FIRST-PRINCIPLES INSIGHTS ON THE BONDING MECHANISM OF DIRECT-STACKED BIPHENYLENE NETWORK

Art Anthony Z. Munio; Alvanh Alem G. Pido; Kenneth Ian M. Balili

doi:10.17605/OSF.IO/4FNZ2

Authors

Art Anthony Z. Munio College of Arts and Sciences, Jose Rizal Memorial State University – Tampilisan Campus 7116 Tampilisan, Zamboanga del Norte, Philippines
Alvanh Alem G. Pido Department of Physics, Mindanao State University – Main Campus, 9700 Marawi City, Philippines
Kenneth Ian M. Balili Department of Physics , Mindanao State University – Iligan Institute of Technology

DOI:

https://doi.org/10.17605/OSF.IO/4FNZ2

Abstract

Recently, a new class of carbon-based nanomaterial (biphenylene network) was synthesized and gained much attention in the scientific community. Using first-principles method, we explored the bonding mechanism of direct-stacked biphenylene networks. Our calculations suggest that the nature of the interaction between the layers of the network is due to van der Waals interaction. This is due to the weak binding energy between the biphenylene networks and the deformed Electron Localization Function in the interface. We anticipate that this work will serve as a reference for further scientific investigation on the biphenylene network.

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