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Platinum Adsorption and Diffusion on Two-Dimensional Gallium Nitride

Year 2018, Volume: 22 Issue: 2, 393 - 396, 15.08.2018
https://doi.org/10.19113/sdufbed.56851

Abstract

In this study, we examined the adsorption and diffusion of platinum (Pt) adatom on two-dimensional hexagonal gallium nitride (h-GaN), by using first-principles plane-wave calculations. Two different levels of platinum coverage ratio (θ=1/8 and θ=1/32) were considered and the changes in the electronic structure for high-level platinum coverage ratio (θ=1/8) were examined. Low-level coverage ratio (θ=1/32) is used to calculate the diffusion barrier energy of Pt adatom on GaN monolayer. Our theoretical calculations have shown that Pt atom strongly binds on the top of nitrogen atoms in GaN monolayer and high energy is required for its diffusion. While GaN monolayer has 2.1 eV indirect band gap (Γ→K), this band gap reduces to 1.3 eV with Pt adsorption. These results may lead to further investigations on forming Pt nanoparticles or Pt coating on GaN sheet.

References

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  • [10] Lin, S., Ye, X., Johnson, R. S., Guo, H. 2013. First-Principles Investigations of Metal (Cu, Ag, Au, Pt, Rh, Pd, Fe, Co, and Ir) Doped Hexagonal Boron Nitride Nanosheets: Stability and Catalysis of CO Oxidation. J. Phys. Chem. C 117(2013), 17319-17326.
  • [11] Lian, X., Guo, W., Liu, F., Yang, Y., Xiao, P., Zhang, Y., Tian, W. 2015. DFT Studies on Pt3M (M = Pt, Ni, Mo, Ru, Pd, Rh) Clusters for CO Oxidation. Comput. Mater. Sci. 96(2015), 237-245.
  • [12] Lee, D. S., Lee, J. H., Lee, Y. H., Lee, D. D. 2003. GaN Thin Films as Gas Sensors. Sensors and Actuators B: Chemical 89(2003), 305-310.
  • [13] Duan, B. K., Bohn, P. W. 2010. High Sensitivity Hydrogen Sensing with Pt-Decorated Porous Gallium Nitride Prepared by Metal-Assisted Electroless Etching. Analyst, 135(2010), 902-907.
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  • [16] Monkhorst, H. J., Pack, J. D. 1976. Special Points for Brillouin-Zone Integrations. Phys. Rev. B 13(1976), 5188-5192.
  • [17] Broyden, C. G. 1970. The Convergence of a Class of Double-Rank Minimization Algorithms. IMA J. Appl. Math. 6(1970), 222-231.
  • [18] Peng, Q., Liang, C., Ji, W., De, S., 2013. Mechanical Properties of g-GaN: A First-Principles Study. Appl. Phys. A 113(2013), 483-490.
  • [19] Chen, Q., Hu, H., Chen, X., Wang, J. 2011. Tailoring Band Gap in GaN Sheet by Chemical Modification and Electric Field: Ab Initio Calculations. Appl. Phys. Lett. 98(2011), 053102.
  • [20] Zywietz, T. K., Neugebauer, J., Scheffler, M. 1999. The Adsorption of Oxygen at GaN Surfaces. Appl. Phys. Lett., 74(1999), 12.
  • [21] Balushi, Z.Y.A., Wang, K., Ghosh, R.K. 2016. Two-dimensional Gallium Nitride Realized via Graphene Encapsulated. Nature Matter. 15(2016), 1166-1171.
Year 2018, Volume: 22 Issue: 2, 393 - 396, 15.08.2018
https://doi.org/10.19113/sdufbed.56851

Abstract

References

  • [1] Flores, R. G., Contreras, N. H., Martinez, L. A., Powell, R. C., Greene, J. E. 1994. Temperature-Dependent Optical Band Gap of the Metastable Zinc-Blende Structure β-GaN. Phys. Rev.B 50(1994), 8433.
  • [2] Magnuson, M., Mattesini, M., Höglund, C., Birch, J., Hultman, L. 2010. Electronic Structure of GaN and Ga Investigated by Soft X-ray Spectroscopy and First-Principles Methods. Phys. Rev. B 81(2010), 085125.
  • [3] Lester, S. D., Ponce, F. A., Craford, M. G., Steigerwald, D. A. 1995. High Dislocation Densities in High-Efficiency GaN-Based Light-Emitting Diodes. Appl. Phys. Lett. 66(1995), 1249.
  • [4] Eastman, L., Tilak, V., Smart, J. A., Green, B. M., Chu, K. K., Dimitrov, R., Kim, H., Prunty, T., Ambacher, O., Weimann, N., Shealy, J. R. 2001. Undoped AlGaN/GaN HEMTs for Microwave Power Amplification. IEEE Trans. Electron. Devices 48(2001), 479.
  • [5] Schäfer, S., Wyrzgol, S. A., Caterino, R., Jentys, A., Schoell, S. J., Hävecker, M., Gericke, A. K., Lercher, J. A., Sharp, I. D., Stutzmann, M. 2012. Platinum Nanoparticles on Gallium Nitride Surfaces: Effect of Semiconductor Doping on Nanoparticle Reactivity. J. Am. Chem. Soc., 134(2012), 12528-12535.
  • [6] Tilak, V., Matocha, K., Sandvik, P. 2006. Novel GaN and SiC Based Gas Sensors. Phys. Stat. Sol. (c) 3(2006), 548-553.
  • [7] Luther, B. P., Wolter, S. D., Mohney, S. E. 1999. High-Temperature Pt Schottky Diode Gas Sensors on n-type GaN. Sensors and Actuators B 56(1999), 164-168.
  • [8] Schalwig, J., Muller, G., Eickhoff, M., Ambacher, O., Stutzmann, M. 2002. Group III-Nitride-Based Gas Sensors for Combustion Monitoring. Materials Science and Engineering: B 93(2002), 207.
  • [9] Yun, F., Chevtchenko, S., Moon, Y. T., Morkoç, H. 2005. GaN resistive hydrogen gas sensors. Appl. Phys. Lett. 87(2005), 073507.
  • [10] Lin, S., Ye, X., Johnson, R. S., Guo, H. 2013. First-Principles Investigations of Metal (Cu, Ag, Au, Pt, Rh, Pd, Fe, Co, and Ir) Doped Hexagonal Boron Nitride Nanosheets: Stability and Catalysis of CO Oxidation. J. Phys. Chem. C 117(2013), 17319-17326.
  • [11] Lian, X., Guo, W., Liu, F., Yang, Y., Xiao, P., Zhang, Y., Tian, W. 2015. DFT Studies on Pt3M (M = Pt, Ni, Mo, Ru, Pd, Rh) Clusters for CO Oxidation. Comput. Mater. Sci. 96(2015), 237-245.
  • [12] Lee, D. S., Lee, J. H., Lee, Y. H., Lee, D. D. 2003. GaN Thin Films as Gas Sensors. Sensors and Actuators B: Chemical 89(2003), 305-310.
  • [13] Duan, B. K., Bohn, P. W. 2010. High Sensitivity Hydrogen Sensing with Pt-Decorated Porous Gallium Nitride Prepared by Metal-Assisted Electroless Etching. Analyst, 135(2010), 902-907.
  • [14] Perdew, J. P., Burke, K., Ernzerhof, M. 1996. Generalized Gradient Approximation Made Simple. Phys. Rev. Lett. 77(1996), 3865-3868.
  • [15] Giannozzi, P., Baroni, S., Bonini, N., Calandra, M., Car, R., Cavazzoni, C., Ceresoli, D., Chiarotti, G. L., Cococcioni, M., Dabo, I., et al. 2009. QUANTUM ESPRESSO: A Modular and Open-Source Software Project for Quantum Simulations of Materials. J. Phys.: Condens. Matter 21(2009), 395502.
  • [16] Monkhorst, H. J., Pack, J. D. 1976. Special Points for Brillouin-Zone Integrations. Phys. Rev. B 13(1976), 5188-5192.
  • [17] Broyden, C. G. 1970. The Convergence of a Class of Double-Rank Minimization Algorithms. IMA J. Appl. Math. 6(1970), 222-231.
  • [18] Peng, Q., Liang, C., Ji, W., De, S., 2013. Mechanical Properties of g-GaN: A First-Principles Study. Appl. Phys. A 113(2013), 483-490.
  • [19] Chen, Q., Hu, H., Chen, X., Wang, J. 2011. Tailoring Band Gap in GaN Sheet by Chemical Modification and Electric Field: Ab Initio Calculations. Appl. Phys. Lett. 98(2011), 053102.
  • [20] Zywietz, T. K., Neugebauer, J., Scheffler, M. 1999. The Adsorption of Oxygen at GaN Surfaces. Appl. Phys. Lett., 74(1999), 12.
  • [21] Balushi, Z.Y.A., Wang, K., Ghosh, R.K. 2016. Two-dimensional Gallium Nitride Realized via Graphene Encapsulated. Nature Matter. 15(2016), 1166-1171.
There are 21 citations in total.

Details

Journal Section Articles
Authors

Fatih Ersan

Publication Date August 15, 2018
Published in Issue Year 2018 Volume: 22 Issue: 2

Cite

APA Ersan, F. (2018). Platinum Adsorption and Diffusion on Two-Dimensional Gallium Nitride. Süleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi, 22(2), 393-396. https://doi.org/10.19113/sdufbed.56851
AMA Ersan F. Platinum Adsorption and Diffusion on Two-Dimensional Gallium Nitride. J. Nat. Appl. Sci. August 2018;22(2):393-396. doi:10.19113/sdufbed.56851
Chicago Ersan, Fatih. “Platinum Adsorption and Diffusion on Two-Dimensional Gallium Nitride”. Süleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi 22, no. 2 (August 2018): 393-96. https://doi.org/10.19113/sdufbed.56851.
EndNote Ersan F (August 1, 2018) Platinum Adsorption and Diffusion on Two-Dimensional Gallium Nitride. Süleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi 22 2 393–396.
IEEE F. Ersan, “Platinum Adsorption and Diffusion on Two-Dimensional Gallium Nitride”, J. Nat. Appl. Sci., vol. 22, no. 2, pp. 393–396, 2018, doi: 10.19113/sdufbed.56851.
ISNAD Ersan, Fatih. “Platinum Adsorption and Diffusion on Two-Dimensional Gallium Nitride”. Süleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi 22/2 (August 2018), 393-396. https://doi.org/10.19113/sdufbed.56851.
JAMA Ersan F. Platinum Adsorption and Diffusion on Two-Dimensional Gallium Nitride. J. Nat. Appl. Sci. 2018;22:393–396.
MLA Ersan, Fatih. “Platinum Adsorption and Diffusion on Two-Dimensional Gallium Nitride”. Süleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi, vol. 22, no. 2, 2018, pp. 393-6, doi:10.19113/sdufbed.56851.
Vancouver Ersan F. Platinum Adsorption and Diffusion on Two-Dimensional Gallium Nitride. J. Nat. Appl. Sci. 2018;22(2):393-6.

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