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Author:

Ali, S. (Ali, S..) | Wang, X. (Wang, X..) | Khan, M. (Khan, M..) | Ibrahim, N.A. (Ibrahim, N.A..) | Badher, N.S. (Badher, N.S..) | Aleissa, M.S. (Aleissa, M.S..) | Eisa, M.H. (Eisa, M.H..) | Veettil, V.N. (Veettil, V.N..)

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EI Scopus SCIE

Abstract:

This article presents a comprehensive and innovative investigation into the influence of vacuum thickness on the electronic, optical, and thermodynamic properties of two-dimensional (2D) Ta₂C MXene using advanced first-principles simulations. As MXenes emerge as front-runners in various high-impact industrial applications, understanding the nuances of their properties is paramount. Our findings reveal that vacuum thickness significantly affects the electronic characteristics of Ta₂C MXene. Additionally, our detailed analysis of optical properties including dielectric function, reflectivity, refractive index, and extinction coefficient demonstrates a consistent enhancement in these parameters with increasing vacuum thickness, underscoring the tunability of Ta₂C MXene for specific optical applications. Furthermore, variations in vacuum thickness leads to significant changes in thermodynamic properties under different temperature conditions. This research not only deepens our understanding of Ta₂C MXene but also provides pivotal insights for the development of next-generation technologies, solidifying the role of vacuum engineering in optimizing MXene-based materials for energy storage devices. © 2025 Elsevier Ltd

Keyword:

Optical properties Electronic properties Thermodynamic properties DFT calculation Vacuum thickness Ta2C MXene

Author Community:

  • [ 1 ] [Ali S.]College of Mechanical and Energy Engineering, Beijing University of Technology, Beijing, 100124, China
  • [ 2 ] [Wang X.]College of Mechanical and Energy Engineering, Beijing University of Technology, Beijing, 100124, China
  • [ 3 ] [Khan M.]College of Civil and Transportation Engineering, Shenzhen University, 3688 Nanhai Avenue, Guangdong Province, Shenzhen, 518060, China
  • [ 4 ] [Ibrahim N.A.]Department of Biology, College of Science, Imam Mohammad Ibn Saud Islamic University (IMSIU), Riyadh, 13318, Saudi Arabia
  • [ 5 ] [Badher N.S.]Department of Biology, College of Science, Imam Mohammad Ibn Saud Islamic University (IMSIU), Riyadh, 13318, Saudi Arabia
  • [ 6 ] [Aleissa M.S.]Department of Biology, College of Science, Imam Mohammad Ibn Saud Islamic University (IMSIU), Riyadh, 13318, Saudi Arabia
  • [ 7 ] [Eisa M.H.]Department of Physics, College of Science, Imam Mohammad Ibn Saud Islamic University (IMSIU), Riyadh, 13318, Saudi Arabia
  • [ 8 ] [Veettil V.N.]Department of Microbiology, MHES College of Sciences and Technology, Affiliated to the University of Calicut, Kerala, Calicut, India

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Source :

Materials Science in Semiconductor Processing

ISSN: 1369-8001

Year: 2025

Volume: 191

4 . 1 0 0

JCR@2022

Cited Count:

WoS CC Cited Count:

SCOPUS Cited Count:

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 9

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