Advances in Emerging Electronic Nanomaterials: Synthesis, Enhanced Properties, Integration, and Applications: Poster Session
Sponsored by: TMS: Nanomaterials Committee
Program Organizers: Chang-Yong Nam, Brookhaven National Laboratory; Jung-Kun Lee, University of Pittsburgh; Stephen McDonnell, University of Virginia

Monday 5:00 PM
October 10, 2022
Room: Ballroom BC
Location: David L. Lawrence Convention Center

Session Chair: Chang-Yong Nam, Brookhaven National Laboratory; Jung-Kun Lee, University of Pittsburgh; Stephen McDonnell, University of Virginia


H-1: A Molecular Dynamics Study of Additive Nanomanufacturing: Revealing Sintering Mechanisms : Dourna Jamshideasli1; Shuai Shao1; Masoud Mahjouri-Samani1; Nima Shamsaei1; 1Auburn University
    Additive nanomanufacturing can deposit and sinter nanoparticles on a wide range of substrates, including flexible and/or biodegradable ones. Existing sintering prediction models are based on the dominating mechanism(s) in the sintering of particles of a few microns or larger. However, these models may not be directly applicable to nanoparticles due to their significantly higher surface-to-volume ratios which can give rise to different governing sintering mechanisms, which can be dependent on the size, misorientation, temperature, material type, and time. Predicting nanoscale sintering is therefore still a challenging problem. This research uses molecular dynamics simulations of spherical double-nanoparticles to see how the aforementioned parameters affect sintering mechanisms. By recognizing the particles that make up the neck area and tracing their motions as well vacancy distribution, an atomic-level understanding of sintering mechanisms is revealed. These simulations pave the way for a nanoscale version of Ashby's sintering diagrams to be created.

H-2: Optical Engineering of Pbs Colloidal Quantum Dot Solar Cells Via Fabry-Perot Resonance and Distributed Bragg Reflectors: Sumin Bae1; 1University of Pittsburgh
    We reduce the tradeoff between light absorption and charge transport by combining a Fabry-Perot (FP) resonator and a distributed Bragg reflector (DBR). A FP resonance is formed between the DBR and a dielectric-metal-dielectric film as a top transparent electrode. The FP resonance enhances light absorption near the resonant wavelength of the DBR without changing the CQD film thickness. The light absorption near the FP resonance wavelength is further boosted by coupling the FP resonance with the high reflectivity of the Ag-coated DBR. When the FP resonance and DBR are added, the power conversion efficiency (PCE) of PbS CQD solar cells increases up to 82%. The results of this study pave a way toward overcoming the inherence problem of the CQD solar cells as well as developing semi-transparent solar cells or multi-junction solar cells, where the wavelength-selective absorption and transmission are very important.

H-4: Study on Nanostructured Molybdenum Carbide for Hydrogen Evolution Reaction: Anqi Wang1; 1University of Pittsburgh
    Molybdenum carbide is one of candidates which can replace platinum for the application of hydrogen evolution reaction (HER). In previous studies, different synthesis methods were used to prepare multi-phases molybdenum carbide particles. However, these processes required high temperature annealing. In this thesis, the effect of microwave-assisted solvothermal (MWSV) reaction on the phase evolution of molybdenum carbide is studied. MWSV method is a combination of solvothermal reaction and microwave heating. The most advantage is vigorous agitation of molecules and internal heating, which can largely reduce reaction time. Highly crystalline Mo2C is obtained by annealing resultants of MWSV at low temperature. A change in precursor compositions during MWSV has a significant impact on the crystal structure of final products. HER test shows that MWSV grown Mo2C particles have an ability of proton reduction when low electric potential is applied.

H-5: Toward Scalable Fabrication of Stable Metal Halide Perovskite Solar Cells Through Inkjet Printing and Antisolvent Bathing: Marc Migliozzi1; 1University of Pittsburgh
    Due to rapid progress in recent years, the power conversion efficiencies (PCEs) of perovskite solar cells (PSCs) have become comparable to that of crystalline silicon devices. Yet, the reliance on small-scale fabrication techniques has slowed the commercialization of this technology. This work examines inkjet printing and antisolvent bathing as scalable alternatives to traditional fabrication techniques. It was found that piezoelectric printing parameters, substrate surface energy, and ink rheology affect film formation, as well as the resulting microstructure. Multiple passes of ink increased perovskite grain size, which is credited to the redissolving of homogeneous nucleation sites. Of all the antisolvents tested, only films submerged in diethyl ether resulted in a dense microstructure, due to its immiscibility with DMSO. Stability was further improved through the addition of polyvinylpyrrolidone, which reacted with dangling perovskite bonds. The champion device recorded a PCE of 16.2% and retained 73% of its initial PCE over 30 days.