36. A Density Functional Theory Investigation of Ammonia Oxidation on the
M-doped β-Ni(OH)2 (M = Cr, Co, Cu, Fe) Surfaces
S. J. Johnston, R. M. Choueiri, X. Liu, B. J. R. Laframboise, S. W. Tatarchuk,
and L. D. Chen*. J. Phys. Chem. C 2024, Article ASAP in Virtual Special Issue
“Jens K. Nørskov Festschrift”. ChemRxiv Version
35. Nickel-Catalyzed Arylation/Lactonization Cascade Reactions for the Synthesis of Bicyclo[3.2.1]lactones
A. Pounder, E. Neufeld, L. D. Chen*, and W. Tam*. Organometallics 2024, Article ASAP.
34. Understanding the Mechanism of Urea Oxidation from First-Principles Calculations
S. W. Tatarchuk, R. M. Choueiri, A. J. MacKay, S. J. Johnston, W. M. Cooper, K. S. Snyder,
J. J. Medvedev, A. Klinkova*, and L. D. Chen*. ChemPhysChem 2024, Accepted Manuscript in Special Collection Dedicated to Jens Nørskov. ChemRxiv Version
33. Rhodium-Catalyzed Ring-Opening Reactions of Heterobicyclic Akenes with Heteroarene Nucleophiles: An Experimental and Computational Investigation
A. Pounder, E. Neufeld, L. D. Chen*, and W. Tam*. Can. J. Chem. 2024, e-First Article.
32. Vibrational Spectrum Perturbations of Alkanethiol Self Assembled Monolayers with Noble Gases and Chlorinated Species
K. S. Snyder, L. D. Chen*, and D. F. Thomas*. Can. J. Chem. 2024, Just-In Article.
31. Isomer-Specific Solvatochromic and Molecular Rotor Properties of ESIPT-Active Push–Pull Fluorescent Chalcone Dyes
K. T. Regan, A. Pounder, C. Lin, L. D. Chen*, and R. A. Manderville*.
J. Phys. Chem. A 2023, 127, 8365–8373.
30. Iridium/Zinc-Co-Catalyzed Ring-Opening Reactions of Oxabicyclic Alkenes with Indole Nucleophiles: A Combined Experimental and Theoretical Study
A. Pounder, M. Farkas, L. D. Chen*, and W. Tam*.
Organometallics 2023, 42, 780–792.
29. Electrochemical Reduction of Carbon Dioxide at TiO2/Au Nanocomposites
M. N. Hossain, R. M. Choueiri, S. Abner, L. D. Chen*, and A. Chen*.
ACS Appl. Mater. Interfaces 2022, 14, 51889–51899.
28. Favorable Electrocatalytic Ammonia Oxidation Reaction Thermodynamics on the
β-NiOOH(0001) Surface Computed by Density Functional Theory
R. M. Choueiri and L. D. Chen*. J. Phys. Chem. C 2022, 126, 17952–17965.
ChemRxiv Version
27. Reaction-intermediate-induced atomic mobility in heterogeneous metal catalysts for electrochemical reduction of CO2
F. Li, C. Zhou, E. Feygin, P.-N. Roy, L. D. Chen*, and A. Klinkova*.
Phys. Chem. Chem. Phys. 2022, 24, 19432–19442.
26. Iridium-Catalyzed Hydroacylation Reactions of C1-Substituted Oxabenzonorbornadienes with Salicylaldehyde: An Experimental and Computational Study
A. Ho, A. Pounder, K. Valluru, L. D. Chen*, and W. Tam*.
Beilstein J. Org. Chem. 2022, 18, 251–261.
25. Dynamic control of programmable catalysts offers new dimension for rate enhancement
R. M. Choueiri and L. D. Chen*. Chem Catal. 2022, 2, 12–15.
24. Mechanism of Ammonia Oxidation to Dinitrogen, Nitrite, and Nitrate on β-Ni(OH)2 from First-Principles Simulations
R. M. Choueiri, S. W. Tatarchuk, A. Klinkova, and L. D. Chen*.
Electrochem. Sci. Adv. 2021, 2100142. ChemRxiv Version
23. Cations play an essential role in CO2 reduction
L. D. Chen*. Nat. Catal. 2021, 4, 641–642.
22. The Mechanism and Origin of Enantioselectivity in the Rhodium-Catalyzed Asymmetric Ring-Opening Reactions of Oxabicyclic Alkenes with Organoboronic Acids: A DFT Investigation
A. Pounder, W. Tam, and L. D. Chen*. Organometallics 2021, 40, 1588–1597.
21. Inductive Effects in Cobalt-Doped Nickel Hydroxide Electronic Structure Facilitating Urea Electrooxidation
S. W. Tatarchuk, R. M. Choueiri, X. V. Medvedeva, L. D. Chen*, and A. Klinkova*. Chemosphere 2021, 279, 130550.
20. A DFT Study on the Mechanism and Origin of Regioselectivity in the Rhodium/Diene‐Catalyzed Ring‐Opening Reactions of C1‐Substituted Oxabenzonorbornadienes with Arylboronic Acids
A. Pounder, F. Bishop, L. D. Chen*, and W. Tam*. Eur. J. Org. Chem. 2021, 12, 1901–1908.
19. Ruthenium-Catalyzed [2 + 2] versus Homo Diels-Alder [2 + 2 + 2] Cycloadditions of Norbornadiene and Disubstituted Alkynes: A DFT Study
A. Pounder, L. D. Chen*, and W. Tam*. ACS Omega 2021, 6, 900–911.
Prior to Independent Career
18. Embedded Mean-Field Theory for Solution-Phase Transition-Metal Polyolefin Catalysis
L. D. Chen, J. J. Lawniczak, F. Ding, P. J. Bygrave, S. Riahi, F. R. Manby, S. Mukhopadhyay, and T. F. Miller III*. J. Chem. Theory Comput. 2020, 16, 4226–4237.
17. Implications of the Fractional Charge of Hydroxide at the Electrochemical Interface
J. A. Gauthier, L. D. Chen, M. Bajdich, and K. Chan*.
Phys. Chem. Chem. Phys. 2020, 22, 6964–6969.
16. Double layer charging driven CO2 adsorption limits the rate of electrochemical CO2 reduction on Gold
S. Ringe*, C. G. Morales-Guio, L. D. Chen, M. Fields, T. F. Jaramillo, C. Hahn, and K. Chan*. Nat. Commun. 2020, 11, 33.
15. Facile Electron Transfer to CO2 During Adsorption at the Metal | Solution Interface
J. A. Gauthier, M. Fields, M. Bajdich, L. D. Chen, R. B. Sandberg, K. Chan, and J. K. Nørskov*. J. Phys. Chem. C 2019, 123, 29278–29283.
14. Understanding the apparent fractional charge of protons in the aqueous electrochemical double layer
L. D. Chen, M. Bajdich, J. M. P. Martirez, C. M. Krauter, J. A. Gauthier, E. A. Carter, A. C. Luntz, K. Chan, and J. K. Nørskov*. Nat. Commun. 2018, 9, 3202.
13. Theoretical Investigations of the Electrochemical Reduction of CO on Single Metal Atoms Embedded in Graphene
C. Kirk, L. D. Chen, S. Siahrostami, M. Karamad, M. Bajdich, J. Voss, J. K. Nørskov, and K. Chan*. ACS Cent. Sci. 2017, 3, 1286–1293.
12. Promoter Effects of Alkali Metal Cations on the Electrochemical Reduction of Carbon Dioxide
J. Resasco, L. D. Chen, E. Clark, C. Tsai, C. Hahn, T. F. Jaramillo, K. Chan, and A. T. Bell*.
J. Am. Chem. Soc. 2017, 139, 11277–11287.
11. Solvation Effects for Oxygen Evolution Reaction Catalysis on IrO2(110)
J. A. Gauthier, C. F. Dickens, L. D. Chen, A. D. Doyle, and J. K. Nørskov*.
J. Phys. Chem. C 2017, 121, 11455–11463.
10. Scaling Relations for Adsorption Energies on Doped Molybdenum Phosphide Surfaces
M. Fields, C. Tsai, L. D. Chen, F. Abild-Pedersen, J. K. Nørskov, and K. Chan*.
ACS Catal. 2017, 7, 2528–2534.
9. Electric Field Effects in Electrochemical CO2 Reduction
L. D. Chen, M. Urushihara, K. Chan, and J. K. Nørskov*. ACS Catal. 2016, 6, 7133–7139.
8. Direct Water Decomposition on Transition Metal Surfaces
C. Tsai, K. Lee, J. S. Yoo, X. Liu, H. Aljama, L. D. Chen, C. F. Dickens, T. S. Geisler, C. J. Guido, T. M. Joseph, C. S. Kirk, A. A. Latimer, B. Loong, R. J. McCarty, J. H. Montoya, L. Power, A. R. Singh, J. J. Willis, M. M. Winterkorn, M. Yuan, Z.-J. Zhao, J. Wilcox, and J. K. Nørskov*. Catal. Lett. 2016, 146, 718–724.
7. Theoretical Limits to the Anode Potential in Aqueous Mg–Air Batteries
L. D. Chen, J. K. Nørskov, and A. C. Luntz*. J. Phys. Chem. C 2015, 119, 19660–19667.
6. Al–Air Batteries: Fundamental Thermodynamic Limitations from First-Principles Theory
L. D. Chen, J. K. Nørskov, and A. C. Luntz*. J. Phys. Chem. Lett. 2014, 6, 175–179.
5. A mechanistic study of the [La2(OCH3)2]4+- and [(1,5,9-triazacyclododecane):Zn:(OCH3)]+-catalyzed methanolysis of carbonates: possible application for the recycling of bisphenol A polycarbonates
A. A. Neverov, L. D. Chen, S. George, D. Simon, C. I. Maxwell, and R. S. Brown*.
Can. J. Chem. 2013, 19, 1139–1146.
4. Tuning the Photoisomerization of an NC-Chelate Organoboron Compound with a Metal–Acetylide Unit
N. Wang, S.-B. Ko, J.-S. Lu, L. D. Chen, and S. Wang*. Chem. Eur. J. 2013, 19, 5314–5323.
3. Photo- and Thermal-induced Multistructural Transformation of 2-Phenylazolyl Chelate Boron Compounds
Y.-L. Rao, H. Amarne, L. D. Chen, M. L. Brown, N. J. Mosey, and S. Wang*.
J. Am. Chem. Soc. 2013, 135, 3407–3410.
2. Stepwise Intramolecular Photoisomerization of NHC-Chelate Dimesitylboron Compounds with C–C Bond Formation and C–H Bond Insertion
Y.-L. Rao, L. D. Chen, N. J. Mosey, and S. Wang*.
J. Am. Chem. Soc. 2012, 134, 11026–11034.
