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update: place tags to yaml ath the top, remove from bottom
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VsevolodX committed Jan 3, 2025
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---
tags:
- SnO
- defects
- interstitial
- voronoi
- oxygen
- point defects
- Sn
- O

hide:
- tags
# YAML header
render_macros: true
---
Expand Down Expand Up @@ -152,6 +164,3 @@ To adjust the defect creation:
[DOI: 10.1103/PhysRevB.73.125205](https://doi.org/10.1103/PhysRevB.73.125205){:target='_blank'}.


## Tags.

`SnO`, `defects`, `interstitial`, `voronoi`, `oxygen`, `point defects`, `Sn`, `O`
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---
tags:
- defects
- defect pair
- substitutional
- vacancy
- point defects
- impurities
- doped semiconductors
- nitrogen
- GaN
- gallium nitride

hide:
- tags
# YAML header
render_macros: true
---
Expand Down Expand Up @@ -125,6 +139,3 @@ The following JupyterLite notebook demonstrates the process of creating material
"Self-compensation due to point defects in Mg-doped GaN", Physical Review B, 2016.
[DOI: 10.1103/PhysRevB.93.165207](https://journals.aps.org/prb/abstract/10.1103/PhysRevB.93.165207){:target='_blank'}.

## Tags.

`defects`, `defect pair`, `substitutional`, `vacancy`, `point defects`, `impurities`, `doped semiconductors`, `nitrogen`, `GaN`, `gallium nitride`
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---
tags:
- defects
- graphene
- substitutional
- point-defects
- nitrogen

hide:
- tags
# YAML header
render_macros: true
---
Expand Down Expand Up @@ -139,6 +148,3 @@ The following JupyterLite notebook demonstrates the process of creating material
1. Yoshitaka Fujimoto and Susumu Saito, "Formation, stabilities, and electronic properties of nitrogen defects in graphene", Physical Review B, 2011. [DOI: 10.1103/PhysRevB.84.245446](https://journals.aps.org/prb/abstract/10.1103/PhysRevB.84.245446){:target='_blank'}.


## Tags.

`defects`, `graphene`, `substitutional`, `point-defects`, `nitrogen`
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---
tags:
- defects
- vacancy
- point-defects
- h-BN
- boron-nitride
- 2D-materials

hide:
- tags
# YAML header
render_macros: true
---
Expand Down Expand Up @@ -133,6 +143,3 @@ The following JupyterLite notebooks demonstrate the complete process. Select "Ru

2. Kohan A. F., Ceder G., Morgan D., Van de Walle C. G. (2000). First-principles study of native point defects in h-BN. Physical Review B, 61(23), 15019-15027. [DOI:10.1103/PhysRevB.61.15019](https://doi.org/10.1103/PhysRevB.61.15019){:target='_blank'}.

## Tags.

`defects`, `vacancy`, `point-defects`, `h-BN`, `boron-nitride`, `2D-materials`
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---
tags:
- adatom
- graphene
- metal
- surface
- defect

hide:
- tags
# YAML header
render_macros: true
---
Expand Down Expand Up @@ -223,6 +232,3 @@ The interactive JupyterLite notebook for creating Graphene structures with metal

1. **Kevin T. Chan, J. B. Neaton, and Marvin L. Cohen**, "First-principles study of metal adatom adsorption on graphene" Phys. Rev. B 77, 235430, 2008 [DOI: 10.1103/PhysRevB.77.235430](https://doi.org/10.1103/PhysRevB.77.235430){:target='_blank'}.

## Tags.

`adatom`, `graphene`, `metal`, `surface`, `defect`
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---
tags:
- defects
- island
- surface
- surface-defects
- TiN
- nitrogen
- titanium

hide:
- tags
# YAML header
render_macros: true
---
Expand Down Expand Up @@ -176,6 +187,3 @@ The following JupyterLite notebook demonstrates the process of creating material

1. D. G. Sangiovanni, A. B. Mei, D. Edström, L. Hultman, V. Chirita, I. Petrov, and J. E. Greene, "Effects of surface vibrations on interlayer mass transport: Ab initio molecular dynamics investigation of Ti adatom descent pathways and rates from TiN/TiN(001) islands", Physical Review B, 2018. [DOI: 10.1103/PhysRevB.97.035406](https://journals.aps.org/prb/abstract/10.1103/PhysRevB.97.035406){:target='_blank'}.

## Tags.

`defects`, `island`, `surface`, `surface-defects`, `TiN`, `nitrogen`, `titanium`
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---
tags:
- surface
- platinum
- terrace
- step
- slab
- Pt(211)
- Pt(111)

hide:
- tags
# YAML header
render_macros: true
---
Expand Down Expand Up @@ -153,6 +164,3 @@ The following JupyterLite notebook demonstrates both approaches. Select "Run" >

1. Šljivančanin, Ž., & Hammer, B., "Oxygen dissociation at close-packed Pt terraces, Pt steps, and Ag-covered Pt steps studied with density functional theory." Surface Science, 515(1), 235–244. [DOI: 10.1016/s0039-6028(02)01908-8](https://doi.org/10.1016/s0039-6028(02)01908-8){:target='_blank'}.

## Tags.

`surface`, `platinum`, `terrace`, `step`, `slab`, `Pt(211)`, `Pt(111)`
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---
tags:
- MoS2
- platinum
- adatoms
- surface science
- 2D materials
- nanoparticles
- Mo
- S
- Pt

hide:
- tags
# YAML header
render_macros: true
---
Expand Down Expand Up @@ -176,6 +189,3 @@ To adjust the island structure:
5. Mahbube Hortamani, Peter Kratzer, and Matthias Scheffler, "Density-functional study of Mn monosilicide on the Si(111) surface:
Film formation versus island nucleation", Phys. Rev. B 76, 235426 (2007). [DOI: 10.1103/PhysRevB.76.235426](https://doi.org/10.1103/PhysRevB.76.235426){:target='_blank'}.

## Tags.

`MoS2`, `platinum`, `adatoms`, `surface science`, `2D materials`, `nanoparticles`, `Mo`, `S`, `Pt`
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---
tags:
- grain-boundary
- h-BN
- 2D-materials
- interface
- twist-angle
- atom-restoration

hide:
- tags
# YAML header
render_macros: true
---
Expand Down Expand Up @@ -142,6 +152,3 @@ The following JupyterLite notebook demonstrates the complete process. Select "Ru

1. Qiucheng Li, et al., "Grain Boundary Structures and Electronic Properties of Hexagonal Boron Nitride on Cu(111)", ACS Nano 2015 9 (6), 6308-6315. [DOI: 10.1021/acs.nanolett.5b01852](https://doi.org/10.1021/acs.nanolett.5b01852)

## Tags.

`grain-boundary`, `h-BN`, `2D-materials`, `interface`, `twist-angle`, `atom-restoration`
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---
tags:
- grain boundary
- interface
- copper
- Cu
- FCC
- metal

hide:
- tags
# YAML header
render_macros: true
---
Expand Down Expand Up @@ -138,6 +148,3 @@ The following JupyterLite notebook demonstrates the complete process. Select "Ru

1. Timofey Frolov, David L. Olmsted, Mark Asta & Yuri Mishin, "Structural phase transformations in metallic grain boundaries", Nature Communications, volume 4, Article number: 1899 (2013). [DOI: 10.1038/ncomms2919](https://www.nature.com/articles/ncomms2919)

## Tags.

`grain boundary`, `interface`, `copper`, `Cu`, `FCC`, `metal`
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---
tags:
- slab-creation
- interfaces
- high-k
- metal-gate
- semiconductor
- heterostructure
- strain-matching
- Si
- SiO2
- HfO2
- TiN

hide:
- tags
# YAML header
render_macros: true
---
Expand Down Expand Up @@ -200,6 +215,3 @@ The following JupyterLite notebook demonstrates the process of creating target m
Reports on Progress in Physics 69, 327 (2006)
[DOI: 10.1088/0034-4885/69/2/R02](https://doi.org/10.1088/0034-4885/69/2/R02)

## Tags.

`slab-creation`, `interfaces`, `high-k`, `metal-gate`, `semiconductor`, `heterostructure`, `strain-matching`, `Si`, `SiO2`, `HfO2`, `TiN`
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---
tags:
- 2D
- Graphene
- Hexagonal Boron Nitride
- interface
- stacking

hide:
- tags
# YAML header
render_macros: true
---
Expand Down Expand Up @@ -169,6 +178,3 @@ The interactive JupyterLite notebook for creating Gr/h-BN interface can be acces
RSC Adv., 2024, 4, 1-10
[DOI: 10.1039/D3RA06559F](https://doi.org/10.1039/D3RA06559F)

## Tags.

`2D`, `Graphene`, `Hexagonal Boron Nitride`, `interface`, `stacking`
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---
tags:
- graphene
- silicon dioxide
- interface
- 2D
- 3D
- oxygen
- termination

hide:
- tags
# YAML header
render_macros: true
---
Expand Down Expand Up @@ -129,6 +140,3 @@ The interactive JupyterLite notebook for creating interfaces between graphene an
Nanoscale 6, 2548-2562 (2014)
[DOI: 10.1039/C3NR05279F](https://doi.org/10.1039/C3NR05279F)

## Tags.

`graphene`, `silicon dioxide`, `interface`, `2D`,`3D`, `oxygen`, `termination`
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---
tags:
- 3D
- copper
- cristobalite
- interface
- termination
- SiO2
- Cu

hide:
- tags
# YAML header
render_macros: true
---
Expand Down Expand Up @@ -136,6 +147,3 @@ The interactive JupyterLite notebook for creating interfaces between Copper and
Molecular dynamics study of the adhesion of Cu/SiO2interfaces using a variable-charge interatomic potential. Physical Review B, 83(11).
[DOI: 10.1103/PhysRevB.83.115327](https://doi.org/10.1103/PhysRevB.83.115327)

## Tags.

`3D`, `copper`, `cristobalite`, `interface`, `termination`, `SiO2`, `Cu`
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---
tags:
- 2d-materials
- layers
- bilayer
- twisted
- commensurate
- molybdenum
- disulfide

hide:
- tags
# YAML header
render_macros: true
---
Expand Down Expand Up @@ -146,6 +157,3 @@ The interactive JupyterLite notebook for creating twisted bilayer MoS2 structure
1. Kaihui Liu, Liming Zhang, Ting Cao, Chenhao Jin, Diana Qiu, Qin Zhou, Alex Zettl, Peidong Yang, Steve G. Louie & Feng Wang, "Evolution of interlayer coupling in twisted molybdenum disulfide bilayers" Nature Communications volume 5, Article number: 4966 (2014) [DOI: 10.1038/ncomms5966](https://doi.org/10.1038/ncomms5966)
2. Cao, Y., Fatemi, V., Fang, S. et al. Unconventional superconductivity in magic-angle graphene superlattices. Nature 556, 43–50 (2018). [DOI: 10.1038/nature26160](https://doi.org/10.1038/nature26160)

## Tags.

`2d-materials`, `layers`, `bilayer`, `twisted`, `commensurate`, `molybdenum`, `disulfide`
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---
tags:
- twisted-bilayer
- nanoribbons
- boron-nitride
- BN
- boron
- nitrogen

hide:
- tags
# YAML header
render_macros: true
---
Expand Down Expand Up @@ -116,7 +126,3 @@ The interactive JupyterLite notebook for creating the twisted bilayer boron nitr
1. **Lede Xian, Dante M. Kennes, Nicolas Tancogne-Dejean, Massimo Altarelli, and Angel Rubio**,
"Multiflat Bands and Strong Correlations in Twisted Bilayer Boron Nitride: Doping-Induced Correlated Insulator and Superconductor" Phys. Rev. Lett. 125, 086402 – Published 20 August 2020 DOI: 10.1021/acs.nanolett.9b00986

## Tags.

`twisted-bilayer`,`nanoribbons`, `boron-nitride`, `BN`, `boron`, `nitrogen`

12 changes: 9 additions & 3 deletions lang/en/docs/tutorials/materials/specific/nanocluster-gold.md
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---
tags:
- gold
- cluster
- nanoparticle
- cuboctahedron
- icosahedron

hide:
- tags
# YAML header
render_macros: true
---
Expand Down Expand Up @@ -166,6 +175,3 @@ The interactive JupyterLite notebook for creating Gold Nanoclusters can be acces
[DOI: 10.1103/PhysRevB.84.245429](https://doi.org/10.1103/PhysRevB.84.245429){:target='_blank'}.


## Tags.

`gold`, `cluster`, `nanoparticle`, `cuboctahedron`, `icosahedron`
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