ISSN: 2320-2459

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Evaluation of MoO₂Cl₂ Vapor Pressure and its Surface Reactions: Implications for Advanced Thin Film Deposition

Yeong-Cheol Kim*

Department of Energy Materials and Chemical Engineering, Korea University of Technology and Education, Cheonan, South Korea

*Corresponding Author:
Yeong-Cheol Kim
Department of Energy Materials and Chemical Engineering, Korea University of Technology and Education, Cheonan, South Korea
Email:
mayur.bhatt@insightfulawareness.org

Received: 08-Oct-2024, Manuscript No. JPAP-24-149785; Editor assigned: 10-Oct-2024, PreQC No. JPAP-24-149785 (PQ); Reviewed: 24- Oct-2024, QC No. JPAP-24-149785; Revised: 31-Oct-2024, Manuscript No. JPAP-24-149785 (R) Published: 07-Nov-2024, DOI: 10.4172/2320-2459.12.03.002. 

Citation: Kim YC. Comprehensive Evaluation of MoO.Cl. Vapor Pressure and its Surface Reactions: Implications for Advanced Thin Film Deposition. Res Rev J Pure Appl Phys. 2024;12:002.

Copyright: © 2024, Kim YC. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution and reproduction in any medium, provided the original author and source are credited.

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Abstract

This study evaluates the vapor pressure of molybdenum dioxide chloride (MoO2Cl2) and its initial surface reactions on SiO2 using ab initio thermodynamics. The high vapor pressure of MoO2Cl2 makes it an attractive precursor for thin-film deposition techniques such as Chemical Vapor Deposition (CVD) and Atomic Layer Deposition (ALD). Gibbs free energy was used to calculate vapor pressure and surface reactions were analyzed in five stages: Gas-phase, physisorption, transition to chemisorption, chemisorption and desorption. The findings revealed that MoO2Cl2 has a vapor pressure of 8.2 torr at 350 K, aligning with experimental data and demonstrated an activation energy barrier of 0.8 eV for the chemisorption process. These results suggest that MoO2Cl2 can serve as a superior precursor to replace traditional materials like tungsten in next-generation semiconductor applications, particularly for 3D Not AND (NAND) flash memory. The use of ab initio thermodynamics facilitates accurate prediction of precursor behaviors, allowing for more efficient screening of potential candidates for deposition processes.

About the Study

The study titled evaluation of vapor pressure of MoO2Cl2 and its initial chemical reaction on a SiO2 surface by ab initio thermodynamic. It significant contributions to understanding the properties of MoO2Cl2 as a precursor for thin-film deposition techniques such as Chemical Vapor Deposition (CVD) and Atomic Layer Deposition (ALD) [1]. The research provides valuable insights into the thermodynamic behaviors of MoO2Cl2, specifically its vapor pressure and surface reactions, which are critical for optimizing its usage in next-generation semiconductor processes.

The study emphasizes the relevance of MoO2Cl2 for deposition processes due to its advantageous physical properties compared to other commonly used precursors, such as MoCl5. MoO2Cl2 demonstrates higher vapor pressure, which facilitates better transport into reaction chambers, leading to more efficient deposition processes. This characteristic is particularly beneficial for ALD, where precise control of precursor delivery is important for achieving uniform, high-quality films at the nanoscale [2]. The researchers calculated the vapor pressure of MoO2Cl2 using Gibbs free energy, considering factors like zero-point energy, enthalpy changes and entropy. The results showed a vapor pressure of 8.2 torr at 350 K, which is in good agreement with experimental values, validating the accuracy of the thermodynamic model used in the study [3].

In addition to vapor pressure calculations, the study analyzes the surface reactions between MoO2Cl2 and SiO2, a common material used in semiconductor devices [4]. The surface interaction of the precursor with SiO2 is critical for determining its suitability for creating stable, high-performance films. The research focuses on five key stages of surface reactions: Gas-phase, physisorption, transition to chemisorption, chemisorption and desorption. These stages provide a comprehensive understanding of how MoO2Cl2 interacts with the SiO2 surface during deposition processes. One significant finding from this analysis is the determination of the activation energy for the surface reaction between MoO2Cl2 and SiO2. This study reports an energy barrier of 0.8 eV for the chemisorption process, indicating that the reaction is feasible under typical deposition conditions. This energy barrier is comparable to that of other common precursors used in ALD, further demonstrating the viability of MoO2Cl2 for thin-film applications. The study also sheds light on the byproduct formation during the surface reaction. The dissociation of molybdenum and chlorine bonds (Mo-Cl) in MoO2Cl2 and the subsequent formation of HCI as a byproduct were observed, with the partial pressure of HCl increasing as the reaction progresses. This finding is essential for understanding the chemical dynamics at play during deposition and the potential implications for material performance and stability. The use of ab initio thermodynamics in this study allows for predictions of thermodynamic properties without relying on time-consuming experimental procedures.

Conclusion

By employing this computational approach, the researchers efficiently evaluated the vapor pressure and surface reaction energies of MoO2Cl2, providing valuable insights that can guide future experimental efforts. This method also allows for the screening of various potential precursors for deposition applications, enabling researchers to identify promising candidates more quickly and cost-effectively. As the demand for more efficient and high performance materials continues to grow in the semiconductor industry, computational studies like this one play a vital role in accelerating the development of next-generation materials.

References