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lang/en/docs/tutorials/materials/specific/passivation-surface-silicon-surface.md

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@@ -17,15 +17,15 @@ This tutorial demonstrates how to passivate a reconstructed silicon (100) surfac
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We will recreate the passivated surface structure shown in Fig. 8:
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![Si(100) H-Passivated Surface](/images/tutorials/materials/surfaces/si_100_passivation/0-figure-from-manuscript.webp "H-Passivated Silicon (100)")
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![Si(100) H-Passivated Surface](/images/tutorials/materials/passivation/passivation_surface_silicon/0-figure-from-manuscript.webp "H-Passivated Silicon (100)")
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## 1. Adjust Silicon Surface Structure
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### 1.1. Load Base Material
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Navigate to [Materials Designer](../../../materials-designer/overview.md) and import the reconstructed Si(100) surface from [Standata](../../../materials-designer/header-menu/input-output/standata-import.md).
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![Si(100) Structure](/images/tutorials/materials/surfaces/si_100_passivation/1-wave-original-material.webp "Si(100) Structure")
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![Si(100) Structure](/images/tutorials/materials/passivation/passivation_surface_silicon/1-wave-original-material.webp "Si(100) Structure")
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### 1.2. Launch JupyterLite Session
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material.set_coordinates(new_coordinates)
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```
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![Supercell Parameters](/images/tutorials/materials/surfaces/si_100_passivation/2-jl-setup-nb-adjust.webp "Supercell Parameters Visualization")
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![Supercell Parameters](/images/tutorials/materials/passivation/passivation_surface_silicon/2-jl-setup-nb-adjust.webp "Supercell Parameters Visualization")
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### 1.4. Run Structure Adjustment
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3. Create a supercell if specified in the parameters
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4. Visualize the adjusted structure
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![Adjusted Structure](/images/tutorials/materials/surfaces/si_100_passivation/3-wave-adjusted-material.webp "Adjusted Si(100) Structure")
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![Adjusted Structure](/images/tutorials/materials/passivation/passivation_surface_silicon/3-wave-adjusted-material.webp "Adjusted Si(100) Structure")
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## 2. Passivate the Surface
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- `SURFACE`: Passivate only the top surface.
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- `DEPTH`: How deep to look for surface atoms, set to include only top Si atoms.
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![Passivation Parameters](/images/tutorials/materials/surfaces/si_100_passivation/4-jl-setup-nb-passivation.webp "Passivation Parameters Visualization")
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![Passivation Parameters](/images/tutorials/materials/passivation/passivation_surface_silicon/4-jl-setup-nb-passivate.webp "Passivation Parameters Visualization")
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### 2.3. Run Passivation
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2. Add H atoms at the specified bond length
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3. Generate the passivated structure
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![Passivated Structure](/images/tutorials/materials/surfaces/si_100_passivation/5-jl-result-preview.webp "H-Passivated Si(100) Structure")
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![Passivated Structure](/images/tutorials/materials/passivation/passivation_surface_silicon/5-jl-result-preview.webp "H-Passivated Si(100) Structure")
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## 3. Analyze Results
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- Surface reconstruction is maintained
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- H atoms are properly placed above surface Si atoms
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![Final Structure](/images/tutorials/materials/surfaces/si_100_passivation/6-wave-result.webp "Final H-Passivated Si(100)")
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![Final Structure](/images/tutorials/materials/passivation/passivation_surface_silicon/6-wave-result.webp "Final H-Passivated Si(100)")
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## 4. Save Passivated Structure
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