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Intermolecular interactions in optical cavities: An ab initio QED study

The Journal of chemical physics, 2021-03, Vol.154 (9), p.094113-094113

2021

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Coupled Cluster Theory for Molecular Polaritons: Changing Ground and Excited States

Physical review. X, 2020-12, Vol.10 (4), p.041043, Article 041043

2020

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Molecular orbital theory in cavity QED environments

Nature communications, 2022-03, Vol.13 (1), p.1368-8, Article 1368

2022

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Assessing common approximations in space charge modelling to estimate the proton resistance across grain boundaries in Y-doped BaZrO3

Physical chemistry chemical physics : PCCP, 2020-06, Vol.22 (21), p.11891-11902

2020

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Single-step hydrogen production from NH3, CH4, and biogas in stacked proton ceramic reactors

Science (American Association for the Advancement of Science), 2022-04, Vol.376 (6591), p.390-393

2022

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Strong Coupling between Localized Surface Plasmons and Molecules by Coupled Cluster Theory

Nano letters, 2021-08, Vol.21 (15), p.6664-6670

2021

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On the relationship between chemical expansion and hydration thermodynamics of proton conducting perovskites

Journal of materials chemistry. A, Materials for energy and sustainability, 2016-01, Vol.4 (16), p.5917-5924

2016

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Proton, Hydroxide Ion, and Oxide Ion Affinities of Closed-Shell Oxides: Importance for the Hydration Reaction and Correlation to Electronic Structure

Journal of physical chemistry. C, 2020-01, Vol.124 (2), p.1277-1284

2020

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Defect segregation to grain boundaries in BaZrO3 from first-principles free energy calculations

Journal of materials chemistry. A, Materials for energy and sustainability, 2017-07, Vol.5 (26), p.13421-13429

2017

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Coupled cluster cavity Born–Oppenheimer approximation for electronic strong coupling

The Journal of chemical physics, 2023-12, Vol.159 (21)

2023

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Hydration entropy of BaZrO3 from first principles phonon calculations

2015-04

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Thermodynamic properties of neutral and charged oxygen vacancies in BaZrO3 based on first principles phonon calculations

Physical chemistry chemical physics : PCCP, 2015-08, Vol.17 (32), p.2765-2774

2015

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Structure, hydration, and proton conductivity in 50% La and Nd doped CeO2 – La2Ce2O7 and Nd2Ce2O7 – and their solid solutions

Solid state ionics, 2020-10, Vol.354, p.115401, Article 115401

2020

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Charge-Carrier Enrichment at BaZrO3/SrTiO3 Interfaces

Journal of physical chemistry. C, 2019-08, Vol.123 (34), p.20808-20816

2019

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Earth-Abundant Electrocatalysts in Proton Exchange Membrane Electrolyzers

Catalysts, 2018-12, Vol.8 (12), p.657

2018

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Strong Interplay between Sodium and Oxygen in Kesterite Absorbers: Complex Formation, Incorporation, and Tailoring Depth Distributions

Advanced energy materials, 2019-07, Vol.9 (27), p.n/a

2019

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2D Doping of Proton Conductors: BaZrO3‐Based Heterostructures

Advanced energy materials, 2021-01, Vol.11 (4), p.n/a

2021

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On the characteristic features of ionization in QED environments

The Journal of chemical physics, 2022-06, Vol.156 (23), p.234103-234103

2022

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The Role of Space Charge at Metal/Oxide Interfaces in Proton Ceramic Electrochemical Cells

Journal of physical chemistry. C, 2020-09, Vol.124 (38), p.20827-20833

2020

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Surface Segregation Entropy of Protons and Oxygen Vacancies in BaZrO3

Chemistry of materials, 2016-03, Vol.28 (5), p.1363-1368

2016

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Hydration thermodynamics of pyrochlore structured oxides from TG and first principles calculations

Dalton transactions : an international journal of inorganic chemistry, 2012-11, Vol.41 (43), p.13343-13351

2012

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Effective Single-Mode Methodology for Strongly Coupled Multimode Molecular-Plasmon Nanosystems

Nano letters, 2023-06, Vol.23 (11), p.4938-4946

2023

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Importance of the Spin–Orbit Interaction for a Consistent Theoretical Description of Small Polarons in Pr-Doped CeO2

Journal of physical chemistry. C, 2020-07, Vol.124 (29), p.15831-15838

2020

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Unravelling the fundamentals of thermal and chemical expansion of BaCeO3 from first principles phonon calculations

Physical chemistry chemical physics : PCCP, 2016-01, Vol.18 (45), p.31296-3133

2016

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Assessing common approximations in space charge modelling to estimate the proton resistance across grain boundaries in Y-doped BaZrO 3

Physical chemistry chemical physics : PCCP, 2020-06, Vol.22 (21), p.11891-11902

2020

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Intermolecular interactions in optical cavities: An ab initio QED study

Coupled Cluster Theory for Molecular Polaritons: Changing Ground and Excited States

Molecular orbital theory in cavity QED environments

Assessing common approximations in space charge modelling to estimate the proton resistance across grain boundaries in Y-doped BaZrO3

Single-step hydrogen production from NH3, CH4, and biogas in stacked proton ceramic reactors

Strong Coupling between Localized Surface Plasmons and Molecules by Coupled Cluster Theory

On the relationship between chemical expansion and hydration thermodynamics of proton conducting perovskites

Proton, Hydroxide Ion, and Oxide Ion Affinities of Closed-Shell Oxides: Importance for the Hydration Reaction and Correlation to Electronic Structure

Defect segregation to grain boundaries in BaZrO3 from first-principles free energy calculations

Coupled cluster cavity Born–Oppenheimer approximation for electronic strong coupling

Hydration entropy of BaZrO3 from first principles phonon calculations

Thermodynamic properties of neutral and charged oxygen vacancies in BaZrO3 based on first principles phonon calculations

Structure, hydration, and proton conductivity in 50% La and Nd doped CeO2 – La2Ce2O7 and Nd2Ce2O7 – and their solid solutions

Charge-Carrier Enrichment at BaZrO3/SrTiO3 Interfaces

Earth-Abundant Electrocatalysts in Proton Exchange Membrane Electrolyzers

Strong Interplay between Sodium and Oxygen in Kesterite Absorbers: Complex Formation, Incorporation, and Tailoring Depth Distributions

2D Doping of Proton Conductors: BaZrO3‐Based Heterostructures

On the characteristic features of ionization in QED environments

The Role of Space Charge at Metal/Oxide Interfaces in Proton Ceramic Electrochemical Cells

Surface Segregation Entropy of Protons and Oxygen Vacancies in BaZrO3

Hydration thermodynamics of pyrochlore structured oxides from TG and first principles calculations

Effective Single-Mode Methodology for Strongly Coupled Multimode Molecular-Plasmon Nanosystems

Importance of the Spin–Orbit Interaction for a Consistent Theoretical Description of Small Polarons in Pr-Doped CeO2

Unravelling the fundamentals of thermal and chemical expansion of BaCeO3 from first principles phonon calculations

Assessing common approximations in space charge modelling to estimate the proton resistance across grain boundaries in Y-doped BaZrO 3

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