopy (FLIM) is applied herein as a complementary method for mapping the local electronic properties on the microscale. Both techniques confirm that the electronic structure and electronic transport in dislocation-rich regions significantly differ from those of undistorted SrTiO3. Upon thermal reduction, a further confinement of conductivity to the bicrystal boundary region was found, indicating that extended defects can indeed be regarded as the origin of filament formation. This leads to the evolution of inhomogeneous properties of defective SrTiO3 on the nano- and microscales.

scholarly journals Unraveling the impact of the Pd nanoparticle@BiVO4/S-CN heterostructure on the photo-physical & opto-electronic properties for enhanced catalytic activity in water splitting and one-pot three-step tandem reaction

2019 ◽  
Vol 1 (4) ◽  
pp. 1395-1412 ◽  
Author(s):  
Subhajyoti Samanta ◽  
Biswarup Satpati ◽  
Rajendra Srivastava
Keyword(s):  
Catalytic Activity ◽  
Electronic Properties ◽  
Water Splitting ◽  
Tandem Reaction ◽  
One Pot ◽  
Pd Nanoparticle ◽  
The Impact

Influence of Pd NPs in the BiVO4/S-CN photocatalyst is demonstrated for the efficient water splitting and imine synthesis via tandem reaction.

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