Publications — CHASE Solar Hub

2024

Featured

Oxidation Temperature-Dependent Electrochemical Doping of WO₃ Deposited via Atomic Layer Deposition

Bredar, A. R. C.; Margavio, H. R. M.; Donley, C. L.; Spinner, N.; Amin, N.; Parsons, G. N.; Dempsey, J. L. Oxidation Temperature-Dependent Electrochemical Doping of WO3 Deposited via Atomic Layer Deposition, J. Phys. Chem. C., 2024, In press. https://doi.org/10.1021/acs.jpcc.4c06105

Statistical analysis of HAADF-STEM images to determine the surface coverage and distribution of immobilized molecular complexes

Jeon, S.; Nedzbala, H.; Huffman, B.; Pearce, A.; Donley, C.; Jia, X.; Bein, G.; Choi, J. H.; Durand, N.; Atallah, H.; Castellano, F.; Dempsey, J. L.; Mayer, J.; Hazari, N. Statistical Analysis of HAADF-STEM Images to Determine the Surface Coverage and Distribution of Immobilized Molecular Complexes. Matter, 2024, In press. https://doi.org/10.1016/j.matt.2024.11.013

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Enhanced methanol production from photothermal CO₂ reduction via multilevel interface design

Wang, H.; Shang, B.; Choi, C.; Jeon, S.; Gao, Y.; Wang, T.; Harmon, N. J.; Liu, M.; Stach, E. A.; Wang, H. Enhanced methanol production from photothermal CO2 reduction via multilevel interface design, Nano. Res., 2024, Just accepted manuscript. https://doi.org/10.26599/NR.2025.94907160

Room-Temperature Formate Ester Transfer Hydrogenation Enables an Electrochemical/Thermal Organometallic Cascade for Methanol Synthesis from CO₂

Fernández, S.; Assaf, E.; Ahmad, S.; Travis, B.; Curley, J.; Hazari, N.; Ertem, M. Z.; Miller, A. J. M. Room Temperature Formate Ester Transfer Hydrogenation Enables an Electrochemical-Thermal Organometallic Cascade for Methanol Synthesis from CO2. Angew. Chem. Int. Ed. 2024, In press. https://doi.org/10.1002/anie.202416061

Lagrangian formulation of nuclear–electronic orbital Ehrenfest dynamics with real-time TDDFT for extended periodic systems

Xu, J.; Zhou, R.; Li. T. E.; Hammes-Schiffer, S.; Kanai, Y. Lagrangian Formulation of Nuclear-Electronic Orbital Ehrenfest Dynamics with Real-time TDDFT for Extended Periodic Systems. J. Chem. Phys., 2024, 161, 194109. https://doi.org/10.1063/5.0230570

Catalytic Reduction of Carbon Monoxide to Liquid Fuels with Recyclable Hydride Donors

Concepcion, J. J.; Sampaio, R. N.; Meyer, G. J. “Catalytic Reduction of Carbon Monoxide to Liquid Fuels with Recyclable Hydride Donors” ACS Catal., 2024, (14), 16562-16569. https://doi.org/10.1021/acscatal.4c05083

Fast Catalysis at Low Overpotential: Designing Efficient Dicationic Re(bpy²⁺)(CO)₃I Electrocatalysts for CO₂ Reduction

Rotundo, L.; Ahmad, S.; Cappuccino, C.; Pearce, A. J.; Nedzbala, H.; Bottum, S. R.; Mayer, J. M.; Cahoon, J. F.; Grills, D. C.; Ertem, M. Z.; Manbeck, G. F. Fast Catalysis at Low Overpotential: Designing Efficient Dicationic Re(bpy²⁺)(CO)₃I Electrocatalysts for CO₂ Reduction, J. Am. Chem. Soc., 2024, 146 (36), 24742-24747. https://doi.org/10.1021/jacs.4c08084

Trust Not Verify? The Critical Need for Data Curation Standards in Materials Informatics

Hart, M.; Idanwekhai, K.; Alves, V. M.; Miller, A. J. M.; Dempsey, J. L.; Cahoon, J. F.; Chen, C-H.; Winkler, D. A.; Muratov, E. N.; Tropsha, A. Trust Not Verify? The Critical Need for Data Curation Standards in Materials Informatics, Chem. Mater., 2024, 36 (19), 9046-9055. https://doi.org/10.1021/acs.chemmater.4c00981

Diazonium-Functionalized Silicon Hybrid Photoelectrodes: Film Thickness and Composition Effects on Photoelectrochemical Behavior

Teitsworth, T. S.; Fang, H.; Harvey, A. K.; Orr, A. D.; Donley, C. L.; Fakhraai, Z.; Atkin, J. M.; Lockett, M. R. Diazonium-Functionalized Silicon Hybrid Photoelectrodes: Film Thickness and Composition Effects on Photoelectrochemical Behavior, Langmuir, 2024, 40 (34), 18133-18141. https://doi.org/10.1021/acs.langmuir.4c01787

Covalent Functionalization of Silicon with Plasma-Grown “Fuzzy” Graphene: Robust Aqueous Photoelectrodes for CO₂ Reduction by Molecular Catalysts

Oyetade, O.; Wang, Y.; He, S.; Margavio, H.; Bottum, S.; Rooney, C.; Wang, H.; Donley, C.; Parsons, G.; Cohen-Karni, T.; Cahoon, J. Covalent Functionalization of Silicon with Plasma-grown ‘Fuzzy’ Graphene: Robust Aqueous Photoelectrodes for CO2 Reduction by Molecular Catalysts, ACS Appl. Mater. Interfaces, 2024, 16 (29), 37885–37895. https://doi.org/10.1021/acsami.4c04691

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Formal Oxidation States and Coordination Environments in the Catalytic Reduction of CO to Methanol

Barba-Nieto, I.; Müller, A. V.; Titus, C. J.; Wierzbicki, D.; Jaye, C.; Ertem, M. Z.; Meyer, G. J.; Concepcion, J. J.; Rodriguez, J. Formal Oxidation States and Coordination Environments in the Catalytic Reduction of CO to Methanol, ACS Energy Lett., 2024, 9, 3815-3817. https://pubs.acs.org/doi/10.1021/acsenergylett.4c01269

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Proton-Coupled Electron Transfer Mechanisms for CO₂ Reduction to Methanol Catalyzed by Surface-Immobilized Cobalt Phthalocyanine

Hutchison, P.; Smith, L. E.; Rooney, C. L.; Wang, H.; Hammes-Schiffer, S. Proton-Coupled Electron Transfer Mechanisms for CO2 Reduction to Methanol Catalyzed by Surface-Immobilized Cobalt Phthalocyanine, J. Am. Chem. Soc., 2024, 146 (29) 20230-20240. https://doi.org/10.1021/jacs.4c05444

Open Circuit Potential Method for Thermodynamic Hydricity Measurements of Metal Hydrides

Smith, A. M.; Miller, A. J. M. Open Circuit Potential Method for Thermodynamic Hydricity Measurements of Metal Hydrides, 2024, In Press. https://doi.org/10.1021/acs.organomet.4c00144

Absolute band-edge energies are over-emphasized in the design of photoelectrochemical materials

Kaufman, A. J.; Nielander, A. C.; Meyer, G. J.; Maldonado, S.; Ardo, S.; Boettcher, S. W. Absolute band-edge energies are over-emphasized in the design of photoelectrochemical materials, 2024, Nat. Catal., 7, 615-623. https://doi.org/10.1038/s41929-024-01161-0

Electrocatalytic methylation and amination reactions with CO₂ and NOₓʸ–

Rooney, C.L.; Wang, H. Electrocatalytic methylation and amination reactions with CO₂ and NOₓʸ⁻, 2024, Nat. Synth., 3, 792-793. https://doi.org/10.1038/s44160-024-00565-x

Reductive Dynamic and Static Excited State Quenching of a Homoleptic Ruthenium Complex Bearing Aldehyde Groups

Dickenson, J. C.; Grills, D. C.; Polyansky, D. E.; Meyer, G. J. Reductive Dynamic and Static Excited State Quenching of a Homoleptic Ruthenium Complex Bearing Aldehyde Groups, J. Phys. Chem. A. 2024, In Press. https://doi.org/10.1021/acs.jpca.4c01090

Long-range electrostatic effects from intramolecular Lewis acid binding influence the redox properties of cobalt–porphyrin complexes

Alvarez-Hernandez, J. L.; Zhang, X.; Cui, K.; Deziel, A. P.; Hammes-Schiffer, S.; Hazari, N.; Piekut, N.; Zhong, M. Long-range electrostatic effects from intramolecular Lewis acid binding influence the redox properties of cobalt–porphyrin complexes. Chem. Sci., 2024, 15, 6800-6815. https://doi.org/10.1039/D3SC06177A

Photoelectrochemical Proton-Coupled Electron Transfer of TiO₂ Thin Films on Silicon

Nedzbala, H. S.; Westbroek, D.; Margavio, H. R. M.; Yang, H.; Noh, H.; Magpantay, S. V.; Donley, C. L.; Kumbhar, A. S.; Parsons, G. N.; Mayer, J. M. Photoelectrochemical Proton-Coupled Electron Transfer of TiO2 Thin Films on Silicon. J. Am. Chem. Soc., 2024, 146 (15), 10559-10572. https://doi.org/10.1021/jacs.4c00014

Methyl Termination of p-Type Silicon Enables Selective Photoelectrochemical CO₂ Reduction by a Molecular Ruthenium Catalyst

Bein, G. P.; Stewart, M. A.; Assad, E. A.; Tereniak, S. J.; Sampaio, R. N.; Miller, A. J. M.; Dempsey, J. L. Methyl Termination of p-Type Silicon Enables Selective Photoelectrochemical CO₂ Reduction by a Molecular Ruthenium Catalyst. ACS Energy Lett., 2024, 9 (4), 1777-1785. https://doi.org/10.1021/acsenergylett.4c00122

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Coordination of Copper within a Crystalline Carbon Nitride and its Catalytic Reduction of CO₂

Pauly, M.; Deegbey, M.; Keller, L.; McGuigan, S.; Dianat, G.; Wong, J. C.; Murphy, C. G. F.; Shang, B.; Wang, H.; Cahoon, J. F.; Sampaio, R.; Kanai, Y.; Parsons, G.; Jakubikova, E.; Maggard, P. A. Coordination of Copper within a Crystalline Carbon Nitride and its Catalytic Reduction of CO₂, Dalton Trans., 2024, 53, 6779-6790. https://doi.org/10.1039/D4DT00359D

Reduction of CO to Methanol with Recyclable Organic Hydrides

Müller, A. V.; Ahmad, S.; Sirlin, J. T.; Ertem, M. Z.; Polyansky, D. E.; Grills, D. C.; Meyer, G. J.; Sampaio, R. N.; Concepcion, J. J. Reduction of CO to Methanol with Recyclable Organic Hydrides. J. Am. Chem. Soc., 2024, 146 (15), 10524-10536. https://doi.org/10.1021/jacs.3c14605

Photoelectrochemical CO₂ Reduction to CO Enabled by a Molecular Catalyst Attached to High-Surface-Area Porous Silicon

Jia, X.; Stewart-Jones, E.; Alvarez-Hernandez, J. L.; Bein, G. P.; Dempsey, J. L.; Donley, C. L.; Hazari, N.; Houck, M. N.; Li, M.; Mayer, J. M.; Nedzbala, H. S.; Powers, R. Photoelectrochemical CO2 Reduction to CO Enabled by a Molecular Catalyst Attached to High Surface Area Porous Silicon. J. Am. Chem. Soc., 2024, 146 (12), 7998-8004. https://doi.org/10.1021/jacs.3c10837

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Real-Time Time-Dependent Density Functional Theory for Simulating Nonequilibrium Electron Dynamics

Xu, J.; Carney, T. E.; Zhou, R.; Shepard, C.; Kanai, Y. Real-Time Time-Dependent Density Functional Theory for Simulating Nonequilibrium Electron Dynamics. J. Am. Chem. Soc., 2024, 146 (8), 5011-5029. https://doi.org/10.1021/jacs.3c08226

Tailoring Interfaces for Enhanced Methanol Production from Photoelectrochemical CO₂ Reduction

Shang, B.; Zhao, F.; Suo, S.; Gao, Y.; Sheehan, C.; Jeon, S.; Li, J.; Rooney, C. L.; Leitner, O.; Xiao, L.; Fan, H.; Elimelech, M.; Wang, L.; Meyer, G. J.; Stach, E. A.; Mallouk, T. E.; Lian, T.; Wang, H. Tailoring Interfaces for Enhanced Methanol Production from Photoelectrochemical CO₂ Reduction J. Am. Chem. Soc., 2024, 146 (3), 2267-2274 https://doi.org/10.1021/jacs.3c13540

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Direct Evidence for a Sequential Electron Transfer–Proton Transfer Mechanism in the PCET Reduction of a Metal Hydroxide Catalyst

Kessinger, M. C.; Xu, J.; Cui, K.; Loague, Q.; Soudackov, A. V.; Hammes-Schiffer, S.; Meyer, G. J. Direct Evidence for a Sequential Electron Transfer–Proton Transfer Mechanism in the PCET Reduction of a Metal Hydroxide Catalyst, J. Am. Chem. Soc., 2024, 146 (3) 1742-1747. https://doi.org/10.1021/jacs.3c10742

2023

Featured

First-Principles Approach for Coupled Quantum Dynamics of Electrons and Protons in Heterogeneous Systems

Xu, J.; Zhou, R.; Blum, V.; Li, T. E.; Hammes-Schiffer, S.; Kanai, Y. First-Principles Approach for Coupled Quantum Dynamics of Electrons and Protons in Heterogeneous Systems. Phys. Rev. Lett. 2023, 131, 238002. https://doi.org/10.1103/PhysRevLett.131.238002

Selected as Editors’ Suggestion

Discovery of a Hybrid System for Photocatalytic CO₂ Reduction via Attachment of a Molecular Cobalt-Quaterpyridine Complex to a Crystalline Carbon Nitride

McGuigan, S.; Tereniak, S.; Donley, C.; Smith, A.; Jeon, S.; Zhao, F.; Sampaio, R.; Pauly, M.; Keller, L.; Collins, L.; Parsons, G.; Lian, T.; Stach, E.; Maggard, P. A. Discovery of a Hybrid System for Photocatalytic CO2 Reduction via Attachment of a Molecular Cobalt-Quaterpyridine Complex to a Crystalline Carbon Nitride. ACS Appl. Energy Materials. 2023, 6 (20), 10542-10553. https://doi.org/10.1021/acsaem.3c01670.

Well-Defined Iron Sites in Crystalline Carbon Nitride

Genoux, A.; Pauly, M.; Rooney, C. L.; Choi, C.; Shang, B.; McGuigan, S. Fataftah, M. S.; Kayser, Y.; Suhr, S. C. B.; DeBeer, S.; Wang, H.; Maggard, P. A.; Holland, P. L. Well-Defined Iron Sites in Crystalline Carbon Nitride. J. Am. Chem. Soc. 2023, 145 (38), 20739–20744. https://doi.org/10.1021/jacs.3c05417.

General Kinetic Model for pH Dependence of Proton-Coupled Electron Transfer: Application to an Electrochemical Water Oxidation System

Cui, K.; Soudackov, A. V.; Kessinger, M. C.; Xu, J.; Meyer, G. J.; Hammes-Schiffer, S. General Kinetic Model for pH Dependence of Proton-Coupled Electron Transfer: Application to an Electrochemical Water Oxidation System. J. Am. Chem. Soc. 2023, 145 (35), 19321–19332. https://doi.org/10.1021/jacs.3c05535

Synthesis and Surface Attachment of Molecular Re(I) Hydride Species with Silatrane Functionalized Bipyridyl Ligands

Jia, X.; Cui, K.; Alverez-Hernandez, J. L.; Donley, C. L.; Gang, A.; Hammes-Sciffer, S.; Hazari, N.; Jeon, S.; Mayer, J. M.; Nedzbala, H. S.; Shang, B.; Stach, E. A.; Stewart-Jones, E.; Wang, H.; Williams, A. Synthesis and Surface Attachment of Molecular Re(I) Hydride Species with Silatrane Functionalized Bipyridyl Ligands. Organometallics, 2023, 42 (16), 2238-2250. https://doi.org/10.1021/acs.organomet.3c00235

Ethanol Upgrading to n-Butanol Using Transition-Metal-Incorporated Poly(triazine)imide Frameworks

Cypher, S. M.; Pauly, M.; Castro, L. G.; Donley, C. L.; Maggard, P. A.; Goldberg, K. I. Ethanol Upgrading to n-Butanol Using Transition-Metal-Incorporated Poly(triazine)imide Frameworks. ACS Appl. Mater. Interfaces 2023, 15 (30) 36384–36393. https://doi.org/10.1021/acsami.3c07396

Direct Vibrational Stark Shift Probe of Quasi-Fermi Level Alignment in Metal Nanoparticle Catalyst-Based Metal–Insulator–Semiconductor Junction Photoelectrodes

Suo, S.; Sheehan, C.; Zhao, F.; Xiao, L.; Xu, Z.; Meng, J.; Mallouk, T. E.; Lian, T. Direct Vibrational Stark Shift Probe of Quasi-Fermi Level Alignment in Metal Nanoparticle Catalyst-Based Metal–Insulator–Semiconductor Junction Photoelectrodes. J. Am. Chem. Soc., 2023, 145 (26) 14260-14266. https://doi.org/10.1021/jacs.3c02333

Solar-Driven CO₂ Conversion via Optimized Photothermal Catalysis in a Lotus Pod Structure

Wang, H.; Fu, S.; Shang, B.; Jeon, S.; Zhong, Y.; Harmon, N. J.; Choi, C.; Stach, E.; Wang, H. Solar-Drive CO2 Conversion via Optimized Photothermal Catalysis in a Lotus Pod Structure. Angew. Chem. Int. Ed. 2023, 62 (30), e202305251. https://doi.org/10.1002/anie.202305251

Lewis Acids and Electron-Withdrawing Ligands Accelerate CO Coordination to Dinuclear Cu(I) Compounds

Johnsen, W. D.; Deegbey, M.; Grills, D. C.; Polyansky, D. E.; Goldberg, K. I.; Jakubikova, E.; Mallouk, T. E. Lewis Acids and Electron-Withdrawing Ligands Accelerate CO Coordination to Dinuclear Cu(I) Compounds Inorg. Chem. 2023, 62 (23) 9146-9157. https://doi.org/10.1021/acs.inorgchem.3c01003

Synthesis of new chelating phosphines containing an aryl chloride group

Genoux, A.; DiPrimio, D. J.; Tereniak, S. J.; Holland, P. Synthesis of new chelating phosphines containing an aryl chloride group. Synthesis 2023, In press. https://doi.org/10.1055/a-2090-8316

Multi-Electron Transfer at H-Terminated p-Si Electrolyte Interfaces: Large Photovoltages under Inversion Conditions

Keller, N. D.; Vechi, P.; Grills, D. C.; Polyansky, D. E.; Bein, G. P.; Dempsey, J. L.; Cahoon, J. F.; Parsons, G. N.; Sampaio, R. N.; Meyer, G. J. Multi-Electron Transfer at H-Terminated p-Si Electrolyte Interfaces: Large Photovoltages under Inversion Conditions. J. Am. Chem. Soc. 2023, 145 (20), 11282-11292. https://doi.org/10.1021/jacs.3c01990

A Dicationic fac-Re(bpy)(CO)₃Cl for CO₂ Electroreduction at a Reduced Overpotential

Rotundo, L.; Ahmad, S.; Cappuccino, C.; Polyansky, D. E.; Ertem, M. Z.; Manbeck, G. F. A Dicationic fac-Re(bpy)(CO)₃Cl for CO₂ Electroreduction at a Reduced Overpotential. Inorg. Chem. 2023, 62 (20), 7877-7889. https://doi.org/10.1021/acs.inorgchem.3c00624

Synergizing Electron and Heat Flows in Photocatalyst for Direct Conversion of Captured CO₂

Choi, C.; Zhao, F.; Hart, J.. L; Gao, Y.; Menges, F.; Rooney, C. L.; Harmon, N. J.; Shang, B.; Xu, Z.; Suo, S.; Sam, Q.; Cha, J. J.; Lian, T.; Wang, H. Synergizing Electron and Heat Flows in Photocatalyst for Direct Conversion of Captured CO₂ Angew. Chem. Int. Ed. 2023, 62, e202302152. https://onlinelibrary.wiley.com/doi/10.1002/anie.202302152

Bonds over Electrons: Proton Coupled Electron Transfer at Solid–Solution Interfaces

Mayer, J. M. J. Am. Chem. Soc. 2023, 145 (13) 7050-7064. https://doi.org/10.1021/jacs.2c10212

In Situ Attenuated Total Reflectance Infrared Spectroelectrochemistry (ATR-IR-SEC) for the Characterization of Molecular Redox Processes on Surface-Proximal Doped Silicon ATR Crystal Working Electrode

Bottum, S. R; Teitsworth, T. S.; Han, Q.; Orr, A. D.; Jin-Sung Park, J.-S.; Jia, X.; Cappuccino, C.; Layne, B. H.; Hazari, N.; Concepcion, J. J.; Donley, C. L.; Polyansky, D. E.; Lockett, M. R.; Cahoon, J. F.; Grills, D. C. J. Phys. Chem. C 2023, 127 (14), 6690-6702. https://pubs.acs.org/doi/10.1021/acs.jpcc.2c08991

Characterizing Density and Spatial Distribution of Trap States in Ta₃N₅ Thin Films for Rational Defect Passivation

Rudd, P. N.; Tereniak, S. J.; Lopez, R. ACS Appl. Mater. Interfaces 2023, 15 (6), 7969–7977 https://doi.org/10.1021/acsami.2c19275

Synthesis and Surface Attachment of Molecular Re(I) Complexes Supported by Functionalized Bipyridyl Ligands

Jia, X.; Nedzbala, H. S.; Bottum, S. R.; Cahoon, J. F.; Concepcion, J. J.; Donley, C. L.; Gang, A.; Han, Q.; Hazari, N.; Kessinger, M. C.; Lockett, M. R.; Mayer, J. M.; Mercado, B. Q.; Meyer, G. J.; Pearce, A. J.; Rooney, C. L.; Sampaio, R. N.; Shang, B.; Wang, H. Inorg. Chem. 2023, 62 (5) 2359-2375 https://doi.org/10.1021/acs.inorgchem.2c04137

Quantum Confinement and Decoherence Effect on Excited Electron Transfer at the Semiconductor–Molecule Interface: A First-Principles Dynamics Study

Wong, J. C.; Kanai, Y. J. Phys. Chem. C 2023, 127 (1), 532–541. https://doi.org/10.1021/acs.jpcc.2c05657

Surface Immobilization of a Re(I) Tricarbonyl Phenanthroline Complex to Si(111) through Sonochemical Hydrosilylation

Huffman, B. L.; Bein, G. P.; Atallah, H.; Donley, C. L.; Alameh, R. T.; Wheeler, J. P.; Durand, N.; Harvey, A. K.; Kessinger, M. C.; Chen, C. Y.; Fakhraai, Z.; Atkin, J. M.; Castellano, F. N.; Dempsey, J. L. Surface Immobilization of a Re(I) Tricarbonyl Phenanthroline Complex to Si(111) through Sonochemical Hydrosilylation. ACS Appl. Mater. Interfaces. 2023, 15, 984−996. https://doi.org/10.1021/acsami.2c17078

Aqueous Photoelectrochemical CO₂ Reduction to CO and Methanol over a Silicon Photocathode Functionalized with a Cobalt Phthalocyanine Molecular Catalyst

Shang, B.; Rooney, C. L.; Gallagher, D. J.; Wang, B.; Krayev, A.; Shema, H.; Leitner, O.; Harmon, N. J.; Xiao, L.; Sheehan, C.; Bottum,. S. R.; Gross, E.; Cahoon, J. F.; Mallouk, T. E.; Wang, H. Angew. Chem. Int. Ed. 2023, 62, e202215213. https://doi.org/10.1002/anie.202215213

2022

Featured

Efficient electrocatalytic valorization of chlorinated organic water pollutant to ethylene

Choi, C., Wang, X., Kwon, S. Hart, J. L.; Rooney, C. L.; Harmon, N. J.; Sam, Q. P.; Cha, J. J.; Goddard III, W. A.; Elimelech, M.; Wang, H. Nat. Nanotechnol. 2022 18, 160–167 https://doi.org/10.1038/s41565-022-01277-z

Reorganization Energies for Interfacial Proton-Coupled Electron Transfer to a Water Oxidation Catalyst

Kessinger, M.; Soudackov, A. V.; Schneider, J.; Bangle, R. E.; Hammes-Schiffer, S.; Meyer, G. J. J. Am. Chem. Soc. 2022, 144 (44), 20514–20524. https://doi.org/10.1021/jacs.2c09672

Accessing and Photo-Accelerating Low-Overpotential Pathways for CO₂ Reduction: A Bis-Carbene Ruthenium Terpyridine Catalyst

Assaf, E. A.; Gonell, S.; Chen, C-H.; Miller, A. J. M. ACS Catal. 2022, 12 (20) 12596–12606. https://doi.org/10.1021/acscatal.2c03651

An atomistic picture is worth a thousand words: New details on supported molecular catalysts

Stewart-Jones, E.; Kurtz, D. A. Matter 2022, 5 (8), 2553-2555. https://doi.org/10.1016/j.matt.2022.07.005

Discovery and Development of Semiconductors for Photoelectrochemical Energy Conversion

Maggard, P. A. Eds. Springer Nature: 2023; In Press, Aug 2022. ISBN-13: 978-3030637125; ISBN-10: 3030637123

Restructuring and integrity of molecular catalysts in electrochemical CO₂ reduction

Rooney, C.L.; Wu, Y.; Gallagher, D.J.; Wang, H. Nat. Sci. 2022, e20210628, https://doi.org/10.1002/ntls.20210628

Accelerating discovery of photoactive materials

Gregoire, J. M.; Ertem, M. Z. J. Phys. D: Appl. Phys. 2022, 55, 323003. https://doi.org/10.1088/1361-6463/ac6f97

Nuclear–electronic orbital approach to quantization of protons in periodic electronic structure calculations

Xu, J.; Zhou, R.; Tao, Z.; Malbon, C.; Blum, V.; Hammes-Schiffer, S.; Kanai, Y. J. Chem. Phys., 2022, 156, 224111. https://doi.org/10.1063/5.0088427

Monolayer Molecular Functionalization Enabled by Acid–Base Interaction for High-Performance Photochemical CO₂ Reduction

Shang, B.; Zhao, F.; Choi, C.; Jia, X.; Pauly, M.; Wu, Y.; Tao, Z.; Zhong, Y.; Harmon, N.; Maggard, P. A.; Lian, T.; Hazari, N.; Wang, H. ACS Energy Letters 2022, 7, 2265-2272. https://doi.org/10.1021/acsenergylett.2c01147

Unveiling the complex configurational landscape of the intralayer cavities in a crystalline carbon nitride

Pauly, M.; Kröger, J.; Duppel, V.; Murphey, C.; Cahoon, J.; Lotsch, B. V.; Maggard, P. A. Chem. Sci. 2022, 13, 3187-3193. https://doi.org/10.1039/D1SC04648A

Free Energy Dependencies for Interfacial Electron Transfer from Tin-Doped Indium Oxide (ITO) to Molecular Photoredox Catalysts

Bangle, R. E.; Schneider, J.; Loague, Q.; Kessinger, M.; Müller, A. V.; Meyer, G. J. ECS J. Solid State Sci. Technol. 2022, 11, 025003. https://iopscience.iop.org/article/10.1149/2162-8777/ac5169

Enabling Practical Nanoparticle Electrodeposition from Aqueous Nanodroplets

Reyes-Morales, J.; Vanderkwaak, B. T.; Dick, J. E. Nanoscale, 2022, 14, 2750-2757. https://doi.org/10.1039/D1NR08045H

2021

Featured

Accessing Organonitrogen Compounds via C-N Coupling in Electrocatalytic CO₂ Reduction

Tao, Z.; Rooney, C. L.; Liang, Y.; Wang, H. J. Am. Chem. Soc. 2021, 143 (47) 19630-19642. https://doi.org/10.1021/jacs.1c10714

Electrochemical Reductive N-Methylation with CO Enabled by A Molecular Catalyst

Rooney, C.; Wu, Y.; Tao, Z.; Wang, H. J. Am. Chem. Soc. 2021, 143 (47), 19983-19991. https://doi.org/10.1021/jacs.1c10863

Mechanistic Investigation of a Visible Light Mediated Dehalogenation/ Cyclisation Reaction using Fe(III), Ir(III) & Ru(II) Photosensitizers

Aydogan, A.; Bangle, R. E.; Kreijger, S. D.; Dickenson, J. C., Singleton, M. L., Cauët, E.; Cadranel, A.; Meyer, G. J.; Elias, B.; Sampaio, R. N., Troian-Gautier, L. Catal. Sci. Technol. 2021, 11 (24), 8037-8051. https://doi.org/10.1039/D1CY01771C

Accessing Photoredox Transformations with an Iron(III) Photosensitizer and Green Light

Aydogan, A.; Bangle, R. E.; Cadranel, A.; Turlington, M. D.; Conroy, D. T.; Cauët, E.; Singleton, M. L.; Meyer, G. J.; Sampaio, R. N.; Elias, B.; Troian-Gautier, L. J. Am. Chem. Soc. 2021, 143 (38), 15661-15673. https://doi.org/10.1021/jacs.1c06081

Determining the Overpotential of Electrochemical Fuel Synthesis Mediated by Molecular Catalysts: Recommended Practices, Standard Reduction Potentials, and Challenges

Stratakes, B. M.; Dempsey, J. L.; Miller, A. J. M. ChemElectroChem. 2021, 8 (22), 4161-4180. https://doi.org/10.1002/celc.202100576

Top Downloaded Article in ChemElectroChem

Electrodeposition of Ligand-Free Copper Nanoparticles from Aqueous Nanodroplets

Tarolla, N.; Voci, S.; Reyes-Morales, J.; Pendergast, A. D.; Dick, J. E. J. Mater. Chem. A. 2021, 9 (35), 20048-20057. https://doi.org/10.1039/D1TA02369A

A Vision for Sustainable Energy: CHASE

Dempsey, J. L.; Heyer, C. M.; Meyer, G. J. Electrochem. Soc. Interface 2021, 30 (1), 65-68. http://dx.doi.org/10.1149/2.F10211if

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