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Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
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JoVE Journal Chemistry
Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

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7,411 Views

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13:56 min

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October 12, 2019

DOI:

10.3791/60180-v

DOI:
10.3791/60180-v

•

13:56 min
October 12, 2019

•

5 Views
, , ,
1College of Information Science and Engineering,Ocean University of China, 2Department of Physics,Southern University of Science and Technology

Summary

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Calculations performed by the Vienna Ab initio Simulation Package can be used to identify the intrinsic electronic properties of nanoscale materials and predict the potential water-splitting photocatalysts.

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Hu, H., Lu, D., Dou, K. P., Shi, X. Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations. J. Vis. Exp. (152), e60180, doi:10.3791/60180 (2019).

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