scholarly journals Thermal Transport Evolution Due to Nanostructural Transformations in Ga-Doped Indium-Tin-Oxide Thin Films

Nanomaterials ◽  
2021 ◽  
Vol 11 (5) ◽  
pp. 1126
Author(s):  
Alexandr Cocemasov ◽  
Vladimir Brinzari ◽  
Do-Gyeom Jeong ◽  
Ghenadii Korotcenkov ◽  
Sergiu Vatavu ◽  
...  

We report on a comprehensive theoretical and experimental investigation of thermal conductivity in indium-tin-oxide (ITO) thin films with various Ga concentrations (0–30 at. %) deposited by spray pyrolysis technique. X-ray diffraction (XRD) and scanning electron microscopy have shown a structural transformation in the range 15–20 at. % Ga from the nanocrystalline to the amorphous phase. Room temperature femtosecond time domain thermoreflectance measurements showed nonlinear decrease of thermal conductivity in the range 2.0–0.5 Wm−1 K−1 depending on Ga doping level. It was found from a comparison between density functional theory calculations and XRD data that Ga atoms substitute In atoms in the ITO nanocrystals retaining Ia-3 space group symmetry. The calculated phonon dispersion relations revealed that Ga doping leads to the appearance of hybridized metal atom vibrations with avoided-crossing behavior. These hybridized vibrations possess shortened mean free paths and are the main reason behind the thermal conductivity drop in nanocrystalline phase. An evolution from propagative to diffusive phonon thermal transport in ITO:Ga with 15–20 at. % of Ga was established. The suppressed thermal conductivity of ITO:Ga thin films deposited by spray pyrolysis may be crucial for their thermoelectric applications.

2017 ◽  
Vol 728 ◽  
pp. 1338-1345 ◽  
Author(s):  
Lihua Zhang ◽  
Jianbo Lan ◽  
Jianyu Yang ◽  
Shenghui Guo ◽  
Jinhui Peng ◽  
...  

2017 ◽  
Vol 110 (7) ◽  
pp. 071904 ◽  
Author(s):  
Vladimir I. Brinzari ◽  
Alexandr I. Cocemasov ◽  
Denis L. Nika ◽  
Ghenadii S. Korotcenkov

Author(s):  
M.S. Ramyashree ◽  
K. Kumar ◽  
S. Shanmuga Priya ◽  
K. Sudhakar

The study focuses on the application of natural fruit extract of blackberry in dye-sensitised solar cells (DSSC) as a photosensitiser. The widespread availability of the fruits and juices, high concentration of anthocyanins in them ease of extraction of anthocyanin dyes from these commonly available fruits, enable them as a novel and inexpensive candidates for solar cell fabrication. Anthocyanins are naturally occurring biodegradable and non-toxic compounds that can be extracted with minimal environmental impact and provide environmentally benign alternatives for manufacturing dyes in DSSC synthesis. Indium tin oxide (ITO) thin films are synthesised using sol-gel and spin-coating techniques. ITO characteristics are determined by x-ray diffraction (XRD), scanning electron microscopy (SEM), and Fourier transforms infrared spectra (FTIR) measurements. To find the transmittance percentage in the visible region of thin films, atomic force microscope (AFM) and UV-Vis spectroscopy analyses were done. The nanocrystalline phase of the synthesised ITO films was confirmed through XRD. SEM was used to analyse the morphology of the synthesised ITO films. Cubic, columnar (edge length ~ 35-45 nm) and rod-shaped (~110 x 14) particles were observed. Narrow size distribution was observed for spherical particles in the range of ~13-15 nm. The FTIR analysis revealed the presence of carboxyl and hydroxide functional groups. The AFM analysis revealed the uniform spread of the synthesised dye, while the visible region absorbance and transmittance of the synthesised ITO films were confirmed through UV-vis spectroscopy. The thin films showed 83-86% of average transmittance. Finally, we fabricated a dye-sensitised solar cell with desired properties. The characterisation results confirmed that the synthesised material could be used in the DSSC application.


2011 ◽  
Vol 1329 ◽  
Author(s):  
Bo Qiu ◽  
Xiulin Ruan

ABSTRACTTwo-body interatomic potentials in the Morse potential form have been developed for bismuth telluride, and the potentials are used in molecular dynamics (MD) simulations to predict the thermal conductivity of Bi2Te3 bulk, nanowires and few-quintuple thin films. The density functional theory with local density approximations is first used to calculate the total energies for many artificially distorted Bi2Te3 configurations to produce the energy surface. Then by fitting to this energy surface and other experimental data, the Morse potential form is parameterized. Molecular dynamics simulations are then performed to predict the thermal conductivity of bulk Bi2Te3 at different temperatures, and the results agree with experimental data well. We also predicted the thermal conductivity of Bi2Te3 nanowires with diameter ranging from 3 to 30 nm with both smooth (SMNW) and rough (STNW) surfaces. It is found that when the nanowire diameter decreases to the molecular scale (below 10 nm, or the so called "quantum wire"), the thermal conductivity shows significant reduction as compared to bulk value. We find the dimensional crossover behavior of thermal transport in few quintuple layer (QL) thin films at room temperature, and we attribute it to the interplay between phonon Umklapp scattering and boundary scattering. Also, nanoporous films show significantly reduced thermal conductivity compared to perfect thin films, indicating that they can be very promising thermoelectric materials.


Author(s):  
David H. Olson ◽  
Christina M. Rost ◽  
John T. Gaskins ◽  
Chester J. Szwejkowski ◽  
Jeffrey L. Braun ◽  
...  

2021 ◽  
pp. 138731
Author(s):  
Bert Scheffel ◽  
Olaf Zywitzki ◽  
Thomas Preußner ◽  
Torsten Kopte

Crystals ◽  
2020 ◽  
Vol 11 (1) ◽  
pp. 30
Author(s):  
Xiaoyan Liu ◽  
Lei Wang ◽  
Yi Tong

First-principle density functional theory simulations have been performed to predict the electronic structures and optoelectronic properties of ultrathin indium tin oxide (ITO) films, having different thicknesses and temperatures. Our results and analysis led us to predict that the physical properties of ultrathin films of ITO have a direct relation with film thickness rather than temperature. Moreover, we found that a thin film of ITO (1 nm thickness) has a larger absorption coefficient, lower reflectivity, and higher transmittance in the visible light region compared with that of 2 and 3 nm thick ITO films. We suggest that this might be due to the stronger surface strain effect in 1 nm thick ITO film. On the other hand, all three thin films produce similar optical spectra. Finally, excellent agreement was found between the calculated electrical resistivities of the ultrathin film of ITO and that of its experimental data. It is concluded that the electrical resistivities reduce along with the increase in film thickness of ITO because of the short strain length and limited bandgap distributions.


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