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Unveiling the complex structure-property correlation of defects in 2D materials based on high throughput datasets | Matter42 Literature

Paper

Atlas literature

Research paper

Computational DFTHigh Throughput Screening

Unveiling the complex structure-property correlation of defects in 2D materials based on high throughput datasets

Pengru Huang, Ruslan luckin, Maxim Faleev, Nikita Kazeev et al.

2022·10.48550/arXiv.2010.09435·arXiv:2212.02110

Samples

Each sample groups how it was prepared, characterized, and measured. Click a card to expand.

8x8 monolayer MoS₂ supercell used for simple point-defect calculations.

12 properties

Simulated Supercell DftMoS₂Studied Material

8x8 monolayer WSe₂ supercell used for simple point-defect calculations.

No measurements recorded

Simulated Supercell DftWSe₂Studied Material

Monolayer MoS₂ supercell used for randomly generated high-density vacancy/substitution defect configurations.

No measurements recorded

Simulated Supercell DftMoS₂Studied Material

Monolayer WSe₂ supercell used for randomly generated high-density vacancy/substitution defect configurations.

No measurements recorded

Simulated Supercell DftWSe₂Studied Material

Monolayer hBN supercell used for randomly generated high-density defect configurations.

No measurements recorded

Simulated Supercell DftBNStudied Material

Monolayer GaSe supercell used for randomly generated high-density defect configurations.

No measurements recorded

Simulated Supercell DftGaSeStudied Material

Monolayer InSe supercell used for randomly generated high-density defect configurations.

No measurements recorded

Simulated Supercell DftInSeStudied Material

Monolayer black phosphorus supercell used for randomly generated high-density defect configurations.

No measurements recorded

Simulated Supercell DftPStudied Material

Why these are connected

Related documents with shared materials, methods, properties, or citations.

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Engineering Interfacial Charge Transfer through Modulation Doping for 2D Electronics
material WSe₂material MoS₂simulation DFTmaterial hBN
paper2025
2D Spintronics for Neuromorphic Computing with Scalability and Energy Efficiency

Paper

Atlas literature

Research paper

Computational DFTHigh Throughput Screening

Unveiling the complex structure-property correlation of defects in 2D materials based on high throughput datasets

Pengru Huang, Ruslan luckin, Maxim Faleev, Nikita Kazeev et al.

2022·10.48550/arXiv.2010.09435·arXiv:2212.02110

Samples

Each sample groups how it was prepared, characterized, and measured. Click a card to expand.

8x8 monolayer MoS₂ supercell used for simple point-defect calculations.

12 properties

Simulated Supercell DftMoS₂Studied Material

8x8 monolayer WSe₂ supercell used for simple point-defect calculations.

No measurements recorded

Simulated Supercell DftWSe₂Studied Material

Monolayer MoS₂ supercell used for randomly generated high-density vacancy/substitution defect configurations.

No measurements recorded

Simulated Supercell DftMoS₂Studied Material

Monolayer WSe₂ supercell used for randomly generated high-density vacancy/substitution defect configurations.

No measurements recorded

Simulated Supercell DftWSe₂Studied Material

Monolayer hBN supercell used for randomly generated high-density defect configurations.

No measurements recorded

Simulated Supercell DftBNStudied Material

Monolayer GaSe supercell used for randomly generated high-density defect configurations.

No measurements recorded

Simulated Supercell DftGaSeStudied Material

Monolayer InSe supercell used for randomly generated high-density defect configurations.

No measurements recorded

Simulated Supercell DftInSeStudied Material

Monolayer black phosphorus supercell used for randomly generated high-density defect configurations.

No measurements recorded

Simulated Supercell DftPStudied Material

Why these are connected

Related documents with shared materials, methods, properties, or citations.

Paper

Atlas literature

Research paper

Computational DFTHigh Throughput Screening

Unveiling the complex structure-property correlation of defects in 2D materials based on high throughput datasets

Pengru Huang, Ruslan luckin, Maxim Faleev, Nikita Kazeev et al.

2022·10.48550/arXiv.2010.09435·arXiv:2212.02110

Samples

Each sample groups how it was prepared, characterized, and measured. Click a card to expand.

8x8 monolayer MoS₂ supercell used for simple point-defect calculations.

12 properties

Simulated Supercell DftMoS₂Studied Material

8x8 monolayer WSe₂ supercell used for simple point-defect calculations.

No measurements recorded

Simulated Supercell DftWSe₂Studied Material

Monolayer MoS₂ supercell used for randomly generated high-density vacancy/substitution defect configurations.

No measurements recorded

Simulated Supercell DftMoS₂Studied Material

Monolayer WSe₂ supercell used for randomly generated high-density vacancy/substitution defect configurations.

No measurements recorded

Simulated Supercell DftWSe₂Studied Material

Monolayer hBN supercell used for randomly generated high-density defect configurations.

No measurements recorded

Simulated Supercell DftBNStudied Material

Monolayer GaSe supercell used for randomly generated high-density defect configurations.

No measurements recorded

Simulated Supercell DftGaSeStudied Material

Monolayer InSe supercell used for randomly generated high-density defect configurations.

No measurements recorded

Simulated Supercell DftInSeStudied Material

Monolayer black phosphorus supercell used for randomly generated high-density defect configurations.

No measurements recorded

Simulated Supercell DftPStudied Material

Why these are connected

Related documents with shared materials, methods, properties, or citations.

Paper

Atlas literature

Research paper

Computational DFTHigh Throughput Screening

Unveiling the complex structure-property correlation of defects in 2D materials based on high throughput datasets

Pengru Huang, Ruslan luckin, Maxim Faleev, Nikita Kazeev et al.

2022·10.48550/arXiv.2010.09435·arXiv:2212.02110

Samples

Each sample groups how it was prepared, characterized, and measured. Click a card to expand.

8x8 monolayer MoS₂ supercell used for simple point-defect calculations.

12 properties

Simulated Supercell DftMoS₂Studied Material

8x8 monolayer WSe₂ supercell used for simple point-defect calculations.

No measurements recorded

Simulated Supercell DftWSe₂Studied Material

Monolayer MoS₂ supercell used for randomly generated high-density vacancy/substitution defect configurations.

No measurements recorded

Simulated Supercell DftMoS₂Studied Material

Monolayer WSe₂ supercell used for randomly generated high-density vacancy/substitution defect configurations.

No measurements recorded

Simulated Supercell DftWSe₂Studied Material

Monolayer hBN supercell used for randomly generated high-density defect configurations.

No measurements recorded

Simulated Supercell DftBNStudied Material

Monolayer GaSe supercell used for randomly generated high-density defect configurations.

No measurements recorded

Simulated Supercell DftGaSeStudied Material

Monolayer InSe supercell used for randomly generated high-density defect configurations.

No measurements recorded

Simulated Supercell DftInSeStudied Material

Monolayer black phosphorus supercell used for randomly generated high-density defect configurations.

No measurements recorded

Simulated Supercell DftPStudied Material

Why these are connected

Related documents with shared materials, methods, properties, or citations.