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Publications
Proceedings
2021 Annual Meeting
Catalysis and Reaction Engineering Division
Poster Session: Catalysis and Reaction Engineering (CRE) Division
2021 Annual Meeting
Session: Poster Session: Catalysis and Reaction Engineering (CRE) Division
Chair
Mallikarjun Sharada, S.
, University of Southern California
Co-Chairs
Schwartz, T.
, University of Maine
Bond, J.
, Syracuse University
Presentations
03:30 PM
(509cy) Chemically-Informed Data-Driven Optimization (ChIDDO): Leveraging Physical Models and Bayesian Learning to Accelerate Chemical Research
Frey, D.
,
Shang, X.
,
Shin, J. H.
,
Modestino, M.
(509cs) Combining Uncertainty Metrics to Control Neural Network Error and Accelerate Chemical Exploration
Musa, E.
,
Goldsmith, B.
,
Doherty, F.
,
Gruich, C.
(509au) Microwave Enhanced Decomposition of Methane over Iron to Carbon Nanotubes and Hydrogen
Christiansen, T.
(509r) Tungsten Carbides As Active Catalysts for CO2 Hydrogenation
Juneau, M. B.
,
Porosoff, M.
(509bc) Blending Rule for Predicting the Sooting Tendencies of Gasoline Mixtures from the Individual Components
Xiang, Z.
,
Kwon, H.
,
Pfefferle, L. D.
,
Xuan, Y.
,
Zhu, J.
,
McEnally, C.
(190e) Origin of Selective Production of Hydrogen Peroxide By Electrochemical Oxygen Reduction
Liu, Y.
(509cz) Deconvoluting XPS Spectra in Lanthanum-Based Perovskites: An Analysis from First Principles
Whitten, A.
,
Nikolla, E.
,
McEwen, J. S.
,
Tezel, E.
,
Guo, D.
,
Soltani, M.
,
Denecke, R.
(509an) First Principles Modeling of FeNx Clusters and Defects in Aqueous Acidic Media: Tying Structure to Site Stability and Activity for the Oxygen Reduction Reaction
Morankar, A.
,
Greeley, J.
,
Deshpande, S.
,
Zeng, Z.
,
Atanassov, P.
(509bu) Design and Characterization of Washcoated Catalytic Microreactors for Dynamic Operation
Armstrong, C.
,
Teixeira, A. R.
(509a) Design Rationales for an Optimal Oxide/Metal Interface Catalyst for Hydrodeoxygenation Chemistry of Biomass Derivatives
Deo, S.
,
Janik, M.
,
Weikel, K.
(509ci) Autothermal Reactor Design and Development for the Oxidative Dehydrogenation of Ethane
Chen, J.
,
Bollini, P.
,
Balakotaiah, V.
(509bx) Magnesium- PAP Metal Organic Framework Based Photoswitcher for the Degradation of Chlorpyrifos
Yadav, A.
,
Sharma, A.
,
Kumar Sharma, R.
,
Kumar Sharma, S.
(509ar) Surface Proton Dynamics on BaZrO3: Implications for High Temperature Solid Electrolytes in Electrocatalysis
Lehman, C.
,
Vojvodic, A.
(509cq) Rational Catalyst Design through Computational Catalysis
Gunasooriya, G. T. K. K.
(509s) Enhanced Stability of Fe-Modified CuO-ZnO-ZrO2-Al2O3/HZSM-5 Bifunctional Catalysts for Dimethyl Ether Synthesis Via CO2 Hydrogenation
Fan, X.
,
Ren, S.
,
Jin, B.
,
Li, S.
,
Yu, M.
,
Liang, X.
(509by) Molten Salt Synthesis of (Ni,Mg)O Mixed Oxides: Designing New Methods to Control Crystal Morphology
Susman, M. D.
,
Pham, H. N.
,
Zhao, X.
,
Cheula, R.
,
West, D.
,
Chinta, S.
,
Maestri, M.
,
Bollini, P.
,
Datye, A. K.
,
Rimer, J.
(509af) Electrochemical Charge Transport in Ionic Liquids for CO2 Conversion to Peroxydicarbonate Anion Using Superoxide Ion
Halilu, A.
,
Kheireddine Aroua, M.
,
Hayyan, M.
,
Yusoff, R.
,
F. Hizaddin, H.
(509da) Nuclearity As a Descriptor for Site and Surface Selection
Ulissi, Z.
,
Sharma, U.
,
Janik, M.
,
Nguyen, A.
(509ae) Decorating Copper Nanostructures with Atomic Palladium and Silver Species to Regulate Product Selectivity in CO2 Electroreduction
Chhetri, M.
,
Yeager, J.
,
Sandor, C.
,
Yang, M.
,
Jin, Z.
(509db) Developing Linear Free Energy Relationships for Transition Metal Chemistry
Lan, Z.
,
Mallikarjun Sharada, S.
(509aa) Understanding the Interactions between Bubble Dynamics and Electrochemical Energy Losses in Flow Electrolyzers
Angulo Figueira, A.
,
Modestino, M.
(509ac) Probing the Dynamic Surface Reconstruction in Non-Stoichiometric Mixed Metal Oxides during Electrochemical Oxygen Evolution
Camayang, J. C. A.
,
Samira, S.
,
Hong, J.
,
Hoffman, A.
,
Nikolla, E.
,
Bare, S.
(509y) Electrochemical Co-Reduction of CO2 and Nitrates into Urea on Cu-Co Bimetallic Gas Diffusion Electrodes (GDE)
Chidambara Kani, N. B.
,
Singh, M.
,
Prajapati, A.
(509bt) Quantifying the Effect of Surface Density of Aminosilanes on the Fraction of Active Sites in SBA-15 for the Aldol Condensation
Chen, J. Y.
,
Brunelli, N.
(509as) Characterizing Electrochemical Systems By Volterra Kernel Analysis of Response to Small-Amplitude Oscillatory Voltage Inputs
Limaye, A.
,
Willard, A. P.
,
Manthiram, K.
(509v) Molten-Salt Mediated CO2 Capture and Utilization for Ethane Oxidative Dehydrogenation with Super-Equilibrium CO2 Conversion
Liu, J.
,
Gao, Y.
,
Wang, X.
,
Li, F.
(509ca) Influencing Selectivity of Ni Reverse Water Gas Shift Catalysts Using Atomic Layer Deposition
English, M.
,
Warren, K. J.
,
Weimer, A.
(509ap) Electrocatalytic Reduction of Nitrobenzene By Iron-Salen Ligand Complexes
Miller, J.
,
Perdue, B.
,
Wong, A.
,
Janik, M.
(509ad) Highly Boosted Reaction Kinetics in Carbon Dioxide Electroreduction By Surface?Introduced Electronegative Dopants
Zheng, W.
,
Hou, Y.
(509cl) Tuning the Activity of Benzyl Alcohol Hydrodeoxygenation Using Organic Ligands
Blanchette, Z.
,
Schwartz, D. K.
,
Medlin, J.
(509co) Effect of Water on Cumene Dealkylation over ZSM-5 Zeolites
Crossley, S.
,
Chau, H.
,
Gumidyala, A.
(509de) High Throughput Screening of Bio-Inspired Mo/W Catalysts
Liu, M.
,
Nazemi, A.
,
Kulik, H.
(509t) Synthesis of Symmetrical Urea Derivatives from CO2 and Amines over Copper-Based Core-Shell Catalysts
McGregor, J.
,
Karacam, C.
(509bw) Supercritical Fluids As Reaction Media for Scalable Production of Carbon Nanomaterials and Their Applications
Almkhelfe, H.
(509at) Designing Electro-Catalysts for the Oxygen Evolution Reaction: A Prisoner of Adsorbate Scaling Relations
Sankara Raman, A.
,
Lehman, C.
,
Vojvodic, A.
(509w) Self-Assembled Monolayers for Electrocatalysis: A Theoretical Study of CO2 Reduction Reaction to CO over Ag
Yang, Z.
,
Che, F.
,
Gu, Z.
(509bd) Shell Thickness Optimization for Silicalite-1 Encapsulated Ni/Mg Catalysts for Hydrocarbon Reforming: A Modeling Study
Gray, B.
,
Kuhn, J.
,
Joseph, B.
(509cx) Grand Canonical Monte Carlo Simulation Methods for Understanding Coke-Resistance Under Dehydrogenation Conditions
Wang, P.
,
Senftle, T.
(509j) Modeling Organic Photoredox Catalyst Reduction Kinetics, Donor-Acceptor Interactions, and Degradation Pathways in CO2 Reduction Catalytic Cycle
Kron, K.
,
Mallikarjun Sharada, S.
(509cr) Neural Networks Learn Fundamental Adsorption Energy Scaling Relations
Wander, B.
,
Ulissi, Z.
(509cc) Mesoporous Iron Gallate Nanocomplex for Adsorption and Degradation of Organic Dyes
Yadav, A.
,
Sharma, A.
,
Kumar Sharma, R.
(509cf) Development of Methods for Consistently Tuning Silica-Encapsulated Gold Core-Shell Nanoparticle Morphology
Saunders, S.
,
Hammond-Pereira, E.
(509f) Synthesis and Evaluation of Mesoporous Carbons (Starbons®) from Colombian Cassava As Catalyst for Fatty Acids Esterification.
Zabala, M.
,
Orjuela, A.
,
Bose, S.
(717d) Low Sooting Tendencies and Structure-Property Relationships of Individual Polyoxymethylene Ethers As Alternative Diesel Fuels
Zhu, J.
,
Chan, F. L.
,
Foust, T. D.
,
Kwon, H.
,
Lucas, S.
,
Pfefferle, L. D.
,
Xuan, Y.
,
Windom, B. C.
,
McEnally, C. S.
(509dj) Interpreting the Optical Absorption Spectra of Gold Nanoclusters By Convolutional Neural Network
Li, J.
,
Chen, T.
,
Cai, P.
,
Ren, Z.
,
Zhu, Y.
,
Xie, J.
,
Wang, X.
(509bl) Sustainable Bromine Generation By Electrochemical Halogen Evolution Using Nitrogen-Doped Carbon Nanostructures
Jain, D.
,
Basu, D.
,
Hightower, J.
,
Co, A.
,
Asthagiri, A.
,
Ozkan, U.
(509bz) Understanding Pd-MO Interfaces in Inverted Catalytic Structures
Freitas De Lima E Freitas, L.
,
Paz Herrera, L.
,
Medlin, J.
,
Nikolla, E.
(509z) Combining Metal Sulfides and Organic Cocatalysts to Overcome the Challenges of Electrochemical CO2 Reduction
Plaisance, C.
,
Khezeli, F.
,
McGovern, M.
(509br) Au Based Ni and Co Bimetallic Core-Shell Nanocatalysts for Room Temperature Selective Decomposition of Hydrous Hydrazine to Hydrogen
Jain, D. P.
(509cw) Accelerating Ammonia Electrooxidation Catalyst Discovery through Interpretable Machine Learning
Pillai, H.
,
Wang, S. H.
,
Xin, H.
,
Achenie, L. E. K.
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