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Publications
Proceedings
2020 Virtual AIChE Annual Meeting
Computational Molecular Science and Engineering Forum
Nanoscale Behavior of Sustainable Processes
2020 Virtual AIChE Annual Meeting
Session: Nanoscale Behavior of Sustainable Processes
Chair
Jindal K. Shah
, Oklahoma State University
Co-Chair
Joshua Howe
, Texas Tech University
Presentations
08:00 AM
(201a) (Invited Talk) Mechanistic Insights into Deoxygenation Chemistry on Bimetallic Phosphides
Neeraj Rai, Varsha Jain, Woodrow Wilson
08:15 AM
(201b) Ultrafast Hot Carrier Injection in Au/GaN: The Role of Band Bending and the Interface Band Structure
Fan Zheng, Lin-Wang Wang
08:30 AM
(201c) Halides Induce Anisotropic Growth of Cu Nanocrystals
Kristen Fichthorn, Zihao Chen, Myung Jun Kim, Benjamin Wiley, Mutya A. Cruz
08:45 AM
(201d) First-Principles Study of Lithium-Air Batteries Based on Tri-Molybdenum Phosphide (Mo3P) Nanoparticles
Zhen Jiang, Arvin Kakekhani, Alireza Kondori, Mohammadreza Esmaeilirad, Mohammad Asadi, Andrew Rappe
09:00 AM
(201e) First-Principles Modeling of Thermal Degradation of CO2-Loaded Aqueous Amine Solvents
Bohak Yoon, Gyeong Hwang
09:30 AM
(201g) Assessment of the Two-Phase Thermodynamic Method for Calculating Adsorption Isotherms
Peng Bai, Shubham Malviya