Thermodynamic Study of Adsorption Capacity between Metal Film and Optical Crystal: Adsorption Energy of Ni Films on LiNbO3 Substrates
Abstract
:1. Introduction
2. Model Building and Simulation Method
3. Results and Discussion
4. Conclusions
Author Contributions
Funding
Data Availability Statement
Conflicts of Interest
References
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Atom | x (Å) | y (Å) | z (Å) |
---|---|---|---|
Li | 0 | 0 | 0.2815 |
Nb | 0 | 0 | 0.000055 |
O | 0.0489 | 0.3438 | 0.06342 |
Parameters | a (Å) | c (Å) | α | γ | V (Å3) |
---|---|---|---|---|---|
Initial | 5.1516 | 13.869 | 90° | 120° | 318.757 |
Optimized | 5.19209 | 14.0134 | 90° | 120° | 327.159 |
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Xu, Y.; Lu, F.; Liu, K.; Ma, C. Thermodynamic Study of Adsorption Capacity between Metal Film and Optical Crystal: Adsorption Energy of Ni Films on LiNbO3 Substrates. Crystals 2021, 11, 1273. https://doi.org/10.3390/cryst11111273
Xu Y, Lu F, Liu K, Ma C. Thermodynamic Study of Adsorption Capacity between Metal Film and Optical Crystal: Adsorption Energy of Ni Films on LiNbO3 Substrates. Crystals. 2021; 11(11):1273. https://doi.org/10.3390/cryst11111273
Chicago/Turabian StyleXu, Yuhang, Fei Lu, Kaijing Liu, and Changdong Ma. 2021. "Thermodynamic Study of Adsorption Capacity between Metal Film and Optical Crystal: Adsorption Energy of Ni Films on LiNbO3 Substrates" Crystals 11, no. 11: 1273. https://doi.org/10.3390/cryst11111273