BX1–BX2 (X1, X2 = P, As, Sb) lateral heterostructure: novel and efficient two-dimensional photovoltaic materials with ultra-high carrier mobilities. Issue 17 (10th April 2019)

• Record Type: Journal Article
• Authors: Wang, Qiang; Li, Jianwei; Liang, Yan; Wang, Bin; Nie, Yihang
• Is Part Of: Journal of materials chemistry. Volume 7:Issue 17(2019)
• Page Start: 10684
• Page End: 10695
• Publication Date: 2019-04-10
• Subjects: Materials -- Research -- Periodicals; Chemistry, Analytic -- Periodicals; Environmental sciences -- Research -- Periodicals; 543.0284
• DOI: 10.1039/c9ta01451a
• Languages: English
• ISSNs: 2050-7488

Abstract

Abstract : BX1 –BX2 (X1, X2 = P, As, Sb) lateral heterostructures: novel and efficient two-dimensional photovoltaic materials with ultra-high carrier mobilities and photocurrents. Abstract : Identifying lateral heterostructures (LHSs) with suitable two-dimensional (2D) building blocks is still an urgent challenge in materials science and device physics. In this work, we propose a new series of novel LHSs based on the ideal members of 2D group-VA derivatives, namely BX1 –BX2 (X1, X2 = P, As, Sb) with different connecting edges. Through evaluating their stabilities, electronic properties, and optically related electric behaviors by using first principles calculation methods, a battery of novel and excellent properties are demonstrated including large formation energies, moderate direct band gaps, ultrahigh carrier mobilities, and efficient optical absorptions. Moreover, the electronic devices based on these LHSs show good performance for photoelectric conversion in the visible light region, and more appreciable photocurrents, photon responsivities, external quantum efficiencies, energy conversion efficiencies, and fill factors are explored compared with some other reported 2D materials. We believe the new group of stable and novel BX1 –BX2 LHSs can provide a new strategy for experimental design and application of future photovoltaic conversion devices and excitonic solar cells.