SAKTI LAB

Molecular Simulation Laboratory

Surface Reaction Simulation based on Divide-and-Conquer Type Density Functional Tight-Binding Molecular Dynamics (DC-DFTB-MD) Method : Case for Proton Diffusion on Pt(111) Surface


Journal article


H. Nakai, Y. Nishimura, A. W. Sakti, Tanabat Mudchimo, Chien‐Pin Chou
Vacuum and Surface Science, 2019

Semantic Scholar DOI
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APA   Click to copy
Nakai, H., Nishimura, Y., Sakti, A. W., Mudchimo, T., & Chou, C. P. (2019). Surface Reaction Simulation based on Divide-and-Conquer Type Density Functional Tight-Binding Molecular Dynamics (DC-DFTB-MD) Method : Case for Proton Diffusion on Pt(111) Surface. Vacuum and Surface Science.


Chicago/Turabian   Click to copy
Nakai, H., Y. Nishimura, A. W. Sakti, Tanabat Mudchimo, and Chien‐Pin Chou. “Surface Reaction Simulation Based on Divide-and-Conquer Type Density Functional Tight-Binding Molecular Dynamics (DC-DFTB-MD) Method : Case for Proton Diffusion on Pt(111) Surface.” Vacuum and Surface Science (2019).


MLA   Click to copy
Nakai, H., et al. “Surface Reaction Simulation Based on Divide-and-Conquer Type Density Functional Tight-Binding Molecular Dynamics (DC-DFTB-MD) Method : Case for Proton Diffusion on Pt(111) Surface.” Vacuum and Surface Science, 2019.


BibTeX   Click to copy

@article{h2019a,
  title = {Surface Reaction Simulation based on Divide-and-Conquer Type Density Functional Tight-Binding Molecular Dynamics (DC-DFTB-MD) Method : Case for Proton Diffusion on Pt(111) Surface},
  year = {2019},
  journal = {Vacuum and Surface Science},
  author = {Nakai, H. and Nishimura, Y. and Sakti, A. W. and Mudchimo, Tanabat and Chou, Chien‐Pin}
}


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