Plain text, RIS, BibTex Journal Articles by P. Nachtigall 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 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 P. Eliášová, B. Šmíd, J. Vejpravová, S. Li, F. Brivio, M. Mazur, D. N. Rainer, M. I. H. Mohideen et al. The preparation route and final form of V-MXenes override the effect of the O/F ratio on their magnetic properties Journal of Materials Chemistry C 12(15), 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. Erlebach, P. Nachtigall and L. Grajciar Accurate large-scale simulations of siliceous zeolites by neural network potentials npj Computational Materials 8(1), 2022 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 S. Li, J. He, L. Grajciar and P. Nachtigall Intrinsic valley polarization in 2D magnetic MXenes: surface engineering induced spin-valley coupling Royal Society of Chemistry (RSC), 2021 DOI BibTeX S. Li, J. He, P. Nachtigall, L. Grajciar and F. Brivio Doping isolated one-dimensional antiferromagnetic semiconductor vanadium tetrasulfide (VS4) nanowires with carriers induces half-metallicity Royal Society of Chemistry (RSC), 2021 DOI BibTeX S. Li, J. He, P. Nachtigall, L. Grajciar and F. Brivio Doping isolated one-dimensional antiferromagnetic semiconductor vanadium tetrasulfide (VS4) nanowires with carriers induces half-metallicity Journal of Materials Chemistry C 9(9), 2021 DOI BibTeX S. Li, J. He, L. Grajciar and P. Nachtigall Intrinsic Valley Polarization in 2D Magnetic MXenes: Surface Engineering Induced Spin-valley Coupling J. Mater. Chem. C, 2021 DOI BibTeX Z. Cao, Y. Xu, P. Lyu, M. Dierks, Á. Morales-García, W. Schrader, P. Nachtigall and F. Schüth Flexibilization of Biorefineries: Tuning Lignin Hydrogenation by Hydrogen Partial Pressure Wiley, 2020 DOI BibTeX Z. Cao, Y. Xu, P. Lyu, M. Dierks, A. Morales-Garcia, W. Schrader, P. Nachtigall and F. Schuth Flexibilization of Biorefineries: Tuning Lignin Hydrogenation by Hydrogen Partial Pressure ChemSusChem 14(1), 2020 DOI BibTeX M. Opanasenko, M. Shamzhy, Y. Wang, W. Yan, P. Nachtigall and J. Čejka Synthesis and Post-Synthesis Transformation of Germanosilicate Zeolites Wiley, 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 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 M. Opanasenko, M. Shamzhy, Y. Wang, W. Yan, P. Nachtigall and J. Čejka Synthesis and Post-Synthesis Transformation of Germanosilicate Zeolites 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 M. Opanasenko, M. Shamzhy, Y. Wang, W. Yan, P. Nachtigall and J. Cejka Synthesis and Post-Synthesis Transformation of Germanosilicate Zeolites Angewandte Chemie International Edition 59(44), 2020 DOI BibTeX P. Lyu and P. Nachtigall Systematic computational investigation of an Ni3Fe catalyst for the OER Elsevier BV, 2020 DOI BibTeX P. Lyu and P. Nachtigall Systematic computational investigation of an Ni3Fe catalyst for the OER Catalysis Today 345, 2020 DOI BibTeX J. He, P. Lyu and P. Nachtigall Two-dimensional tetragonal GaOI and InOI sheets: In-plane anisotropic optical properties and application to photocatalytic water splitting Catalysis Today 340, 2020 DOI BibTeX J. He, P. Lyu and P. Nachtigall Two-dimensional tetragonal GaOI and InOI sheets: In-plane anisotropic optical properties and application to photocatalytic water splitting Catalysis Today 340, 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 M. Opanasenko, M. Shamzhy, Y. Wang, W. Yan, P. Nachtigall and J. Cejka Synthesis and Post-Synthesis Transformation of Germanosilicate Zeolites Angewandte Chemie-International Edition 59(44), 2020 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 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 R. Kulkarni, Y. Noda, D. K. Barange, Y. S. Kochergin, P. Lyu, B. Balcarova, P. Nachtigall and M. J. Bojdys Real-time optical and electronic sensing with a pbeta-amino enone linked, triazine-containing 2D covalent organic framework Nature Communications 10(1), 2019 DOI BibTeX H. V. Thang, J. Vaculík, J. Přech, M. Kubů, J. Čejka, P. Nachtigall, R. Bulánek and L. Grajciar The Brønsted acidity of three- and two-dimensional zeolites Microporous and Mesoporous Materials 282, 2019 DOI BibTeX M. Ertl, Z. Ma, T. Thersleff, P. Lyu, S. Huettner, P. Nachtigall, J. Breu and A. Slabon Mössbauerite as Iron-Only Layered Oxyhydroxide Catalyst for WO3 Photoanodes Inorganic Chemistry 58(15), 2019 DOI BibTeX M. Ertl, Z. Ma, T. Thersleff, P. Lyu, S. Huettner, P. Nachtigall, J. Breu and A. Slabon Mössbauerite as Iron-Only Layered Oxyhydroxide Catalyst for WO3 Photoanodes Inorganic Chemistry, 2019 DOI BibTeX R. Kulkarni, Y. Noda, D. K. Barange, Y. S. Kochergin, P. Lyu, B. Balcarova, P. Nachtigall and M. J. Bojdys Real-time optical and electronic sensing with a pbeta-amino enone linked, triazine-containing 2D covalent organic framework Nature Communications 10(1), 2019 DOI BibTeX S. Li, J. He, P. Nachtigall, L. Grajciar and F. Brivio Control of spintronic and electronic properties of bimetallic and vacancy-ordered vanadium carbide MXenes via surface functionalization Physical Chemistry Chemical Physics 21(46), 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 M. I. H. Mohideen, C. Lei, J. Tuček, O. Malina, F. Brivio, V. Kasneryk, Z. Huang, M. Mazur et al. Magneto-structural correlations of novel kagomé-type metal organic frameworks Journal of Materials Chemistry C 7(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 D. Schwarz, A. Acharjya, A. Ichangi, Y. S. Kochergin, P. Lyu, M. V. Opanasenko, J. Tarábek, J. V. Chocholoušová et al. Tuning the Porosity and Photocatalytic Performance of Triazine-Based Graphdiyne Polymers through Polymorphism ChemSusChem 12(1), 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. 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 Dr. D. Schwarz, A. Acharja, A. Ichangi, P. Lyu, Dr. M. V. Opanasenko, F. R. Goßler, T. A. F. König, P. D. J. Čejka et al. Fluorescent Sulphur- and Nitrogen-Containing Porous Polymers with Tuneable Donor-Acceptor Domains for Light-Driven Hydrogen Evolution Chemistry - A European Journal 24(46), 2018 DOI BibTeX J. Liu, Y. Yang, P. Lyu, P. Nachtigall and Y. Xu Few-Layer Silicene Nanosheets with Superior Lithium-Storage Properties Advanced Materials 30(26), 2018 DOI BibTeX T. V. Ho, P. Nachtigall and L. Grajciar The Lewis acidity of three- and two-dimensional zeolites: The effect of framework topology Catalysis Today 304, 2018 DOI BibTeX J. Liu, P. Lyu, Y. Zhang, P. Nachtigall and Y. Xu New Layered Triazine Framework/Exfoliated 2D Polymer with Superior Sodium-Storage Properties Advanced Materials 30(11), 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 M. Mazur, A. Arévalo-López, P. S. Wheatley, G. P. M. Bignami, S. E. Ashbrook, Á. Morales-García, P. Nachtigall, J. P. Attfield et al. Pressure-induced chemistry for the 2D to 3D transformation of zeolites Journal of Materials Chemistry A 6(13), 2018 DOI BibTeX J. Čejka, P. Nachtigall and G. Centi New catalytic materials for energy and chemistry in transition Chemical Society Reviews 47(22), 2018 DOI BibTeX Á. Morales-García, J. He, P. Lyu and P. Nachtigall Exploring the stability and reactivity of Ni2P and Mo2C catalysts using ab initio atomistic thermodynamics and conceptual DFT approaches Biomass Conversion and Biorefinery 7(3), 2017 DOI BibTeX D. Schwarz, Y. S. Kochergin, A. Acharjya, A. Ichangi, M. V. Opanasenko, J. čejka, U. Lappan, P. Arki et al. Tailored Band Gaps in Sulfur- and Nitrogen-Containing Porous Donor-Acceptor Polymers Chemistry - A European Journal 23(53), 2017 DOI BibTeX D. Schwarz, Y. Noda, J. Klouda, K. Schwarzová-Pecková, J. Tarábek, J. Rybáček, J. Janoušek, F. Simon et al. Twinned Growth of Metal-Free, Triazine-Based Photocatalyst Films as Mixed-Dimensional (2D/3D) van der Waals Heterostructures Advanced Materials 29(40), 2017 DOI BibTeX D. S. Firth, S. A. Morris, P. S. Wheatley, S. E. Russell, A. M. Z. Slawin, D. M. Dawson, A. Mayoral, M. Opanasenko et al. Assembly–Disassembly–Organization–Reassembly Synthesis of Zeolites Based on cfi -Type Layers Chemistry of Materials 29(13), 2017 DOI BibTeX D. S. Firth, S. A. Morris, P. S. Wheatley, S. E. Russell, A. M. Z. Slawin, D. M. Dawson, A. Mayoral, M. Opanasenko et al. Assembly\textendashDisassembly\textendashOrganization\textendashReassembly Synthesis of Zeolites Based on cfi-Type Layers Chemistry of Materials 29(13), 2017 DOI BibTeX J. Engelhardt, P. Lyu, P. Nachtigall, F. Schüth and á. M. García The Influence of Water on the Performance of Molybdenum Carbide Catalysts in Hydrodeoxygenation Reactions: A Combined Theoretical and Experimental Study ChemCatChem 9(11), 2017 DOI BibTeX J. Engelhardt, P. Lyu, P. Nachtigall, F. Schüth and Á. M. García The Influence of Water on the Performance of Molybdenum Carbide Catalysts in Hydrodeoxygenation Reactions: A Combined Theoretical and Experimental Study ChemCatChem 9(11), 2017 DOI BibTeX J. He, X. Li, P. Lyu and P. Nachtigall Near-room-temperature Chern insulator and Dirac spin-gapless semiconductor: nickel chloride monolayer Nanoscale 9(6), 2017 DOI BibTeX J. He, X. Li, P. Lyu and P. Nachtigall Near-room-temperature Chern insulator and Dirac spin-gapless semiconductor: nickel chloride monolayer Nanoscale 9(6), 2017 DOI BibTeX P. Lyu, J. He and P. Nachtigall Theoretical investigation of CO catalytic oxidation by a Fe–PtSe 2 monolayer RSC Advances 7(32), 2017 DOI BibTeX J. He, X. Li, P. Lyu and P. Nachtigall Near-room-temperature Chern insulator and Dirac spin-gapless semiconductor: nickel chloride monolayer Nanoscale 9(6), 2017 DOI BibTeX J. He, P. Lyu, L. Z. Sun, A. M. García and P. Nachtigall High temperature spin-polarized semiconductivity with zero magnetization in two-dimensional Janus MXenes J. Mater. Chem. C 4, 2016 DOI BibTeX J. He, P. Lyu, L. Z. Sun, Á. M. García and P. Nachtigall High temperature spin-polarized semiconductivity with zero magnetization in two-dimensional Janus MXenes Journal of Materials Chemistry C 4(27), 2016 DOI BibTeX J. He, S. Ma, P. Lyu and P. Nachtigall Unusual Dirac half-metallicity with intrinsic ferromagnetism in vanadium trihalide monolayers Journal of Materials Chemistry C 4(13), 2016 DOI BibTeX S. A. Morris, P. S. Wheatley, M. Položij, P. Nachtigall, P. Eliášová, J. Čejka, T. C. Lucas, J. A. Hriljac et al. Combined PDF and Rietveld studies of ADORable zeolites and the disordered intermediate IPC-1P Dalton Transactions 45(36), 2016 DOI BibTeX J. He, P. Lyu and P. Nachtigall New two-dimensional Mn-based MXenes with room-temperature ferromagnetism and half-metallicity Journal of Materials Chemistry C 4(47), 2016 DOI BibTeX M. Mazur, P. S. Wheatley, M. Navarro, W. J. Roth, M. Polozij, A. Mayoral, P. Eliášová, P. Nachtigall et al. Synthesis of `unfeasible' zeolites Nature Chemistry 8(1), 2015 DOI BibTeX L. Grajciar, P. Nachtigall, O. Bludský and M. Rubeš Accurate Ab Initio Description of Adsorption on Coordinatively Unsaturated Cu2\mathplus and Fe3\mathplus Sites in MOFs Journal of Chemical Theory and Computation 11(1), 2014 DOI BibTeX
