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Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
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A global ab initio potential energy surface for HNO (a3A") and quantum mechanical studies of vibrational states and

Anyang Li1, Changjian Xie, Daiqian Xie

  • 1Institute of Theoretical and Computational Chemistry, Key Laboratory of Mesoscopic Chemistry, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093, China.

The Journal of Chemical Physics
|May 24, 2011
PubMed

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