Kaur, SKumar, ASrivastava, STankeshwar, KPandey, R.2020-07-162024-08-132020-07-162024-08-132020957448410.1088/1361-6528/ab8cf1http://10.2.3.109/handle/32116/2637Electronic structure calculations based on density functional theory were performed to investigate structural, mechanical, and electronic properties of phosphorene-based large honeycomb dumbbell (LHD) hybrid structures and a new phosphorene allotrope, referred to as ??-P. The LHD hybrids (i.e., X6P4; X being C or Si or Ge or Sn) and ??-P have significantly higher bandgaps than the corresponding pristine LHD structures, except the case of C6P4, which is metallic. ??-P is found to be a highly flexible p-type material which shows strain-engineered photocatalytic activity in a highly alkaline medium. The carrier mobility of the considered systems is as high as 105 cm2 V-1 s-1 (specifically the electron mobility of LHD structures). The calculated STM images display the surface morphologies of the LHD hybrids and ??-P. The predicted phosphorus-based 2D structures with novel electronic properties may be candidate materials for nanoscale devices. - 2020 IOP Publishing Ltd.en-UScarrier mobilitydensity functional theoryphosphorenesiliconeSTMArticlehttps://iopscience.iop.org/article/10.1088/1361-6528/ab8cf1/meta