Machine-Learning-Guided Discovery and Optimization of Additives in Preparing Cu Catalysts for CO2 Reduction

CO2 Reduction: From Homogeneous to Heterogeneous Electrocatalysis

(2020) Sheng Zhang et al.   ACCOUNTS OF CHEMICAL RESEARCH

Controlling the Oxidation State of the Cu Electrode and Reaction Intermediates for Electrochemical CO2 Reduction to Ethylene

(2020) Tsu-Chin Chou et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Accelerating Atomic Catalyst Discovery by Theoretical Calculations‐Machine Learning Strategy

(2020) Mingzi Sun et al.   Advanced Energy Materials

Cu 2 O Nanoparticles with Both {100} and {111} Facets for Enhancing the Selectivity and Activity of CO 2 Electroreduction to Ethylene

(2020) Yugang Gao et al.   Advanced Science

Stability and degradation mechanisms of copper-based catalysts for electrochemical CO2 reduction

(2020) Stefan Popović et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Electroreduction of CO2 to Formate on a Copper-Based Electrocatalyst at High Pressures with High Energy Conversion Efficiency

(2020) Jiachen Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electric Dipole Descriptor for Machine Learning Prediction of Catalyst Surface–Molecular Adsorbate Interactions

(2020) Xijun Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Accelerated discovery of CO2 electrocatalysts using active machine learning

(2020) Miao Zhong et al.   NATURE

SYBA: Bayesian estimation of synthetic accessibility of organic compounds

(2020) Milan Voršilák et al.   Journal of Cheminformatics

The role of in situ generated morphological motifs and Cu(i) species in C2+ product selectivity during CO2 pulsed electroreduction

(2020) Rosa M. Arán-Ais et al.   Nature Energy

Electrocatalytic CO 2 Reduction on CuO x Nanocubes: Tracking the Evolution of Chemical State, Geometric Structure, and Catalytic Selectivity using Operando Spectroscopy

(2020) Tim Möller et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Atypical Oxygen-Bearing Copper Boosts Ethylene Selectivity toward Electrocatalytic CO2 Reduction

(2020) Wei Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Imaging electrochemically synthesized Cu2O cubes and their morphological evolution under conditions relevant to CO2 electroreduction

(2020) Rosa M. Arán-Ais et al.   Nature Communications

Predicting the Activity and Selectivity of Bimetallic Metal Catalysts for Ethanol Reforming using Machine Learning

(2020) Nongnuch Artrith et al.   ACS Catalysis

Highly Selective CO2 Electroreduction to CH4 by in situ Generated Cu2O Single‐Type Sites on Conductive MOF: Stabilizing Key Intermediates with Hydrogen Bond

(2020) Rong Cao et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Impact of Pulsed Electrochemical Reduction of CO2 on the Formation of C2+ Products over Cu

(2020) Chanyeon Kim et al.   ACS Catalysis

Prediction of higher-selectivity catalysts by computer-driven workflow and machine learning

(2019) Andrew F. Zahrt et al.   SCIENCE

Understanding the Roadmap for Electrochemical Reduction of CO2 to Multi-Carbon Oxygenates and Hydrocarbons on Copper-Based Catalysts

(2019) Yao Zheng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Plasma-Modified Dendritic Cu Catalyst for CO2 Electroreduction

(2019) Fabian Scholten et al.   ACS Catalysis

Designing materials for electrochemical carbon dioxide recycling

(2019) Michael B. Ross et al.   Nature Catalysis

Controlling the Reactivity of the [P8 W48 O184 ]40− Inorganic Ring and Its Assembly into POMZite Inorganic Frameworks with Silver Ions

(2019) Cai-Hong Zhan et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Cooperative Stabilization of the [Pyridinium-CO2-Co] Adduct on a Metal–Organic Layer Enhances Electrocatalytic CO2 Reduction

(2019) Ying Guo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mixed Copper States in Anodized Cu Electrocatalyst for Stable and Selective Ethylene Production from CO2 Reduction

(2018) Si Young Lee et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The role of reticular chemistry in the design of CO2 reduction catalysts

(2018) Christian S. Diercks et al.   NATURE MATERIALS

Machine learning meets volcano plots: Computational discovery of cross-coupling catalysts

(2018) Benjamin Meyer et al.   Chemical Science

Single-Atomic Cu with Multiple Oxygen Vacancies on Ceria for Electrocatalytic CO2 Reduction to CH4

(2018) Yifei Wang et al.   ACS Catalysis

Identification of the Selective Sites for Electrochemical Reduction of CO to C2+ Products on Copper Nanoparticles by Combining Reactive Force Fields, Density Functional Theory, and Machine Learning

(2018) Yufeng Huang et al.   ACS Energy Letters

Molecular Scaffolding Strategy with Synergistic Active Centers To Facilitate Electrocatalytic CO2 Reduction to Hydrocarbon/Alcohol

(2017) Yan Jiao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Tunable Cu Enrichment Enables Designer Syngas Electrosynthesis from CO2

(2017) Michael B. Ross et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electrochemical CO2 Conversion Using Skeleton (Sponge) Type of Cu Catalysts

(2017) Abhijit Dutta et al.   ACS Catalysis

Nanoporous Copper Films by Additive-Controlled Electrodeposition: CO2 Reduction Catalysis

(2017) Thao T. H. Hoang et al.   ACS Catalysis

CO2 Reduction Selective for C≥2 Products on Polycrystalline Copper with N-Substituted Pyridinium Additives

(2017) Zhiji Han et al.   ACS Central Science

Morphology-Directed Selective Production of Ethylene or Ethane from CO2on a Cu Mesopore Electrode

(2016) Ki Dong Yang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Morphology Matters: Tuning the Product Distribution of CO2 Electroreduction on Oxide-Derived Cu Foam Catalysts

(2016) Abhijit Dutta et al.   ACS Catalysis

Machine-Learning-Augmented Chemisorption Model for CO2 Electroreduction Catalyst Screening

(2015) Xianfeng Ma et al.   Journal of Physical Chemistry Letters

Extended-Connectivity Fingerprints

(2010) David Rogers et al.   Journal of Chemical Information and Modeling