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DOE OSTI2020

Materials Data on PPdS by Materials Project

PdPS crystallizes in the orthorhombic Pbcn space group. The structure is two-dimensional and consists of two PdPS sheets oriented in the (0, 0, 1) direction. Pd4+ is bonded in a square co-planar geometry to two equivalent P2- and two equivalent S2- atoms. There are one shorter (2.31 Å) and one longer (2.32 Å) Pd–P bond lengths. Both Pd–S bond lengths are 2.38 Å. P2- is bonded to two equivalent Pd4+, one P2-, and one S2- atom to form distorted corner-sharing PPPd2S tetrahedra. The P–P bond length is 2.24 Å. The P–S bond length is 2.13 Å. S2- is bonded in a trigonal non-coplanar geometry to two equivalent Pd4+ and one P2- atom.

36 MATERIALS SCIENCE↗

DOE OSTI2021

High-Performance All-Polymer Solar Cells and Photodetectors Enabled by a High-Mobility n-Type Polymer and Optimized Bulk-Heterojunction Morphology

All-polymer solar cells (all-PSCs) and all-polymer photodetectors (all-PPDs) are promising for application in flexible electronics, but their performance is greatly limited by the lack of polymer acceptors and the difficulties in morphology control. Herein, we report the use of a high-mobility n-type polymer semiconductor, PNDI-DTBT, for fabricating high-performance all-PSCs and all-PPDs. By pairing PNDI-DTBT with a matched polymer donor, a prominent power conversion efficiency of 8.5% was obtained in all-PSCs, demonstrating the great potential of high-mobility n-type polymers with a conventional donor–acceptor skeleton for photovoltaic application. Moreover, all-PPDs with a low dark current density of 1.32 × 10 –8 A cm –2 at –0.1 V bias and a high specific detectivity of 4.77 × 10 12 Jones were achieved, which belong to the best results of organic photodetectors. Morphology investigations revealed that the formation of a bicontinuous interpenetrating network with optimal phase separation scale, high domain purity, and preferential vertical composition distribution in the bulk-heterojunction active layer contribute to the remarkable device performance. Furthermore, these results suggest that combining high-mobility n-type polymers and morphology optimization is fruitful to achieving high-performance all-PSCs and all-PPDs.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Effects of Dust Coagulation on Streaming Instability

Abstract Streaming instability (SI) in dust has long been thought to be a promising process in triggering planetesimal formation in the protoplanetary disks (PPDs). In this study, we present the first numerical investigation that models the SI in the vertically stratified disk together with the dust coagulation process. Our simulations reveal that, even with the initially small dust sizes, because dust coagulation promotes dust size growth, SI can eventually still be triggered. Specifically, dust coagulation, limited only by dust fragmentation, broadens the parameter boundaries obtained from previous SI studies using single dust species. We describe the various stages of dust dynamics along with their size evolution and explore the impact of different dust fragmentation velocities. Implications of these results for realistic PPDs are also discussed.

79 ASTRONOMY AND ASTROPHYSICS↗