Plain text, RIS, BibTex Journal Articles by C. J. Heard C. Kanteler, P. Ferri, F. J. Escobar‐Bedia, Á. Mayoral, A. Vidal‐Moya, R. Kendra, C. Lei, M. Palomino et al. Hydrophobic MFI‐Type Zeolites via Alkali‐Cation‐Induced Defect Healing: Implications for Adsorbent and Catalyst Design Advanced Materials 38(56), 2026 DOI BibTeX N. L. Kelly, M. G. Stanzione, D. Brako-Amoafo, G. B. Lawrence, C. M. Rice, P. S. Wheatley, J. M. Keys, C. J. Heard et al. Room-Temperature Framework Oxygen Isotope Exchange during Interaction of Water with Hydrophilic Pure-Silica Zeolites Studied Using Nuclear Magnetic resonance Spectroscopy and Neutron Diffraction Journal of the American Chemical Society 148(12), 2026 DOI BibTeX N. L. Kelly, M. G. Stanzione, D. Brako-Amoafo, G. B. Lawrence, C. M. Rice, P. S. Wheatley, J. M. Keys, C. J. Heard et al. Room-Temperature Framework Oxygen Isotope Exchange during Interaction of Water with Hydrophilic Pure-Silica Zeolites Studied Using Nuclear Magnetic resonance Spectroscopy and Neutron Diffraction Journal of the American Chemical Society 148(12), 2026 DOI BibTeX T. Benešová, K. Pokorná, A. Erlebach and C. J. Heard Mobility and sintering of silica-supported platinum clusters via reactive neural network potentials Journal of Catalysis 453, 2026 DOI BibTeX T. Benešová, K. Pokorná, A. Erlebach and C. J. Heard Mobility and sintering of silica-supported platinum clusters via reactive neural network potentials Journal of Catalysis 453, 2026 DOI BibTeX H. Windeck, D. Willimetz, A. Erlebach, C. J. Heard, L. Grajciar, F. Berger and J. Sauer Water Adsorption at Pairs of Proximate Brønsted Acid Sites in Zeolites The Journal of Physical Chemistry Letters 17(4), 2026 DOI BibTeX T. Benešová, K. Pokorná, A. Erlebach and C. J. Heard Mobility and sintering of silica-supported platinum clusters via reactive neural network potentials Journal of Catalysis 453, 2026 DOI BibTeX D. A. Brako-Amoafo, N. L. Kelly, C. J. Heard, S. E. Ashbrook and R. E. Morris Non-innocent water in zeolite-based microporous liquids Chemical Communications 62(70), 2026 DOI BibTeX D. Willimetz, J. Martínez-Ortigosa, D. Brako-Amoafo, L. Grajciar, J. A. Vidal-Moya, C. Bornes, V. Sarou-Kanian, F. Rey et al. Aluminium siting in zeolite RTH from a combined machine learning – NMR approach Journal of Materials Chemistry A 14(18), 2026 DOI BibTeX R. M. Main, R. Ettlinger, T. K. Tajnšek, D. A. Brako-Amoafo, M. G. Stanzione, M. J. Duncan, P. Ettlinger, G. B. Lawrence et al. In Situ Single-Crystal X-ray Diffraction Studies of an Anomalous Nitric Oxide Adsorption in a Partially Activated Metal–Organic Framework Journal of the American Chemical Society 147(34), 2025 DOI BibTeX 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 255, 2025 DOI BibTeX 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 4(1), 2025 DOI BibTeX 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 255, 2025 DOI BibTeX 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 DOI BibTeX 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 DOI BibTeX 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 DOI BibTeX 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 DOI BibTeX 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 DOI BibTeX 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 DOI BibTeX C. J. Heard, L. Grajciar and A. Erlebach Migration of zeolite-encapsulated subnanometre platinum clusters via reactive neural network potentials Nanoscale 16(16), 2024 DOI BibTeX 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 DOI BibTeX 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 DOI BibTeX C. J. Heard, L. Grajciar and A. Erlebach Migration of zeolite-encapsulated subnanometre platinum clusters via reactive neural network potentials Nanoscale 16(16), 2024 DOI BibTeX 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 DOI BibTeX 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 DOI BibTeX 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 DOI BibTeX 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 DOI BibTeX 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 DOI BibTeX ab initio molecular dynamicsoctahedral aluminumsolid-state nmrzeolite hydrolysiszeolites 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 DOI BibTeX layered materialsmesoporous materialsmetal-support interactionrhodiumzeolites D. Hou and C. J. Heard Migration of zeolite-encapsulated Pt and Au under reducing environments Catal. Sci. Technol. 12, 2022 DOI BibTeX 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 DOI BibTeX 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 DOI BibTeX 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 DOI BibTeX 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 DOI BibTeX 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 DOI BibTeX 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 DOI BibTeX 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 DOI BibTeX 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 DOI BibTeX 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 DOI BibTeX catalysishydrolysismechanistic insightstabilityzeolites 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 DOI BibTeX 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 DOI BibTeX 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 DOI BibTeX C. J. Heard, L. Grajciar and P. Nachtigall The effect of water on the validity of Löwenstein\textquotesingles rule Chemical Science 10(22), 2019 DOI BibTeX C. J. Heard, L. Grajciar and P. Nachtigall The effect of water on the validity of Löwenstein\textquotesingles rule Chemical Science 10(22), 2019 DOI BibTeX C. J. Heard, L. Grajciar and P. Nachtigall The effect of water on the validity of Löwenstein's rule Chemical Science 10(22), 2019 DOI BibTeX 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 DOI BibTeX 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 DOI BibTeX 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 DOI BibTeX 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 DOI BibTeX 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 DOI BibTeX
