Andreas Heyden - Dissemin

All papers authored by Andreas Heyden

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2016 Jianmin Lu, Min Wang, Xiaochen Zhang, Andreas Heyden

, Feng Wang

β-O-4 Bond Cleavage Mechanism for Lignin Model Compounds over Pd Catalysts Identified by Combination of First-Principles Calculations and Experiments

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Eric Walker, Salai Cheettu Ammal, Gabriel A. Terejanu, Andreas Heyden

Uncertainty Quantification Framework Applied to the Water–Gas Shift Reaction over Pt-Based Catalysts

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Sina Behtash, Jianmin Lu, Osman Mamun

, Christopher T. Williams, John R. Monnier, Andreas Heyden

Solvation Effects in the Hydrodeoxygenation of Propanoic Acid over a Model Pd(211) Catalyst

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Muhammad Faheem, Mohammad Saleheen, Jianmin Lu, Andreas Heyden

Ethylene Glycol Reforming on Pt(111): First-Principles Microkinetic Modeling in Vapor and Aqueous Phases

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Sina Behtash, Jianmin Lu, Eric Walker, Osman Mamun

, Andreas Heyden

Solvent effects in the liquid phase hydrodeoxygenation of methyl propionate over a Pd(1 1 1) catalyst model

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2015 Audrey S. Duke, Ekaterina A. Dolgopolova, Randima P. Galhenage, Salai C. Ammal, Andreas Heyden

, Mark D. Smith, Donna A. Chen, Natalia B. Shustova

Active Sites in Copper-Based Metal–Organic Frameworks: Understanding Substrate Dynamics, Redox Processes, and Valence-Band Structure

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Yuliana K. Lugo-José, Sina Behtash, Marjorie Nicholson, John R. Monnier, Andreas Heyden

, Christopher T. Williams

Unraveling the mechanism of propanoic acid hydrodeoxygenation on palladium using deuterium kinetic isotope effects

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Jianmin Lu, Sina Behtash, Osman Mamun

, Andreas Heyden

Theoretical Investigation of the Reaction Mechanism of the Guaiacol Hydrogenation over a Pt(111) Catalyst

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Sina Behtash, Jianmin Lu, Christopher T. Williams, John R. Monnier, Andreas Heyden

Effect of Palladium Surface Structure on the Hydrodeoxygenation of Propanoic Acid: Identification of Active Sites

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Salai Cheettu Ammal, Andreas Heyden

Reaction kinetics of the electrochemical oxidation of CO and syngas fuels on a Sr 2 Fe 1.5 Mo 0.5 O 6−δ perovskite anode

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2014 Soroosh Pezeshki, Christal Davis, Andreas Heyden

, Hai Lin

Adaptive-Partitioning QM/MM Dynamics Simulations: 3. Solvent Molecules Entering and Leaving Protein Binding Sites

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Muhammad Faheem, Andreas Heyden

Hybrid Quantum Mechanics/Molecular Mechanics Solvation Scheme for Computing Free Energies of Reactions at Metal–Water Interfaces

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Omar Ali Abdelrahman, Andreas Heyden

, Jesse Q. Bond

Analysis of Kinetics and Reaction Pathways in the Aqueous-Phase Hydrogenation of Levulinic Acid To Form γ-Valerolactone over Ru/C

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Yuliana K. Lugo-José, John R. Monnier, Andreas Heyden

, Christopher T. Williams

Hydrodeoxygenation of propanoic acid over silica-supported palladium: effect of metal particle size

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S. C. Ammal, S. Suthirakun, E. Walker, A. Heyden

Combined DFT and microkinetic modeling of H2 and CO electrooxidation on the Sr2Fe1.5Mo0.5O6 (001) perovskite anode

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Suwit Suthirakun, Guoliang Xiao, Salai Cheettu Ammal, Fanglin Chen, Hans-Conrad zur Loye

, Andreas Heyden

Rational design of mixed ionic and electronic conducting perovskite oxides for solid oxide fuel cell anode materials: A case study for doped SrTiO3

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Eric Walker, Salai Cheettu Ammal, Suwit Suthirakun, Fanglin Chen, Gabriel A. Terejanu, Andreas Heyden

Mechanism of sulfur poisoning of Sr2Fe1.5Mo0.5O6-δ perovskite anode under solid oxide fuel cell conditions

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Sina Behtash, Jianmin Lu, Muhammad Faheem, Andreas Heyden

Solvent effects on the hydrodeoxygenation of propanoic acid over Pd(111) model surfaces

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Daniel E. Bugaris, Jason P. Hodges, Ashfia Huq, W. Michael Chance, Andreas Heyden

, Fanglin Chen, Hans-Conrad zur Loye

Investigation of the high-temperature redox chemistry of Sr2Fe1.5Mo0.5O6−δvia in situ neutron diffraction

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Sara Aranifard, Salai Cheettu Ammal, Andreas Heyden

On the importance of metal–oxide interface sites for the water–gas shift reaction over Pt/CeO2 catalysts

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All papers authored by Andreas Heyden