Advanced Materials for Energy Conversion and Storage VII: Functional Materials for Energy II
Sponsored by: TMS Functional Materials Division, TMS: Energy Conversion and Storage Committee
Program Organizers: Jung Choi, Pacific Northwest National Laboratory; Soumendra Basu, Boston University; Amit Pandey, Lockheed Martin Space; Paul Ohodnicki, University Of Pittsburgh; Kyle Brinkman, Clemson University; Partha Mukherjee, Purdue University; Surojit Gupta, University of North Dakota

Wednesday 8:30 AM
March 17, 2021
Room: RM 23
Location: TMS2021 Virtual

Session Chair: Paul Ohodnicki, University of Pittsburgh; Christian Faria, Worcester Polytechnic Institute


8:30 AM  
Integrated Mo1-xCoxS2/Carbon Nanotubes for Water Splitting Applications: Lee Kendall1; Amir Chamaani1; Stephen McDonnell1; Giovanni Zangari1; 1University of Virginia
    With the increase in the global consumption of energy, the need to meet the growing energy demands has put significant pressure on the current means of energy production. To meet this demand, water splitting has seen substantial efforts in developing catalytically active materials that replace costly materials to allow for economically viable implementations. This effort will focus on the electrodeposition of Mo1-xCoxS2 that is integrated with carbon nanotubes. We will report on an investigation in the electrodeposition and characterization of varying transition metal concentrations in Mo1-xCoxS2 and its effect on the physical, electronic, and catalytic properties. In addition, carbon nanotubes will be utilized as the substrate in order to facilitate an increased number of active sites as well as minimizing the high kinetic barrier for the electrochemical reactions. Through electrodepositing catalytically active Mo1-xCoxS2 on carbon nanotubes, this effort demonstrates improved water splitting efficiency over current, low-cost materials.

8:50 AM  
Heterogeneous Metal/Oxide Nanostructure Integration for Catalytic Chemical Transformation: from HCs Oxidation, CO2 Conversion, to H2 Production: Pu-Xian Gao1; 1University of Connecticut
    Three-dimensional (3-D) integration of nanostructures or nanostructure arrays into applicable platforms or devices represents the need for meeting ever-increasing demands of human beings for cost-effectiveness, structure sophistication, multi-function enabling, while simplified and efficient practical operations. Such an integration process involves a diverse array of nanostructured entities that include dissimilar nanoscale building blocks such as particles, wires, and films made of metals, ceramics, or polymers. In this talk, I will highlight our latest research progress on the 2-D and 3-D metal oxide and metal based nanostructure integrations toward applicable energy devices, specifically on the nanoarray integrated microreactors for conversion and production of clean and renewable energies such as hydrogen and methanol. Examples as the connecting dots will depart from our decade-long effort in nano-engineered catalytic exhaust aftertreatment, nanomanufacturing, to catalytic water splitting and CO2 transformation into methanol, intending to draw a unique nanomaterials roadmap toward multifunctional and scalable 3-D integration.

9:10 AM  
High-efficiency High Power Density Direct Carbon Fuel Cell: Christian Faria1; Jun Lu1; Adam Powell1; Boyd Davis2; Yu Zhong1; Uday Pal3; 1Worcester Polytechnic Institute; 2Kingston Process Metallurgy; 3Boston University
    A high-efficiency high-power-density direct carbon fuel cell is proposed which marries solid oxide fuel cell technology with steelmaking practice. This uses a cathode-supported solid electrolyte such as yttria-stabilized zirconia, and an iron- or manganese-based liquid alloy anode with high carbon solubility. Anode reaction kinetics are rapid due to carbon solubility and gas lift stirring, with the alloy selected by high-throughput CALPHAD modeling. A slag layer absorbs carbon fuel impurities such as silicon, sulfur and phosphorus. This talk will present thermodynamics, electrochemistry, and transport models to estimate electrical and thermal performance at various scales, with experimental validation using an electrolyte-supported fuel cell. It will also present a techno-economic model of cost, energy and net emissions for bioenergy and fossil energy with CO₂ capture and storage (CCS), with comparisons to conventional electricity generation with CCS such as integrated gasification combined cycle and solid oxide fuel cell systems.

9:40 AM  
Magnesium as a Zero- or Negative-Emissions Fuel for Shipping and Aerospace: Hongyi Sun1; Yi Jie Wu1; Jake Scarponi1; Adam Powell1; Jagannath Jayachandran1; 1Worcester Polytechnic Institute
    Magnesium and its hydride are potential zero- or negative-emissions transportation fuels due to high energy density, abundance particularly in sea water, low oxide and hydroxide toxicity, and reaction with CO₂. It is economical to produce MgO or Mg(OH)₂ from sea water or desalination concentrate, and to produce Mg metal using electrical energy with zero direct emissions. This talk will focus on two applications of Mg as a transportation fuel. For shipping, it will review progress on magnesium-air fuel cells, and introduce a new class of fuel cell which overcomes past limitations. For aerospace, a slurry of ~1 μm MgH₂ powder in liquid hydrocarbon fuel is both pumpable and slow to oxidize in air, with higher energy density than jet fuel (though lower specific energy) and fast combustion kinetics due to MgH₂ particle bursting; MgO nanoparticle emissions react with atmospheric CO₂ and water to form dilute MgCO₃ rain.

10:00 AM  
Metal Dichalcogenide Based Planner Thermoelectric Generator for Efficient Waste Heat Harvesting: Sangram Pradhan1; Gilbert Kogo1; Messaoud Bahoura1; 1Norfolk State University
    Large area highly crystalline MoS2 and WS2 thin films were successfully grown on different substrates using sputtering technique. Structural, morphological and thermoelectric properties of MoS2, and WS2 films have been investigated systematically to fabricate high-efficient thermal energy harvesting devices. XRD data revealed that crystallites of MoS2 and WS2 films are highly crystalline and oriented in 00l plane Interestingly, MoS2 films also display low thermal conductivity at room temperature and strongly favors achievement of higher thermoelectric figure of merit value of up to 1.98. Raman spectroscopy data shows two distinct MoS2 vibrational modes at 380 cm-1 for E12g and 410 cm-1 for A1g. Thermoelectric transport studies further demonstrated that MoS2 films show p-type thermoelectric characteristics, while WS2 is an n-type material. We demonstrated high efficient pn-junction thermoelectric generator device for waste heat recovery and cooling applications.