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Theoretical Insights into Heterogeneous (Photo)electrochemical CO2 Reduction

Chemical reviews, 2019-06, Vol.119 (11), p.6631-6669

2019

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Defect-Mediated Charge-Carrier Trapping and Nonradiative Recombination in WSe2 Monolayers

Journal of the American Chemical Society, 2019-07, Vol.141 (26), p.10451-10461

2019

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Embedded Correlated Wavefunction Schemes: Theory and Applications

Accounts of chemical research, 2014-09, Vol.47 (9), p.2768-2775

2014

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Our Role in Solving Global Challenges: An Opinion

Journal of the American Chemical Society, 2024-08, Vol.146 (31), p.21193-21195

Carter, Emily A.

2024

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The technological and economic prospects for CO2 utilization and removal

Nature (London), 2019-11, Vol.575 (7781), p.87-97

2019

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Unraveling Oxygen Evolution on Iron-Doped β‑Nickel Oxyhydroxide: The Key Role of Highly Active Molecular-like Sites

Journal of the American Chemical Society, 2019-01, Vol.141 (1), p.693-705

2019

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New concepts and modeling strategies to design and evaluate photo-electro-catalysts based on transition metal oxides

Chemical Society reviews, 2013-01, Vol.42 (6), p.2401-2422

2013

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Quantifying hot carrier and thermal contributions in plasmonic photocatalysis

Science (American Association for the Advancement of Science), 2018-10, Vol.362 (6410), p.69-72

2018

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Challenges in Modeling Materials Properties Without Experimental Input

Science (American Association for the Advancement of Science), 2008-08, Vol.321 (5890), p.800-803

Carter, Emily A

2008

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Water Oxidation on Pure and Doped Hematite (0001) Surfaces: Prediction of Co and Ni as Effective Dopants for Electrocatalysis

Journal of the American Chemical Society, 2012-08, Vol.134 (32), p.13296-13309

2012

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Surface-Plasmon-Induced Ammonia Decomposition on Copper: Excited-State Reaction Pathways Revealed by Embedded Correlated Wavefunction Theory

ACS nano, 2019-09, Vol.13 (9), p.9944-9957

2019

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The Holy Grail: Chemistry Enabling an Economically Viable CO2 Capture, Utilization, and Storage Strategy

Accounts of chemical research, 2017-03, Vol.50 (3), p.472-475

2017

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Influence of Weak Brønsted Acids on Electrocatalytic CO2 Reduction by Manganese and Rhenium Bipyridine Catalysts

ACS catalysis, 2015-02, Vol.5 (2), p.900-908

2015

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Facet-Independent Oxygen Evolution Activity of Pure β‑NiOOH: Different Chemistries Leading to Similar Overpotentials

Journal of the American Chemical Society, 2020-02, Vol.142 (7), p.3600-3612

2020

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First-Principles Predictions of the Structure, Stability, and Photocatalytic Potential of Cu2O Surfaces

The journal of physical chemistry. B, 2013-12, Vol.117 (49), p.15750-15760

2013

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Autobiography of Emily A. Carter

Journal of physical chemistry. C, 2021-03, Vol.125 (8), p.4333-4341

Carter, Emily A

2021

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Quantum mechanical embedding theory based on a unique embedding potential

The Journal of chemical physics, 2011-04, Vol.134 (15), p.154110-154110-11

2011

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Charting C–C coupling pathways in electrochemical CO2 reduction on Cu(111) using embedded correlated wavefunction theory

Proceedings of the National Academy of Sciences - PNAS, 2022-11, Vol.119 (44), p.1-e2202931119

2022

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Microkinetic model for pH- and potential-dependent oxygen evolution during water splitting on Fe-doped β-NiOOH

Energy & environmental science, 2020-12, Vol.13 (12), p.4962-4976

2020

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Rationalizing the Hot-Carrier-Mediated Reaction Mechanisms and Kinetics for Ammonia Decomposition on Ruthenium-Doped Copper Nanoparticles

Journal of the American Chemical Society, 2019-08, Vol.141 (34), p.13320-13323

2019

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Understanding the Effects of Cd and Ag Doping in Cu2ZnSnS4 Solar Cells

Chemistry of materials, 2018-07, Vol.30 (14), p.4543-4555

2018

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Orbital-free density functional theory for materials research

Journal of materials research, 2018-04, Vol.33 (7), p.777-795

2018

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Mechanistic Contrasts between Manganese and Rhenium Bipyridine Electrocatalysts for the Reduction of Carbon Dioxide

Journal of the American Chemical Society, 2014-11, Vol.136 (46), p.16285-16298

2014

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Prediction of Highly Selective Electrocatalytic Nitrogen Reduction at Low Overpotential on a Mo-Doped g‑GaN Monolayer

ACS catalysis, 2020-11, Vol.10 (21), p.12841-12857

2020

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Structural and Electronic Features of β‑Ni(OH)2 and β‑NiOOH from First Principles

Journal of physical chemistry. C, 2015-10, Vol.119 (43), p.24315-24322

2015

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Theoretical Insights into Heterogeneous (Photo)electrochemical CO2 Reduction

Defect-Mediated Charge-Carrier Trapping and Nonradiative Recombination in WSe2 Monolayers

Embedded Correlated Wavefunction Schemes: Theory and Applications

Our Role in Solving Global Challenges: An Opinion

The technological and economic prospects for CO2 utilization and removal

Unraveling Oxygen Evolution on Iron-Doped β‑Nickel Oxyhydroxide: The Key Role of Highly Active Molecular-like Sites

New concepts and modeling strategies to design and evaluate photo-electro-catalysts based on transition metal oxides

Quantifying hot carrier and thermal contributions in plasmonic photocatalysis

Challenges in Modeling Materials Properties Without Experimental Input

Water Oxidation on Pure and Doped Hematite (0001) Surfaces: Prediction of Co and Ni as Effective Dopants for Electrocatalysis

Surface-Plasmon-Induced Ammonia Decomposition on Copper: Excited-State Reaction Pathways Revealed by Embedded Correlated Wavefunction Theory

The Holy Grail: Chemistry Enabling an Economically Viable CO2 Capture, Utilization, and Storage Strategy

Influence of Weak Brønsted Acids on Electrocatalytic CO2 Reduction by Manganese and Rhenium Bipyridine Catalysts

Facet-Independent Oxygen Evolution Activity of Pure β‑NiOOH: Different Chemistries Leading to Similar Overpotentials

First-Principles Predictions of the Structure, Stability, and Photocatalytic Potential of Cu2O Surfaces

Autobiography of Emily A. Carter

Quantum mechanical embedding theory based on a unique embedding potential

Charting C–C coupling pathways in electrochemical CO2 reduction on Cu(111) using embedded correlated wavefunction theory

Microkinetic model for pH- and potential-dependent oxygen evolution during water splitting on Fe-doped β-NiOOH

Rationalizing the Hot-Carrier-Mediated Reaction Mechanisms and Kinetics for Ammonia Decomposition on Ruthenium-Doped Copper Nanoparticles

Understanding the Effects of Cd and Ag Doping in Cu2ZnSnS4 Solar Cells

Orbital-free density functional theory for materials research

Mechanistic Contrasts between Manganese and Rhenium Bipyridine Electrocatalysts for the Reduction of Carbon Dioxide

Prediction of Highly Selective Electrocatalytic Nitrogen Reduction at Low Overpotential on a Mo-Doped g‑GaN Monolayer

Structural and Electronic Features of β‑Ni(OH)2 and β‑NiOOH from First Principles

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