Joseph H. Montoya

Research interests

Publications

• Autonomous experimentation systems for materials development: A community perspective

  Matter · 2021 · https://doi.org/10.1016/j.matt.2021.06.036

• A Review on Challenges and Successes in Atomic-Scale Design of Catalysts for Electrochemical Synthesis of Hydrogen Peroxide

  ACS Catalysis · 2020 · https://doi.org/10.1021/acscatal.0c01641

• Random forest machine learning models for interpretable X-ray absorption near-edge structure spectrum-property relationships

  npj Computational Materials · 2020 · https://doi.org/10.1038/s41524-020-00376-6

• Predicting aqueous stability of solid with computed Pourbaix diagram using SCAN functional

  npj Computational Materials · 2020 · https://doi.org/10.1038/s41524-020-00430-3

• Robust and synthesizable photocatalysts for CO2 reduction: a data-driven materials discovery

  Nature Communications · 2019 · https://doi.org/10.1038/s41467-019-08356-1

• Efficient Pourbaix diagrams of many-element compounds

  Physical Chemistry Chemical Physics · 2019 · https://doi.org/10.1039/c9cp04799a

• Accelerating the discovery of materials for clean energy in the era of smart automation

  Nature Reviews Materials · 2018 · https://doi.org/10.1038/s41578-018-0005-z

• Matminer: An open source toolkit for materials data mining

  Computational Materials Science · 2018 · https://doi.org/10.1016/j.commatsci.2018.05.018

• An electronic structure descriptor for oxygen reactivity at metal and metal-oxide surfaces

  Surface Science · 2018 · https://doi.org/10.1016/j.susc.2018.11.019

• Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows

  Computational Materials Science · 2017 · https://doi.org/10.1016/j.commatsci.2017.07.030

• Electrochemical Stability of Metastable Materials

  Chemistry of Materials · 2017 · https://doi.org/10.1021/acs.chemmater.7b03980

• Materials for solar fuels and chemicals

  Nature Materials · 2016 · https://doi.org/10.1038/nmat4778

• CO-CO coupling on Cu facets: Coverage, strain and field effects

  Surface Science · 2016 · https://doi.org/10.1016/j.susc.2016.08.006

• A highly active and stable IrO x /SrIrO 3 catalyst for the oxygen evolution reaction

  Science · 2016 · https://doi.org/10.1126/science.aaf5050

• Understanding trends in C–H bond activation in heterogeneous catalysis

  Nature Materials · 2016 · https://doi.org/10.1038/nmat4760

• Acetaldehyde as an Intermediate in the Electroreduction of Carbon Monoxide to Ethanol on Oxide‐Derived Copper

  Angewandte Chemie International Edition · 2015 · https://doi.org/10.1002/anie.201508851

• Theoretical Insights into a CO Dimerization Mechanism in CO 2 Electroreduction

  The Journal of Physical Chemistry Letters · 2015 · https://doi.org/10.1021/acs.jpclett.5b00722

• The Challenge of Electrochemical Ammonia Synthesis: A New Perspective on the Role of Nitrogen Scaling Relations

  ChemSusChem · 2015 · https://doi.org/10.1002/cssc.201500322

• Insights into CC Coupling in CO 2 Electroreduction on Copper Electrodes

  ChemCatChem · 2013 · https://doi.org/10.1002/cctc.201200564

Current projects

No projects listed.