Publications by authors named "Philipp Plessow"

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Correction to "Anharmonic Adsorption Free Energies and Apparent Activation Barriers for Mobile Reactants Based on Molecular Dynamics Simulations".
Philipp N Plessow

J Chem Theory Comput· November 2025

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Anharmonic Adsorption Free Energies and Apparent Activation Barriers for Mobile Reactants Based on Molecular Dynamics Simulations.
Philipp N Plessow

J Chem Theory Comput· September 2025

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Accurate and Efficient Description of Acidic Zeolites with Plane-Wave Density Functional Theory Using Range-Separated Hybrid Functionals.
Philipp Huber, Philipp N Plessow

Chemphyschem· August 2025

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Adsorption of CO on α-AlO(0001): A Combined Experimental and Computational Study.
Siddhi Gojare, Shuang Chen, Jiachen Chen, Zairan Yu, Juana Vázquez Quesada

Chemphyschem· May 2025

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Probing Active Sites on Pd/Pt Alloy Nanoparticles by CO Adsorption.
Daniel Silvan Dolling, Jiachen Chen, Jan-Christian Schober, Marcus Creutzburg, Arno Jeromin, Philipp N Plessow

ACS Nano· November 2024

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Unveiling the Stability of Encapsulated Pt Catalysts Using Nanocrystals and Atomic Layer Deposition.
Gennaro Liccardo, Melissa C Cendejas, Shyama C Mandal, Michael L Stone, Stephen Porter, Philipp N Plessow

J Am Chem Soc· August 2024

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Stability of Hydroxylated α-FeO(0001) Surfaces.
Jiachen Chen, Dmitry I Sharapa, Philipp N Plessow

ACS Omega· August 2024

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Structure and Chemical Reactivity of Y-Stabilized ZrO Surfaces: Importance for the Water-Gas Shift Reaction.
Shuang Chen, Philipp N Pleßow, Zairan Yu, Eric Sauter, Lachlan Caulfield

Angew Chem Int Ed Engl· July 2024

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Anharmonic Correction to Free Energy Barriers from DFT-Based Molecular Dynamics Using Constrained Thermodynamic Integration.
Jonas Amsler, Philipp N Plessow, Felix Studt, Tomáš Bučko

J Chem Theory Comput· May 2023

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Metal-Support Interactions in Heterogeneous Catalysis: DFT Calculations on the Interaction of Copper Nanoparticles with Magnesium Oxide.
Amir H Hakimioun, Bart D Vandegehuchte, Daniel Curulla-Ferre, Kamila Kaźmierczak, Philipp N Plessow

ACS Omega· March 2023

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Rhodium Single-Atom Catalyst Design through Oxide Support Modulation for Selective Gas-Phase Ethylene Hydroformylation.
Marcos G Farpón, Wilson Henao, Philipp N Plessow, Eva Andrés, Raúl Arenal

Angew Chem Int Ed Engl· January 2023

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Templated encapsulation of platinum-based catalysts promotes high-temperature stability to 1,100 °C.
Aisulu Aitbekova, Chengshuang Zhou, Michael L Stone, Juan Salvador Lezama-Pacheco, An-Chih Yang, Philipp N Plessow

Nat Mater· November 2022

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Competition between reverse water gas shift reaction and methanol synthesis from CO: influence of copper particle size.
Laura Barberis, Amir H Hakimioun, Philipp N Plessow, Nienke L Visser, Joseph A Stewart

Nanoscale· September 2022

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Toward Computing Accurate Free Energies in Heterogeneous Catalysis: a Case Study for Adsorbed Isobutene in H-ZSM-5.
Kristof De Wispelaere, Philipp N Plessow, Felix Studt

ACS Phys Chem Au· September 2022

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Mechanistic differences between methanol and dimethyl ether in zeolite-catalyzed hydrocarbon synthesis.
Felix M Kirchberger, Yue Liu, Philipp N Plessow, Markus Tonigold, Felix Studt

Proc Natl Acad Sci U S A· January 2022

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Erratum: Vibrational Frequencies of Cerium-Oxide-Bound CO: A Challenge for Conventional DFT Methods [Phys. Rev. Lett. 125, 256101 (2020)].
Pablo G Lustemberg, Philipp Plessow, Yuemin Wang, Chengwu Yang, Alexei Nefedov

Phys Rev Lett· January 2022

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Single alloy nanoparticle x-ray imaging during a catalytic reaction.
Young Yong Kim, Thomas F Keller, Tiago J Goncalves, Manuel Abuin, Henning Runge, Philipp N Plessow

Sci Adv· October 2021

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A Mild One-Pot Reduction of Phosphine(V) Oxides Affording Phosphines(III) and Their Metal Catalysts.
Łukasz Kapuśniak, Philipp N Plessow, Damian Trzybiński, Krzysztof Woźniak, Peter Hofmann

Organometallics· March 2021

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Anharmonic Correction to Adsorption Free Energy from DFT-Based MD Using Thermodynamic Integration.
Jonas Amsler, Philipp N Plessow, Felix Studt, Tomáš Bučko

J Chem Theory Comput· February 2021

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Size-controlled nanocrystals reveal spatial dependence and severity of nanoparticle coalescence and Ostwald ripening in sintering phenomena.
Emmett D Goodman, Evan Z Carlson, Elisabeth M Dietze, Nadia Tahsini, Arun Johnson, Philipp N Plessow

Nanoscale· January 2021

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Vibrational Frequencies of Cerium-Oxide-Bound CO: A Challenge for Conventional DFT Methods.
Pablo G Lustemberg, Philipp N Plessow, Yuemin Wang, Chengwu Yang, Alexei Nefedov

Phys Rev Lett· December 2020

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Metal-Specific Reactivity in Single-Atom Catalysts: CO Oxidation on 4d and 5d Transition Metals Atomically Dispersed on MgO.
Bidyut B Sarma, Philipp N Plessow, Giovanni Agostini, Patricia Concepción, Norbert Pfänder

J Am Chem Soc· September 2020

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How Accurately Do Approximate Density Functionals Predict Trends in Acidic Zeolite Catalysis?
Philipp N Plessow, Felix Studt

J Phys Chem Lett· June 2020

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The transformation of cuboctahedral to icosahedral nanoparticles: atomic structure and dynamics.
Philipp N Plessow

Phys Chem Chem Phys· June 2020

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Prospects of Heterogeneous Hydroformylation with Supported Single Atom Catalysts.
Jonas Amsler, Bidyut B Sarma, Giovanni Agostini, Gonzalo Prieto, Philipp N Plessow

J Am Chem Soc· March 2020

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