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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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Methane Activation at the Pd/CeO2 Interface

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

2017

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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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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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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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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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Development of a ReaxFF potential for Pd∕O and application to palladium oxide formation

The Journal of chemical physics, 2013-07, Vol.139 (4), p.044109-044109

2013

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Growth of Stable Surface Oxides on Pt(111) at Near‐Ambient Pressures

Angewandte Chemie International Edition, 2017-03, Vol.56 (10), p.2594-2598

International ed. in English, 2017

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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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Challenges in photocatalysis using covalent organic frameworks

JPhys photonics, 2024-07, Vol.6 (3), p.31001

2024

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Influence of Hydroxyls on Pd Atom Mobility and Clustering on Rutile TiO2(011)‑2 × 1

ACS nano, 2014-06, Vol.8 (6), p.6321-6333

2014

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Operator-induced structural variable selection for identifying materials genes

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

2024

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Reaction Mechanism Governing Formation of 1,3-Bis(diphenylphosphino)propane-Protected Gold Nanoclusters

Inorganic chemistry, 2011-10, Vol.50 (20), p.10178-10189

2011

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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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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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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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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), p.1-10

2021

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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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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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The Role of Surface-Bound Dihydropyridine Analogues in Pyridine-Catalyzed CO2 Reduction over Semiconductor Photoelectrodes

ACS central science, 2017-09, Vol.3 (9), p.968-974

2017

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

Methane Activation at the Pd/CeO2 Interface

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

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

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

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

Development of a ReaxFF potential for Pd∕O and application to palladium oxide formation

Growth of Stable Surface Oxides on Pt(111) at Near‐Ambient Pressures

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

Challenges in photocatalysis using covalent organic frameworks

Influence of Hydroxyls on Pd Atom Mobility and Clustering on Rutile TiO2(011)‑2 × 1

Operator-induced structural variable selection for identifying materials genes

Reaction Mechanism Governing Formation of 1,3-Bis(diphenylphosphino)propane-Protected Gold Nanoclusters

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

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

Theoretical insights into non-oxidative propane dehydrogenation over Fe3C

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

Identifying Adhesion Properties at Si/Polymer Interfaces with ReaxFF

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

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

The Role of Surface-Bound Dihydropyridine Analogues in Pyridine-Catalyzed CO2 Reduction over Semiconductor Photoelectrodes

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

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

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

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

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