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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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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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The ReaxFF reactive force-field: development, applications and future directions

npj computational materials, 2016-03, Vol.2 (1), p.15011-15011, Article 15011

2016

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Operator-Induced Structural Variable Selection for Identifying Materials Genes

Journal of the American Statistical Association, 2024-01, Vol.119 (545), p.81-94

2024

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Structure Sensitivity of Pd Facets for Enhanced Electrochemical Nitrate Reduction to Ammonia

ACS catalysis, 2021-06, Vol.11 (12), p.7568-7577

2021

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Theoretical insights into non-oxidative propane dehydrogenation over Fe3C

Physical chemistry chemical physics : PCCP, 2021-01, Vol.23 (2), p.1401-1413

2021

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Variation in the In2O3 Crystal Phase Alters Catalytic Performance toward the Reverse Water Gas Shift Reaction

ACS catalysis, 2020-03, Vol.10 (5), p.3264-3273

2020

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Direct and continuous generation of pure acetic acid solutions via electrocatalytic carbon monoxide reduction

Proceedings of the National Academy of Sciences - PNAS, 2021-01, Vol.118 (2)

2021

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Methane Activation at the Pd/CeO2 Interface

ACS catalysis, 2017-01, Vol.7 (1), p.327-332

2017

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Identifying Adhesion Properties at Si/Polymer Interfaces with ReaxFF

Journal of physical chemistry. C, 2019-11, Vol.123 (44), p.27036-27047

2019

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Modeling phase formation on catalyst surfaces: Coke formation and suppression in hydrocarbon environments

AIChE journal, 2021-12, Vol.67 (12), p.n/a

2021

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Porphyrin-based donor-acceptor COFs as efficient and reusable photocatalysts for PET-RAFT polymerization under broad spectrum excitation

Chemical science (Cambridge), 2021-12, Vol.12 (48), p.1692-1699

2021

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Three-dimensional covalent organic frameworks with pto and mhq-z topologies based on Tri- and tetratopic linkers

Nature communications, 2023-05, Vol.14 (1), p.2865-2865, Article 2865

2023

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Theoretical insights into non-oxidative propane dehydrogenation over Fe 3 C

Physical chemistry chemical physics : PCCP, 2021-01, Vol.23 (2), p.1401-1413

2021

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Finding physical insights in catalysis with machine learning

Current opinion in chemical engineering, 2022-09, Vol.37, p.100832, Article 100832

2022

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Mechanistic Insights into pH-Controlled Nitrite Reduction to Ammonia and Hydrazine over Rhodium

ACS catalysis, 2020-01, Vol.10 (1), p.494-509

2020

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Interaction of Pyridine and Water with the Reconstructed Surfaces of GaP(111) and CdTe(111) Photoelectrodes: Implications for CO2 Reduction

Chemistry of materials, 2016-08, Vol.28 (16), p.5799-5810

2016

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Dynamic structural evolution of iron catalysts involving competitive oxidation and carburization during CO2 hydrogenation

Science advances, 2022-02, Vol.8 (5), p.eabm3629-eabm3629

2022

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Mechanistic Insight into the Photo-Oxidation of Perfluorocarboxylic Acid over Boron Nitride

Environmental science & technology, 2022-06, Vol.56 (12), p.8942-8952

2022

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How structural and vibrational features affect optoelectronic properties of non-stoichiometric quantum dots: computational insights

Nanoscale, 2023-04, Vol.15 (15), p.7176-7185

2023

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Mechanistic Implications of the Varying Susceptibility of PAHs to Pyro-Catalytic Treatment as a Function of Their Ionization Potential and Hydrophobicity

Environmental science & technology, 2024-07, Vol.58 (30), p.13521-13528

2024

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Nature of electronic excitations in small non-stoichiometric quantum dots

Journal of materials chemistry. A, Materials for energy and sustainability, 2022-03, Vol.1 (1), p.5212-522

2022

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Method of H2 Transfer Is Vital for Catalytic Hydrodefluorination of Perfluorooctanoic Acid (PFOA)

Environmental science & technology, 2024-01, Vol.58 (2), p.1390-1398

2024

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Charge Transfer Stabilization of Late Transition Metal Oxide Nanoparticles on a Layered Niobate Support

Journal of the American Chemical Society, 2015-12, Vol.137 (51), p.16216-16224

2015

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Method of H 2 Transfer Is Vital for Catalytic Hydrodefluorination of Perfluorooctanoic Acid (PFOA)

Environmental science & technology, 2024-01, Vol.58 (2), p.1390-1398

2024

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

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

The ReaxFF reactive force-field: development, applications and future directions

Operator-Induced Structural Variable Selection for Identifying Materials Genes

Structure Sensitivity of Pd Facets for Enhanced Electrochemical Nitrate Reduction to Ammonia

Theoretical insights into non-oxidative propane dehydrogenation over Fe3C

Variation in the In2O3 Crystal Phase Alters Catalytic Performance toward the Reverse Water Gas Shift Reaction

Direct and continuous generation of pure acetic acid solutions via electrocatalytic carbon monoxide reduction

Methane Activation at the Pd/CeO2 Interface

Identifying Adhesion Properties at Si/Polymer Interfaces with ReaxFF

Modeling phase formation on catalyst surfaces: Coke formation and suppression in hydrocarbon environments

Porphyrin-based donor-acceptor COFs as efficient and reusable photocatalysts for PET-RAFT polymerization under broad spectrum excitation

Three-dimensional covalent organic frameworks with pto and mhq-z topologies based on Tri- and tetratopic linkers

Theoretical insights into non-oxidative propane dehydrogenation over Fe 3 C

Finding physical insights in catalysis with machine learning

Mechanistic Insights into pH-Controlled Nitrite Reduction to Ammonia and Hydrazine over Rhodium

Interaction of Pyridine and Water with the Reconstructed Surfaces of GaP(111) and CdTe(111) Photoelectrodes: Implications for CO2 Reduction

Dynamic structural evolution of iron catalysts involving competitive oxidation and carburization during CO2 hydrogenation

Mechanistic Insight into the Photo-Oxidation of Perfluorocarboxylic Acid over Boron Nitride

How structural and vibrational features affect optoelectronic properties of non-stoichiometric quantum dots: computational insights

Mechanistic Implications of the Varying Susceptibility of PAHs to Pyro-Catalytic Treatment as a Function of Their Ionization Potential and Hydrophobicity

Nature of electronic excitations in small non-stoichiometric quantum dots

Method of H2 Transfer Is Vital for Catalytic Hydrodefluorination of Perfluorooctanoic Acid (PFOA)

Charge Transfer Stabilization of Late Transition Metal Oxide Nanoparticles on a Layered Niobate Support

Method of H 2 Transfer Is Vital for Catalytic Hydrodefluorination of Perfluorooctanoic Acid (PFOA)

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