A theoretical model for estimation of work function reduction for MXenes with hydroxyl termination
DOI:
https://doi.org/10.15330/pcss.24.1.102-105Keywords:
MXenes, work function, surface termination, hydroxy groupAbstract
This article presents a simple model that explains significant reduction of work function in MXenes Тіn+1Сn with hydroxyl termination and demonstrates matching results to ones in the existing literature, obtained via complex computing based on the first principles. This model can be applied for results evaluation of the hydroxyfunctionalization of various MXene types, due to prospects of the creation of novice emission electronics devices.
References
[1]. M. Naguib, M. Kurtoglu, V. Presser, J. Lu, J. Niu, M. Heon, L. Hultman, Y. Gogotsi, M. W Barsoum. Two-dimensional nanocrystals produced by exfoliation of Ti3AlC2. Advanced Materials 23 (37): 4248–4253 (2011).
[2]. M. D. Firouzjaei, M. Karimiziarani, H. Moradkhani, M. Elliott, B. Anasori. MXenes: The two-dimensional influencers. Materials Today Advances 13: 100202 (2022).
[3]. X. Jiang, A. V. Kuklin, A. Baev, Y. Ge, H. Ågren, H. Zhang, P. N. Prasad. Two-dimensional MXenes: From morphological to optical, electric, and magnetic properties and applications. Physics Reports 848: 1–58 (2020).
[4]. N. D. Lang and W. Kohn, Theory of metal surfaces: Work function, Phys. Rev. B 3: 1215 (1971).
[5]. M.G. Nakhodkin, M.I. Fedorchenko. Interaction of oxygen and gadolinium with Si (100)-2 × 1. Formation of a system with an output function of 1 eV. Ukrainian journal of physics, 60: 97-103 (2015).
[6]. T.V. Afanasieva, A.G. Fedorus, A.M. Goriachko et al. Mesoscopic self-ordering in oxygen doped Ce films adsorbed on Mo (112). Surface Science, 705: 121766 (2021).
[7]. M. Khazaei, M. Arai, T. Sasaki, A. Ranjbar, Y. Liang, and S. Yunoki. OH-terminated two-dimensional transition metal carbides and nitrides as ultralow work function materials. Phys. Rev. B 92: 075411 (2015).
[8]. T. C. Leung, C. L. Kao, W. S. Su, Y. J. Feng, and C. T. Chan. Relationship between surface dipole, work function and charge transfer: Some exceptions to an established rule. Phys. Rev. B 68, 195408 (2003).
[9]. M.V. Strikha, A.M. Goryachko. A theoretical model to describe the reduction of work function of a semiconductor/dielectric under the influence of a surface double charged layer. Sensor electronics and microsystem technologies. 19, No. 3: 23-29 (2022).
[2]. M. D. Firouzjaei, M. Karimiziarani, H. Moradkhani, M. Elliott, B. Anasori. MXenes: The two-dimensional influencers. Materials Today Advances 13: 100202 (2022).
[3]. X. Jiang, A. V. Kuklin, A. Baev, Y. Ge, H. Ågren, H. Zhang, P. N. Prasad. Two-dimensional MXenes: From morphological to optical, electric, and magnetic properties and applications. Physics Reports 848: 1–58 (2020).
[4]. N. D. Lang and W. Kohn, Theory of metal surfaces: Work function, Phys. Rev. B 3: 1215 (1971).
[5]. M.G. Nakhodkin, M.I. Fedorchenko. Interaction of oxygen and gadolinium with Si (100)-2 × 1. Formation of a system with an output function of 1 eV. Ukrainian journal of physics, 60: 97-103 (2015).
[6]. T.V. Afanasieva, A.G. Fedorus, A.M. Goriachko et al. Mesoscopic self-ordering in oxygen doped Ce films adsorbed on Mo (112). Surface Science, 705: 121766 (2021).
[7]. M. Khazaei, M. Arai, T. Sasaki, A. Ranjbar, Y. Liang, and S. Yunoki. OH-terminated two-dimensional transition metal carbides and nitrides as ultralow work function materials. Phys. Rev. B 92: 075411 (2015).
[8]. T. C. Leung, C. L. Kao, W. S. Su, Y. J. Feng, and C. T. Chan. Relationship between surface dipole, work function and charge transfer: Some exceptions to an established rule. Phys. Rev. B 68, 195408 (2003).
[9]. M.V. Strikha, A.M. Goryachko. A theoretical model to describe the reduction of work function of a semiconductor/dielectric under the influence of a surface double charged layer. Sensor electronics and microsystem technologies. 19, No. 3: 23-29 (2022).
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Published
2023-03-12
How to Cite
Strikha, M. V., & Antoniuk, D. V. (2023). A theoretical model for estimation of work function reduction for MXenes with hydroxyl termination. Physics and Chemistry of Solid State, 24(1), 102–105. https://doi.org/10.15330/pcss.24.1.102-105
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Scientific articles (Physics)
