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Edge reactivity and water-assisted dissociation on cobalt oxide nanoislands

Nature communications, 2017-01, Vol.8 (1), p.14169-8, Article 14169

2017

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Pfaffian pairing wave functions in electronic-structure quantum Monte Carlo simulations

Physical review letters, 2006-04, Vol.96 (13), p.130201-130201, Article 130201

2006

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Homogeneously dispersed multimetal oxygen-evolving catalysts

Science (American Association for the Advancement of Science), 2016-04, Vol.352 (6283), p.333-337

2016

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Importance of Correlation in Determining Electrocatalytic Oxygen Evolution Activity on Cobalt Oxides

Journal of physical chemistry. C, 2012-10, Vol.116 (39), p.21077-21082

2012

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Pfaffian pairing and backflow wavefunctions for electronic structure quantum Monte Carlo methods

Physical review. B, Condensed matter and materials physics, 2008-03, Vol.77 (11), Article 115112

2008

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Quantum Monte Carlo algorithms for electronic structure at the petascale; the Endstation project

Journal of physics. Conference series, 2008-07, Vol.125 (1), p.012057

2008

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Approximate and exact nodes of fermionic wavefunctions : Coordinate transformations and topologies

Physical review. B, Condensed matter and materials physics, 2005-08, Vol.72 (7), p.075131.1-075131.8, Article 075131

2005

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Coherent "metallic" resistance and medium localization in a disordered one-dimensional insulator

Physical review letters, 2003-09, Vol.91 (13), p.136803-136803, Article 136803

2003

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Pairing in Cold Atoms and other Applications for Quantum Monte Carlo methods

Physics procedia, 2010-02, Vol.3 (3), p.1397-1410

2010

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Variational study of the stability of the Nagaoka state against single-spin flips in the two-dimensional t − t ′ Hubbard model

Physical review. B, Condensed matter, 2001-06, Vol.63 (23), Article 233105

2001

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Tuning electrochemically driven surface transformation in atomically flat LaNiO3 thin films for enhanced water electrolysis

Nature materials, 2021-05, Vol.20 (5), p.674-682

2021

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Identification of Highly Active Fe Sites in (Ni,Fe)OOH for Electrocatalytic Water Splitting

Journal of the American Chemical Society, 2015-01, Vol.137 (3), p.1305-1313

2015

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Acidic Oxygen Evolution Reaction Activity–Stability Relationships in Ru-Based Pyrochlores

ACS catalysis, 2020-10, Vol.10 (20), p.12182-12196

2020

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Theoretical Approaches to Describing the Oxygen Reduction Reaction Activity of Single-Atom Catalysts

Journal of physical chemistry. C, 2018-12, Vol.122 (51), p.29307-29318

2018

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Unraveling Electronic Trends in O and OH Surface Adsorption in the MO2 Transition-Metal Oxide Series

Journal of physical chemistry. C, 2022-05, Vol.126 (18), p.7903-7909

2022

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Understanding the apparent fractional charge of protons in the aqueous electrochemical double layer

Nature communications, 2018-08, Vol.9 (1), p.3202-8, Article 3202

2018

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Prediction of O and OH Adsorption on Transition Metal Oxide Surfaces from Bulk Descriptors

ACS catalysis, 2024-04, Vol.14 (7), p.5286-5296

2024

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Overcoming Hurdles in Oxygen Evolution Catalyst Discovery via Codesign

Chemistry of materials, 2022-02, Vol.34 (3), p.899-910

2022

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Unraveling Electronic Trends in O and OH Surface Adsorption in the MO 2 Transition-Metal Oxide Series

Journal of physical chemistry. C, 2022-05, Vol.126 (18), p.7903-7909

2022

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Resolving atomistic structure and oxygen evolution activity in nickel antimonates

Journal of materials chemistry. A, Materials for energy and sustainability, 2022-12, Vol.11 (10)

2022

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Stabilization of reactive Co₄O₄ cubane oxygen-evolution catalysts within porous frameworks

Proceedings of the National Academy of Sciences - PNAS, 2019-06, Vol.116 (24), p.11630-11639

2019

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Investigation of the Structure of Atomically Dispersed NiNx Sites in Ni and N-Doped Carbon Electrocatalysts by 61Ni Mössbauer Spectroscopy and Simulations

Journal of the American Chemical Society, 2022-11, Vol.144 (47), p.21741-21750

2022

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Investigation of the Structure of Atomically Dispersed NiN x Sites in Ni and N-Doped Carbon Electrocatalysts by 61 Ni Mössbauer Spectroscopy and Simulations

Journal of the American Chemical Society, 2022-11, Vol.144 (47), p.21741-21750

2022

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Investigation of the Structure of Atomically Dispersed NiN x Sites in Ni and N‑Doped Carbon Electrocatalysts by 61Ni Mössbauer Spectroscopy and Simulations

Journal of the American Chemical Society, 2022-11, Vol.144 (47), p.21741-21750

2022

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Dynamics and Hysteresis of Hydrogen Intercalation and Deintercalation in Palladium Electrodes: A Multimodal In Situ X‑ray Diffraction, Coulometry, and Computational Study

Chemistry of materials, 2021-08, Vol.33 (15), p.5872-5884

2021

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Edge reactivity and water-assisted dissociation on cobalt oxide nanoislands

Pfaffian pairing wave functions in electronic-structure quantum Monte Carlo simulations

Homogeneously dispersed multimetal oxygen-evolving catalysts

Importance of Correlation in Determining Electrocatalytic Oxygen Evolution Activity on Cobalt Oxides

Pfaffian pairing and backflow wavefunctions for electronic structure quantum Monte Carlo methods

Quantum Monte Carlo algorithms for electronic structure at the petascale; the Endstation project

Approximate and exact nodes of fermionic wavefunctions : Coordinate transformations and topologies

Coherent "metallic" resistance and medium localization in a disordered one-dimensional insulator

Pairing in Cold Atoms and other Applications for Quantum Monte Carlo methods

Variational study of the stability of the Nagaoka state against single-spin flips in the two-dimensional t − t ′ Hubbard model

Tuning electrochemically driven surface transformation in atomically flat LaNiO3 thin films for enhanced water electrolysis

Identification of Highly Active Fe Sites in (Ni,Fe)OOH for Electrocatalytic Water Splitting

Acidic Oxygen Evolution Reaction Activity–Stability Relationships in Ru-Based Pyrochlores

Theoretical Approaches to Describing the Oxygen Reduction Reaction Activity of Single-Atom Catalysts

Unraveling Electronic Trends in O and OH Surface Adsorption in the MO2 Transition-Metal Oxide Series

Understanding the apparent fractional charge of protons in the aqueous electrochemical double layer

Prediction of O and OH Adsorption on Transition Metal Oxide Surfaces from Bulk Descriptors

Overcoming Hurdles in Oxygen Evolution Catalyst Discovery via Codesign

Unraveling Electronic Trends in O and OH Surface Adsorption in the MO 2 Transition-Metal Oxide Series

Resolving atomistic structure and oxygen evolution activity in nickel antimonates

Stabilization of reactive Co₄O₄ cubane oxygen-evolution catalysts within porous frameworks

Investigation of the Structure of Atomically Dispersed NiNx Sites in Ni and N-Doped Carbon Electrocatalysts by 61Ni Mössbauer Spectroscopy and Simulations

Investigation of the Structure of Atomically Dispersed NiN x Sites in Ni and N-Doped Carbon Electrocatalysts by 61 Ni Mössbauer Spectroscopy and Simulations

Investigation of the Structure of Atomically Dispersed NiN x Sites in Ni and N‑Doped Carbon Electrocatalysts by 61Ni Mössbauer Spectroscopy and Simulations

Dynamics and Hysteresis of Hydrogen Intercalation and Deintercalation in Palladium Electrodes: A Multimodal In Situ X‑ray Diffraction, Coulometry, and Computational Study

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