New 2D BN-Biphenylene: Structure Stability and Properties Tunablity with DFT perspective
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DOI: 10.1039/d3cp00776f
Abstract: With state-of-the-art density functional theory and ab initio molecular dynamics, we explored the BN-analog of a recently synthesized 2D biphenylene sheet. Its dynamical, thermal, and mechanical stability has been confirmed with phonon spectrum calculations, ab… read more here.
Keywords: new biphenylene; structure; bph; biphenylene structure ... See more keywords