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Journal Articles by C. J. Heard

D. Willimetz, A. Erlebach, C. J. Heard, and L. Grajciar,
27Al NMR chemical shifts in zeolite MFI via machine learning acceleration of structure sampling and shift prediction

Digital Discovery, 2025

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M. Liu, L. Grajciar, and C. J. Heard,
The role of defects in high-silica zeolite hydrolysis and framework healing

Microporous and Mesoporous Materials, 377, 2024

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S. Abdi, D. N. Rainer, M. Kubů, C. J. Heard, J. Čejka, and M. Shamzhy,
iADOR yields diverse shape-selective solid Lewis acid catalysts

Applied Materials Today, 38, 2024

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S. Abdi, D. N. Rainer, M. Kubů, C. J. Heard, J. Čejka, and M. Shamzhy,
iADOR yields diverse shape-selective solid Lewis acid catalysts

Applied Materials Today, 38, 2024

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A. Erlebach, M. Šípka, I. Saha, P. Nachtigall, C. J. Heard, and L. Grajciar,
A reactive neural network framework for water-loaded acidic zeolites

Nature Communications, 15(1), 2024

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T. Benešová, M. Liu, P. Nachtigall, and C. J. Heard,
Oxygen exchange mechanisms in zeolite chabazite under steaming conditions

Microporous and Mesoporous Materials, 368, 2024

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C. J. Heard, L. Grajciar, and A. Erlebach,
Migration of zeolite-encapsulated subnanometre platinum clusters via reactive neural network potentials

Nanoscale, 16(16), 2024

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C. Lei, C. Bornes, O. Bengtsson, A. Erlebach, B. Slater, L. Grajciar, and C. J. Heard,
A machine learning approach for dynamical modelling of Al distributions in zeolites via23Na/27Al solid-state NMR

Faraday Discussions, 2024

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I. Saha, A. Erlebach, P. Nachtigall, C. J. Heard, and L. Grajciar,
Germanium distributions in zeolites derived from neural network potentials

Catalysis Science & Technology, 2024

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C. J. Heard, L. Grajciar, and A. Erlebach,
Migration of zeolite-encapsulated subnanometre platinum clusters via reactive neural network potentials

Nanoscale, 16(16), 2024

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D. Willimetz, A. Erlebach, C. J. Heard, and L. Grajciar,
27Al NMR chemical shifts in zeolite MFI via machine learning acceleration of structure sampling and shift prediction.

Digital Discovery, 2024

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M. Jin M. Ravi C. Lei C. J. Heard F. Brivio Z. Tošner L. Grajciar J. A. van Bokhoven et al.
Dynamical Equilibrium between Brønsted and Lewis Sites in Zeolites: Framework‐Associated Octahedral Aluminum

Angewandte Chemie International Edition, 62(31), 2023

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C. Lei, A. Erlebach, F. Brivio, L. Grajciar, Z. Tošner, C. J. Heard, and P. Nachtigall,
The need for operando modelling of 27Al NMR in zeolites: the effect of temperature, topology and water

Chem. Sci., 14, 2023

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C. Lei, A. Erlebach, F. Brivio, L. Grajciar, Z. Tosner, C. J. Heard, and P. Nachtigall,
The need for operando modelling of 27Al NMR in zeolites: the effect of temperature, topology and water

Chem. Sci., 14, 2023

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M. Jin M. Ravi C. Lei C. J. Heard F. Brivio Z. Tosner L. Grajciar J. A. van Bokhoven et al.
Dynamical Equilibrium between Bronsted and Lewis Sites in Zeolites: Framework-Associated Octahedral Aluminum

Angewandte Chemie International Edition, 62(31), 2023

ab initio molecular dynamics octahedral aluminum solid-state nmr zeolite hydrolysis zeolites

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A. Li, Y. Zhang, C. J. Heard, K. Golabek, X. Ju, J. Cejka, and M. Mazur,
Encapsulating Metal Nanoparticles into a Layered Zeolite Precursor with Surface Silanol Nests Enhances Sintering Resistance

Angewandte Chemie International Edition, 62(1), 2023

layered materials mesoporous materials metal-support interaction rhodium zeolites

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D. Hou, and C. J. Heard,
Migration of zeolite-encapsulated Pt and Au under reducing environments

Catal. Sci. Technol., 12, 2022

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K. Ament N. Kowitsch D. Hou T. Gotsch J. Krohnert C. J. Heard A. Trunschke T. Lunkenbein et al.
Nanoparticles Supported on Sub-Nanometer Oxide Films: Scaling Model Systems to Bulk Materials

Angewandte Chemie International Edition, 60(11), 2021

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M. Jin, M. Liu, P. Nachtigall, L. Grajciar, and C. J. Heard,
Mechanism of Zeolite Hydrolysis under Basic Conditions

Chemistry of Materials, 33(23), 2021

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M. Jin, O. Vesely, C. J. Heard, M. Kubu, P. Nachtigall, J. Cejka, and L. Grajciar,
The Role of Water Loading and Germanium Content in Germanosilicate Hydrolysis

The Journal of Physical Chemistry C, 125(43), 2021

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C. J. Heard, L. Grajciar, F. Uhlík, M. Shamzhy, M. Opanasenko, J. Čejka, and P. Nachtigall,
Zeolite (In)Stability under Aqueous or Steaming Conditions
Wiley, 2020

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D. Hou, L. Grajciar, P. Nachtigall, and C. J. Heard,
Origin of the Unusual Stability of Zeolite-Encapsulated Sub-Nanometer Platinum
American Chemical Society (ACS), 2020

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C. J. Heard, L. Grajciar, F. Uhlík, M. Shamzhy, M. Opanasenko, J. Čejka, and P. Nachtigall,
Zeolite (In)Stability under Aqueous or Steaming Conditions
Wiley, 2020

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D. Hou, L. Grajciar, P. Nachtigall, and C. J. Heard,
Origin of the Unusual Stability of Zeolite-Encapsulated Sub-Nanometer Platinum

ACS Catalysis, 10(19), 2020

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C. J. Heard, L. Grajciar, F. Uhlik, M. Shamzhy, M. Opanasenko, J. Cejka, and P. Nachtigall,
Zeolite (In)Stability under Aqueous or Steaming Conditions

Advanced Materials, 32(44), 2020

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C. J. Heard, L. Grajciar, F. Uhlík, M. Shamzhy, M. Opanasenko, J. Čejka, and P. Nachtigall,
Zeolite (In)Stability under Aqueous or Steaming Conditions

Advanced Materials, 32(44), 2020

catalysis hydrolysis mechanistic insight stability zeolites

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C. J. Heard, L. Grajciar, C. M. Rice, S. M. Pugh, P. Nachtigall, S. E. Ashbrook, and R. E. Morris,
Fast room temperature lability of aluminosilicate zeolites

Nature Communications, 10(1), 2019

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C. J. Heard, L. Grajciar, C. M. Rice, S. M. Pugh, P. Nachtigall, S. E. Ashbrook, and R. E. Morris,
Fast room temperature lability of aluminosilicate zeolites

Nature Communications, 10(1), 2019

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P. Lyu, M. Ertl, C. J. Heard, L. Grajciar, A. Radha, T. Martin, J. Breu, and P. Nachtigall,
Structure Determination of the Oxygen Evolution Catalyst Mössbauerite

The Journal of Physical Chemistry C, 123(41), 2019

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C. J. Heard, L. Grajciar, and P. Nachtigall,
The effect of water on the validity of Löwenstein\textquotesingles rule

Chemical Science, 10(22), 2019

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C. J. Heard, L. Grajciar, and P. Nachtigall,
The effect of water on the validity of Löwenstein\textquotesingles rule

Chemical Science, 10(22), 2019

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C. J. Heard, L. Grajciar, and P. Nachtigall,
The effect of water on the validity of Löwenstein's rule

Chemical Science, 10(22), 2019

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H. A. Abdulhussein, P. Ferrari, J. Vanbuel, C. Heard, A. Fielicke, P. Lievens, E. Janssens, and R. L. Johnston,
Altering CO binding on gold cluster cations by Pd-doping

Nanoscale, 11(34), 2019

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C. J. Heard, J. Čejka, M. Opanasenko, P. Nachtigall, G. Centi, and S. Perathoner,
2D Oxide Nanomaterials to Address the Energy Transition and Catalysis

Advanced Materials, 31(3), 2018

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C. J. Heard, J. Čejka, M. Opanasenko, P. Nachtigall, G. Centi, and S. Perathoner,
2D Oxide Nanomaterials to Address the Energy Transition and Catalysis

Advanced Materials, 31(3), 2018

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C. J. Heard, J. Cejka, M. Opanasenko, P. Nachtigall, G. Centi, and S. Perathoner,
2D Oxide Nanomaterials to Address the Energy Transition and Catalysis

Advanced Materials, 31(3), 2018

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L. Grajciar, C. J. Heard, A. A. Bondarenko, M. V. Polynski, J. Meeprasert, E. A. Pidko, and P. Nachtigall,
Towards operando computational modeling in heterogeneous catalysis

Chemical Society Reviews, 47(22), 2018

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