scholarly journals USING OF ATOMIC LAYER DEPOSITION METHOD FOR OBTAINING THIN FILMS BASED ON LiMn2O4 AND LiFePO4

2020 ◽  
Vol 63 (9) ◽  
pp. 77-81
Author(s):  
Oksana Yu. Gants ◽  
Vladimir M. Kashkin ◽  
Angelina D. Yudina ◽  
Valentina O. Zhirnova ◽  
Anna S. Timonina ◽  
...  
Keyword(s):  
Thin Films ◽  
Phase Composition ◽  
Atomic Layer Deposition ◽  
Substrate Surface ◽  
Atomic Layer ◽  
Layer Growth ◽  
Process Temperature ◽  
Optimal Time ◽  
Influence Of Process Parameters ◽  
Layer Deposition

An approach to the synthesis of LiFePO4 and LiMn2O4 by atomic layer deposition is proposed and successfully implemented. The main regularities of the process are revealed and the method of synthesis realization is proposed. The following reagents were proposed and used: 2,2,6,6-tetramethylheptan-3,5 - dione of manganese, oxygen, iron (II) chloride, trimethyl phosphate, water and lithium tret-butylate. Nitrogen was used as an inert gas for purging the reactor and as a carrier gas. The influence of process parameters on the synthesis of thin films based on LiFePO4 and LiMn2O4 is described. It has been established that the phase composition of the resulting films is influenced by the time of precursor release and the process temperature. It is concluded that the increase in process temperature has a positive effect on the density of thin films of LiFePO4 and LiMn2O4. The optimum deposition temperature of LiFePO4 and LiMn2O4 is 400 ºC. It was shown that it is possible to regulate the content of each element and phase composition in films based on LiFePO4 and LiMn2O4 by changing the time of precursors release. The optimal time for the release of precursors for the synthesis of LiFePO4 and LiMn2O4 is 4 s under the stated conditions. Of great importance is the time of release of oxidizing agents-4 and 6 s for the deposition of LiFePO4 and LiMn2O4, respectively. The correlation of the layer growth rate per cycle was revealed, which was 0.2 nm/cycle for the synthesis of LiFePO4. The film obtained in the process is X-ray amorphous. To obtain the crystal structure, the films were annealed in argon at a temperature of 800 ºC. The mechanism of interaction of precursors with the substrate surface is studied. The influence of substrate activation on the uniformity of film growth is revealed.

scholarly journals Adsorption of Titanium Halides on Nitride and Oxide Surfaces during Atomic Layer Deposition: A DFT Study

Coatings ◽  
2020 ◽  
Vol 10 (8) ◽  
pp. 712
Author(s):  
Jeongwoo Park ◽  
Neung Kyung Yu ◽  
Donghak Jang ◽  
Eunae Jung ◽  
Hyunsik Noh ◽  
...  
Keyword(s):  
Thin Films ◽  
Atomic Layer Deposition ◽  
Functional Groups ◽  
Density Functional ◽  
Substrate Surface ◽  
Atomic Layer ◽  
Dissociative Adsorption ◽  
Reaction Rate Constant ◽  
Dft Study ◽  
Layer Deposition

Various processes based on atomic layer deposition (ALD) have been reported for growing Ti-based thin films such as TiN and TiO2. To improve the uniformity and conformity of thin films grown via ALD, fundamental understanding of the precursor–substrate surface reactions is required. Herein, we present a density functional theory (DFT) study of the initial nucleation process of some titanium halide precursors (TiCl4, TiBr4, and TiI4) on Si surfaces having –OH or –NH2 functional groups. We consider the most favorable adsorption site in the reaction between the precursor and functional group of the surface, based on the thermodynamics and kinetics of the reaction. Sequential dissociation reaction mechanisms of halide ligands were systematically investigated. The exothermicity of the dissociative adsorption was found to be in the order of: TiI4 > TiBr4 > TiCl4. In addition, the precursors were observed to be more exothermic and show higher reaction rate constant when adsorbed on the –OH–terminated surface than on the –NH2–terminated surface. These observations reveal the selectivity of deposition by surface functional groups.

Influence of process parameters on atomic layer deposition of ZrO2 thin films from CpZr(NMe2)3 and H2O

2014 ◽  
Vol 565 ◽  
pp. 37-44 ◽  
Author(s):  
Lauri Aarik ◽  
Harry Alles ◽  
Aleks Aidla ◽  
Tauno Kahro ◽  
Kaupo Kukli ◽  
...  
Keyword(s):  
Thin Films ◽  
Atomic Layer Deposition ◽  
Process Parameters ◽  
Atomic Layer ◽  
Influence Of Process Parameters ◽  
Layer Deposition

scholarly journals Low-temperature atomic layer deposition of crystalline manganese oxide thin films

2016 ◽  
Vol 45 (46) ◽  
pp. 18737-18741 ◽  
Author(s):  
Hua Jin ◽  
Dirk Hagen ◽  
Maarit Karppinen
Keyword(s):  
Thin Films ◽  
Phase Composition ◽  
Low Temperature ◽  
Atomic Layer Deposition ◽  
Manganese Oxide ◽  
Deposition Temperature ◽  
Atomic Layer ◽  
Oxide Thin Films ◽  
Layer Deposition

We present a new low-temperature atomic layer deposition (ALD) process based on Mn2(CO)10and ozone as precursors to fabricate crystalline α-Mn2O3and Mn3O4thin films; the phase composition is controlled by the deposition temperature such that the former phase forms in the range 60–100 °C and the latter in the range 120–160 °C.

scholarly journals Atomistic Simulations of Plasma-Enhanced Atomic Layer Deposition

Materials ◽  
2019 ◽  
Vol 12 (16) ◽  
pp. 2605 ◽  
Author(s):  
Becker ◽  
Sierka
Keyword(s):  
Thin Films ◽  
Monte Carlo ◽  
Atomic Layer Deposition ◽  
Atomic Layer ◽  
Layer Growth ◽  
Layer By Layer ◽  
Surface Oxygen ◽  
Structure Relaxation ◽  
Layer Deposition ◽  
Deposition Step

Plasma-enhanced atomic layer deposition (PEALD) is a widely used, powerful layer-by-layer coating technology. Here, we present an atomistic simulation scheme for PEALD processes, combining the Monte Carlo deposition algorithm and structure relaxation using molecular dynamics. In contrast to previous implementations, our approach employs a real, atomistic model of the precursor. This allows us to account for steric hindrance and overlap restrictions at the surface corresponding to the real precursor deposition step. In addition, our scheme takes various process parameters into account, employing predefined probabilities for precursor products at each Monte Carlo deposition step. The new simulation protocol was applied to investigate PEALD synthesis of SiO2 thin films using the bis-diethylaminosilane precursor. It revealed that increasing the probability for precursor binding to one surface oxygen atom favors amorphous layer growth, a large number of –OH impurities, and the formation of voids. In contrast, a higher probability for precursor binding to two surface oxygen atoms leads to dense SiO2 film growth and a reduction of –OH impurities. Increasing the probability for the formation of doubly bonded precursor sites is therefore the key factor for the formation of dense SiO2 PEALD thin films with reduced amounts of voids and –OH impurities.

Depositing High-Performance Conductive Thin Films by Using Atomic Layer Deposition

2015 ◽  
Vol 764-765 ◽  
pp. 138-142 ◽  
Author(s):  
Fa Ta Tsai ◽  
Hsi Ting Hou ◽  
Ching Kong Chao ◽  
Rwei Ching Chang
Keyword(s):  
Thin Films ◽  
Atomic Layer Deposition ◽  
High Performance ◽  
Atomic Layer ◽  
Electric Properties ◽  
X Ray Diffraction ◽  
Layer Deposition ◽  
Azo Thin Film ◽  
Aluminum Doped Zinc Oxide ◽  
Conductive Thin Films

This work characterizes the mechanical and opto-electric properties of Aluminum-doped zinc oxide (AZO) thin films deposited by atomic layer deposition (ALD), where various depositing temperature, 100, 125, 150, 175, and 200 °C are considered. The transmittance, microstructure, electric resistivity, adhesion, hardness, and Young’s modulus of the deposited thin films are tested by using spectrophotometer, X-ray diffraction, Hall effect analyzer, micro scratch, and nanoindentation, respectively. The results show that the AZO thin film deposited at 200 °C behaves the best electric properties, where its resistance, Carrier Concentration and mobility reach 4.3×10-4 Ωcm, 2.4×1020 cm-3, and 60.4 cm2V-1s-1, respectively. Furthermore, microstructure of the AZO films deposited by ALD is much better than those deposited by sputtering.

scholarly journals Fabrication of GdxFeyOz films using an atomic layer deposition-type approach

CrystEngComm ◽  
2021 ◽  
Author(s):  
Pengmei Yu ◽  
Sebastian M. J. Beer ◽  
Anjana Devi ◽  
Mariona Coll
Keyword(s):  
Thin Films ◽  
Atomic Layer Deposition ◽  
Atomic Layer ◽  
Complex Oxide ◽  
Oxide Thin Films ◽  
Layer Deposition ◽  
Atomic Precision

The growth of complex oxide thin films with atomic precision offers bright prospects to study improved properties and novel functionalities.

Inherently Area‐Selective Atomic Layer Deposition of SiO 2 Thin Films to Confer Oxide Versus Nitride Selectivity

2021 ◽  
pp. 2102556
Author(s):  
Jinseon Lee ◽  
Jeong‐Min Lee ◽  
Hongjun Oh ◽  
Changhan Kim ◽  
Jiseong Kim ◽  
...  
Keyword(s):  
Thin Films ◽  
Atomic Layer Deposition ◽  
Atomic Layer ◽  
Layer Deposition
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