van Thanh, VuongVuongvan Thanhvan Truong, DoDovan TruongTUAN HUNG NGUYEN2025-09-242025-09-242024https://www.scopus.com/inward/record.uri?eid=2-s2.0-85190252135&doi=10.1007%2F978-3-031-39090-6_47&partnerID=40&md5=3dbdaf8126091a0e0a7cd76ac12b8826https://scholars.lib.ntu.edu.tw/handle/123456789/7323513rd International Annual Conference on Material, Machines and Methods for Sustainable Development, MMMS 2022. Can Tho. Conference code: 310249In this study, we examine the mechanical and electronic properties of the hydrogenated-biphenylene (HB) monolayer using Ab initio calculations. We find that the HB monolayer has anisotropic mechanical properties. The Young’s modulus of the HB monolayer is 222.73 (N/m) and 155 (N/m) along the x and y directions, respectively. The ideal strength of the HB monolayer along the x direction (21.23 N/m) is higher than that along the y direction (13.79 N/m). Moreover, our obtained results demonstrate that the HB monolayer is an indirect bandgap semiconductor at the equilibrium state, with a bandgap of 3.45?eV. We find that an indirect to direct bandgap semiconductor transition occurs at the strain of 12% along the x direction. The results presented in this study elucidate the intrinsic properties of HB monolayer under the tensile strain, which are useful for making devices based on HB monolayer.Ab-initio CalculationsElectronic PropertyHydrogenated-biphenyleneIdeal StrengthEnergy GapHydrogenationMonolayersTensile StrainAb Initio CalculationsAnisotropic Mechanical PropertiesBand-gap SemiconductorsBiphenyleneEquilibrium StateHydrogenated-biphenyleneIdeal StrengthIndirect Bandgap SemiconductorsMechanical And Electronic PropertiesSemiconductor TransitionElectronic Propertiesconference paper10.1007/978-3-031-39090-6_472-s2.0-85190252135