Joseph H. Montoya

发表

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

Santosh K. Suram, Brian A. Rohr, Yang Ha, 2020, npj Computational Materials.

Matminer: An open source toolkit for materials data mining

Kyle Chard, Ian Foster, Anubhav Jain, 2018, Computational Materials Science.

A high-throughput framework for determining adsorption energies on solid surfaces

Kristin A. Persson, Joseph H. Montoya, K. Persson, 2017, npj Computational Materials.

Automated Adsorption Workflow for Semiconductor Surfaces and the Application to Zinc Telluride

Matthew K. Horton, Joseph H. Montoya, Oxana Andriuc, 2021, J. Chem. Inf. Model..

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

Joseph H. Montoya, Charlie Tsai, A. Vojvodić, 2015, ChemSusChem.

A highly active and stable IrOx/SrIrO3 catalyst for the oxygen evolution reaction

Joseph H. Montoya, Colin F. Dickens, A. Vojvodić, 2016, Science.

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

Joseph H. Montoya, Colin F. Dickens, J. Nørskov, 2019 .

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

Kristin A Persson, Joseph H. Montoya, Kristin A. Persson, 2019, Nature Communications.

propnet: A Knowledge Graph for Materials Science

Anubhav Jain, Kristin A. Persson, Vahe Tshitoyan, 2020, Matter.

Two-dimensional forms of robust CO2 reduction photocatalysts

Steven B. Torrisi, Joseph H. Montoya, K. Persson, 2019, npj 2D Materials and Applications.

Lawrence Berkeley National Laboratory Recent Work Title Robust and synthesizable photocatalysts for CO 2 reduction : a data-driven materials discovery

Joseph H. Montoya, J. Gregoire, K. Persson, 2019 .

Theoretical evaluation of the surface electrochemistry of perovskites with promising photon absorption properties for solar water splitting.

Joseph H. Montoya, A. Vojvodić, J. Nørskov, 2015, Physical chemistry chemical physics : PCCP.

Active Learning Accelerated Discovery of Stable Iridium Oxide Polymorphs for the Oxygen Evolution Reaction

Joseph H. Montoya, Raul A. Flores, Muratahan Aykol, 2020, Chemistry of Materials.

Electrochemical CO2 reduction on Au surfaces: mechanistic aspects regarding the formation of major and minor products.

Joseph H. Montoya, Etosha R. Cave, J. Nørskov, 2017, Physical chemistry chemical physics : PCCP.

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

Joseph H. Montoya, Zhenbin Wang, J. Nørskov, 2020, npj Computational Materials.

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

Brian A. Rohr, Matthew R. Carbone, Steven B. Torrisi, 2020, npj Computational Materials.

New challenges in oxygen reduction catalysis: a consortium retrospective to inform future research

Steven B. Torrisi, Joseph H. Montoya, Hao Li, 2022, Energy & Environmental Science.

Strategies for Modulating the Catalytic Activity and Selectivity of Manganese Antimonates for the Oxygen Reduction Reaction

Joseph H. Montoya, J. Nørskov, T. Jaramillo, 2022, ACS Catalysis.

Understanding trends in C-H bond activation in heterogeneous catalysis.

Jens K Nørskov, Joseph H. Montoya, Frank Abild-Pedersen, 2017, Nature materials.

High-throughput prediction of the ground-state collinear magnetic order of inorganic materials using Density Functional Theory

Joseph H. Montoya, Matthew K. Horton, K. Persson, 2019, npj Computational Materials.

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

Joseph H. Montoya, J. Gregoire, K. Persson, 2019, Nature Communications.

Rutile Alloys in the Mn–Sb–O System Stabilize Mn3+ To Enable Oxygen Evolution in Strong Acid

Joseph H. Montoya, Lan Zhou, J. Gregoire, 2018, ACS Catalysis.

Materials for solar fuels and chemicals.

Jens K Nørskov, Joseph H. Montoya, A. Vojvodić, 2016, Nature materials.

Theoretical Insights into a CO Dimerization Mechanism in CO2 Electroreduction.

Joseph H. Montoya, J. Nørskov, Karen Chan, 2015, The journal of physical chemistry letters.

The Materials Project: Accelerating Materials Design Through Theory-Driven Data and Tools

Patrick Huck, Anubhav Jain, Kristin A. Persson, 2020, Handbook of Materials Modeling.

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

Matthew Horton, Zi-Kui Liu, Anubhav Jain, 2017 .

Electroreduction of Methanediol on Copper

Joseph H. Montoya, J. Nørskov, H. Hansen, 2013, Catalysis Letters.

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

Joseph H. Montoya, Haotian Wang, K. Persson, 2020, ACS Catalysis.

Computational Design of Active Site Structures with Improved Transition-State Scaling for Ammonia Synthesis

Brian A. Rohr, Joseph H. Montoya, Charlie Tsai, 2018 .

Direct Water Decomposition on Transition Metal Surfaces: Structural Dependence and Catalytic Screening

Joseph H. Montoya, Colin F. Dickens, Ryan J. McCarty, 2016, Catalysis Letters.

Insights into CC Coupling in CO2 Electroreduction on Copper Electrodes

Joseph Montoya, Andrew A. Peterson, Jens K. Nørskov, 2013 .

Electrochemical Stability of Metastable Materials

Kristin A. Persson, Joseph Montoya, Santosh K. Suram, 2017 .

Improving Oxygen Electrochemistry through Nanoscopic Confinement

Joseph H. Montoya, A. Vojvodić, Andrew D. Doyle, 2015 .

Scaling Relationships for Binding Energies of Transition Metal Complexes

Joseph H. Montoya, Charlie Tsai, J. Nørskov, 2016, Catalysis Letters.

Hydrogenation of 3,4-epoxy-1-butene over Cu-Pd/SiO2 catalysts prepared by electroless deposition

Joseph H. Montoya, Ashley Y. Metcalf, J. Monnier, 2007 .

Anisotropic work function of elemental crystals

Joseph H. Montoya, Kristin A. Persson, S. Ong, 2019, Surface Science.

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

Joseph H. Montoya, J. Nørskov, Karen Chan, 2016 .

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

Ib Chorkendorff, Jens K Nørskov, Joseph H. Montoya, 2015, Angewandte Chemie.

Origins of the Instability of Nonprecious Hydrogen Evolution Reaction Catalysts at Open-Circuit Potential

Joseph H. Montoya, Zhenbin Wang, J. Nørskov, 2021 .

Efficient Pourbaix diagrams of many-element compounds.

Joseph H. Montoya, J. Nørskov, K. Persson, 2019, Physical chemistry chemical physics : PCCP.

Trends in adsorption of electrocatalytic water splitting intermediates on cubic ABO3 oxides.

Joseph H. Montoya, A. Vojvodić, J. Nørskov, 2018, Physical chemistry chemical physics : PCCP.

Origins of the Instability of Non-precious HER Catalysts at Open Circuit Potential

Joseph Montoya, Ib Chorkendorff, Jakob Kibsgaard, 2021 .

Electrochemical CO2 reduction on Au surfaces: mechanistic aspects regarding the formation of major and minor products.

Joseph H. Montoya, Etosha R. Cave, J. Nørskov, 2017, Physical chemistry chemical physics : PCCP.

Theoretical Insights into a CO Dimerization Mechanism in CO2 Electroreduction.

Joseph H. Montoya, J. Nørskov, Karen Chan, 2015, The journal of physical chemistry letters.