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DTSTART;TZID=America/New_York:20210601T103000
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DTSTAMP:20260407T002229
CREATED:20210525T212755Z
LAST-MODIFIED:20210525T212755Z
UID:10006798-1622543400-1622548800@seasevents.nmsdev7.com
SUMMARY:MEAM Seminar: "Surface and Interface Engineering in Manipulation and Fabrication of Colloid-Based Sub-Microporous Hierarchical Materials and Their Applications"
DESCRIPTION:Micro- and nano-porous hierarchical materials exhibit extraordinary mechanical\, energy conversion\, and optical properties\, but manufacturing challenges prevent them from being fabricated at cm-length scales or larger while maintaining the dense regular nm features that enhance their properties. Using self-assembled particles as a template to fabricate metallic hierarchical structures is promising to overcome these challenges\, but current fabrication approaches are significantly limited by the cracking problem in the assembled templates. This work focuses on understanding cracking mechanisms in particle templates and developing a crack-free self-assembly approach to fabricate cm-scale porous nickel hierarchical structures with sub-micrometer feature sizes and an ultrahigh tensile strength. The key to eliminating cracks in the assembled template is to manipulate the surface and interface properties of particles and substrates. The resulting nickel hierarchical structures have 30 nm grains\, 100 nm features\, and 260 MPa tensile strengths\, which are 3X the strength of all porous metals at the same relative density\, approach the theoretical strength limit for porous nickel\, and are 10X the strength of prior nanolattices. Besides\, a new way of controlling internal pore size of the resulting structures has been demonstrated by taking advantage of liquid bridging between particles. The fundamental insights and fabrication methods developed in this work further enable applications\, such as immunomagnetic separation of exosomes and mechanochromic sensing.
URL:https://seasevents.nmsdev7.com/event/meam-seminar-surface-and-interface-engineering-in-manipulation-and-fabrication-of-colloid-based-sub-microporous-hierarchical-materials-and-their-applications/
LOCATION:Zoom – Email MEAM for Link\, peterlit@seas.upenn.edu
CATEGORIES:Seminar
ORGANIZER;CN="Mechanical Engineering and Applied Mechanics":MAILTO:meam@seas.upenn.edu
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DTSTART;TZID=America/New_York:20210602T100000
DTEND;TZID=America/New_York:20210602T120000
DTSTAMP:20260407T002229
CREATED:20210517T170135Z
LAST-MODIFIED:20210517T170135Z
UID:10006787-1622628000-1622635200@seasevents.nmsdev7.com
SUMMARY:CBE PhD Dissertation Defense |  Designing MXene Catalysts for Clean Energy Chemistries using High-Throughput First-Principles Calculations and Data-Driven Methods
DESCRIPTION:Abstract: \nThe field of heterogeneous catalysis has been prompted to shift toward designing catalysts that can perform beneficial chemistries at ambient conditions. Such materials should have high activity and stability and avoid issues prevalent in other traditional catalysts that are not earth-abundant\, chemically efficient\, or with high selectivity to carry out these reactions. In this thesis\, we study a new class of materials called 2D MXenes that have intriguing electronic and surficial properties. As a result\, MXenes have been of interest for catalysis applications. However\, previous literature on the theoretical exploration of MXenes as HER and NRR catalysts has modeled the basal plane functionalization to be pristine. To counter this\, we model MXenes with different functional groups that demonstrate the extreme reactivity of the basal planes. However\, just altering the basal plane functionalization does not encapsulate the tunability of MXenes for improving their catalytic activity. \nTherefore\, we study the effect of physicochemical changes to MXenes as catalysts for the electrochemical HER and NRR. We perform density functional theory calculations to predict the material properties and their interactions with H* and NxHy* intermediates. Such changes include altering chemical structure\, doping\, straining\, supporting\, and modifying functionalization. We find that of all these changes\, functionalization has the greatest impact on adsorption energies and hence the NRR/HER activity. The sulfidation and biaxial straining of MXenes also increased the HER activity of terminated MXenes. We then compile all data and design a machine learning study where we featurize the data to predict the adsorption energies for these coupled reactions. Electronic structure features of the terminations on the basal plane show that sulfidation of MXenes improves NRR thermodynamics. This thesis pushes forward the catalysis field by elucidating the effect of tuning 2D materials to enhance their chemical activity and the usefulness of data analytics and machine learning to assist materials discovery of novel catalysts for the future clean energy economy.
URL:https://seasevents.nmsdev7.com/event/cbe-phd-dissertation-defense-designing-mxene-catalysts-for-clean-energy-chemistries-using-high-throughput-first-principles-calculations-and-data-driven-methods/
LOCATION:Zoom – Email CBE for link
CATEGORIES:Doctoral,Graduate,Student,Dissertation or Thesis Defense
ORGANIZER;CN="Chemical and Biomolecular Engineering":MAILTO:cbemail@seas.upenn.edu
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