Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles CalculationsHuiHui Hu 1, DeBen Lu 1, Kun Peng Dou 1, Xing-Qiang Shi 2
1College of Information Science and Engineering, Ocean University of China, 2Department of Physics, Southern University of Science and Technology
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.
