scholarly journals Electronic properties of metal-induced gap states formed at alkali-halide/metal interfaces

2005 ◽  
Vol 71 (15) ◽  
Author(s):  
Manabu Kiguchi ◽  
Genki Yoshikawa ◽  
Susumu Ikeda ◽  
Koichiro Saiki
Keyword(s):  
Electronic Properties ◽  
Alkali Halide ◽  
Metal Interfaces ◽  
Gap States

scholarly journals Metal-Induced Gap States at Well Defined Alkali-Halide/Metal Interfaces

2003 ◽  
Vol 90 (19) ◽  
Author(s):  
Manabu Kiguchi ◽  
Ryotaro Arita ◽  
Genki Yoshikawa ◽  
Yoshiaki Tanida ◽  
Masao Katayama ◽  
...  
Keyword(s):  
Alkali Halide ◽  
Metal Interfaces ◽  
Gap States

scholarly journals Defect Processes in Halogen Doped SnO2

2021 ◽  
Vol 11 (2) ◽  
pp. 551
Author(s):  
Petros-Panagis Filippatos ◽  
Nikolaos Kelaidis ◽  
Maria Vasilopoulou ◽  
Dimitris Davazoglou ◽  
Alexander Chroneos
Keyword(s):  
Electronic Properties ◽  
Tin Oxide ◽  
Density Functional ◽  
Structural Changes ◽  
High Dielectric Constant ◽  
Density Functional Theory Calculations ◽  
Functional Theory ◽  
Optical And Electronic Properties ◽  
High Dielectric ◽  
Gap States

In the present study, we performed density functional theory calculations (DFT) to investigate structural changes and their impact on the electronic properties in halogen (F, Cl, Br, and I) doped tin oxide (SnO2). We performed calculations for atoms intercalated either at interstitial or substitutional positions and then calculated the electronic structure and the optical properties of the doped SnO2. In all cases, a reduction in the bandgap value was evident, while gap states were also formed. Furthermore, when we insert these dopants in interstitial and substitutional positions, they all constitute a single acceptor and donor, respectively. This can also be seen in the density of states through the formation of gap states just above the valence band or below the conduction band, respectively. These gap states may contribute to significant changes in the optical and electronic properties of SnO2, thus affecting the metal oxide’s suitability for photovoltaics and photocatalytic devices. In particular, we found that iodine (I) doping of SnO2 induces a high dielectric constant while also reducing the oxide’s bandgap, making it more efficient for light-harvesting applications.

scholarly journals An Experimental and Theoretical Study on the Effect of Silver Nanoparticles Concentration on the Structural, Morphological, Optical, and Electronic Properties of TiO2 Nanocrystals

Crystals ◽  
2021 ◽  
Vol 11 (12) ◽  
pp. 1488
Author(s):  
Faheem Ahmed ◽  
Mohammed Benali Kanoun ◽  
Chawki Awada ◽  
Christian Jonin ◽  
Pierre-Francois Brevet
Keyword(s):  
Electronic Properties ◽  
Density Functional ◽  
Anatase Phase ◽  
Density Functional Theory Calculations ◽  
Tio2 Nanocrystals ◽  
Uniform Size ◽  
Chemical Route ◽  
Structural And Electronic Properties ◽  
Nanoparticles Concentration ◽  
Gap States

In this work, pure and silver (Ag)-loaded TiO2 nanocrystals (NCs) with various concentrations of Ag were prepared by soft chemical route and the effect of Ag nanoparticles (NPs) on the functional properties of TiO2 was studied. X-ray diffraction (XRD) and Raman studies confirmed that the synthesized product had single-phase nature and high crystalline quality. The crystallite size was decreased from 18.3 nm to 13.9 nm with the increasing in concentration of Ag in TiO2 NCs. FESEM micrographs showed that the pure and AgNPs-loaded TiO2 have spherical morphology and uniform size distribution with the size ranging from 20 to 10 nm. Raman spectroscopy performed on pure and AgNPs-loaded TiO2 confirms the presence of anatase phase and AgNPs. Optical properties show the characteristics peaks of TiO2 and the shifting of the peaks position was observed by changing the concentration of Ag. The tuning of bandgap was found to be observed with the increase in Ag, which could be ascribed to the synergistic effect between silver and TiO2 NCs. Density functional theory calculations are carried out for different Ag series of doped TiO2 lattices to simulate the structural and electronic properties. The analysis of the electronic structures show that Ag loading induces new localized gap states around the Fermi level. Moreover, the introduction of dopant states in the gap region owing to Ag doping can be convenient to shift the absorption edge of pristine TiO2 through visible light.

scholarly journals Metal-induced gap states at insulator/metal interfaces

2004 ◽  
Vol 2 ◽  
pp. 191-199 ◽  
Author(s):  
Manabu Kiguchi ◽  
Koichiro Saiki
Keyword(s):  
Metal Interfaces ◽  
Gap States

Chemisorption-induced gap states at organic–metal interfaces: benzenethiol and benzeneselenol on metal surfaces

2012 ◽  
Vol 14 (12) ◽  
pp. 4101 ◽  
Author(s):  
Masaru Aoki ◽  
Toyohiro Kamada ◽  
Keita Sasaki ◽  
Shigeru Masuda ◽  
Yoshitada Morikawa
Keyword(s):  
Metal Surfaces ◽  
Organic Metal ◽  
Metal Interfaces ◽  
Gap States

Electronic properties of nascent GaP(110)–noble-metal interfaces

1990 ◽  
Vol 42 (5) ◽  
pp. 2982-2995 ◽  
Author(s):  
R. Ludeke ◽  
A. B. McLean ◽  
A. Taleb-Ibrahimi
Keyword(s):  
Electronic Properties ◽  
Noble Metal ◽  
Metal Interfaces

Surface site coordination dependent responses resolved in free clusters: applications for neutral sub-nanometer cluster studies

2015 ◽  
Vol 17 (10) ◽  
pp. 7012-7022 ◽  
Author(s):  
Lauri Hautala ◽  
Kari Jänkälä ◽  
Mikko-Heikki Mikkelä ◽  
Maxim Tchaplyguine ◽  
Marko Huttula
Keyword(s):  
Surface Structure ◽  
Electronic Properties ◽  
Alkali Halide ◽  
Photoelectron Spectra ◽  
Surface Site ◽  
Site Specific ◽  
Cluster Surface

Surface site coordination resolved photoelectron spectra of unsupported and neutral alkali halide clusters reveal site specific electronic properties and cluster surface structure.

Optical and electronic properties of amorphous SiNx:H alloy films

1985 ◽  
Vol 63 (6) ◽  
pp. 846-851 ◽  
Author(s):  
T. V. Herak ◽  
R. D. McLeod ◽  
M. G. Collett ◽  
K. C. Kao ◽  
H. C. Card ◽  
...  
Keyword(s):  
Nitrogen Content ◽  
Electronic Properties ◽  
Optical Excitation ◽  
Dark Conductivity ◽  
Dangling Bond ◽  
Alloy Films ◽  
Optical And Electronic Properties ◽  
Rf Glow Discharge ◽  
Gap States ◽  
Induced Changes

The optical and electronic properties of a-SiNx:H alloy films fabricated by rf glow discharge have been measured for 0 ≤ x ≤ 0.6. The material is dispersive over the range of photon energies 0.5 ≤ hv ≤ 3.5 eV. The optical gap is about 1.65 eV and is practically independent of x for 0.1 < x < 0.4, but it increases rapidly with increasing x for 0 < x < 0.1 and x > 0.4. For x > 0.6 the refractive index approaches the value for Si3N4. The dark conductivity, the photoconductivity, and the ratio of the photoconductivity to the dark conductivity are enhanced by nitrogen incorporation when appropriate nitrogen content is used. All the experimental results indicate that the incorporated nitrogen does not act as a dopant, but rather acts as a dangling-bond compensator. Photo-induced changes in both dark conductivity and photoconductivity due to high-intensity optical excitation have been observed. The degree of such changes decreases with increasing nitrogen content. This phenomenon is attributed to the photo-induced change in the microstructure of the films that leads to a change in both the density and the distribution of gap states.

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