Buckling Hydrogenated Biphenylene Network with Tremendous Stretch Extent and Anomalous Thermal Transport Properties
Xiaowei Zhang,
Markos Poulos,
Konstantinos Termentzidis
et al.
Abstract:Hydrogen adsorption is a popular and flexible method
to regulate
the physical properties of two-dimensional (2D) materials, such as
the recently synthesized biphenylene networks. In this study, the
mechanical properties and the thermal conductivity (κ) of a
fully hydrogenated biphenylene network (HBPN) under strain were investigated
systematically by molecular dynamics (MD) simulation and the wave-packet
(WP) propagation method. It was found that HBPN could sustain an unusual
strain as large as 28.8 and 34.5% … Show more
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