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Articles by Scott Docherty
Key Drivers of Activity and Selectivity in Cu-Based Catalysts for Methanol Synthesis From CO 2 : Insights From Atomically Dispersed Promoters
1 Introduction One promising strategy to mitigate greenhouse gas emissions and combat global warming is the conversion of CO2 into valuable products using green (e.g., produced through water electrolysis sourced by renewable energies) or blue H2. Among such chemicals, methanol is positioned as the most versatile chemical feedstock and energy carrier toward a fossil-fuel–free economy, known as the “methanol economy” [1].
Reduction Inverts the Thermodynamics of the Stone–Wales Rearrangement Click to copy article link Article link copied!
Cite Jump to ExpandCollapse CommunicationJuly 17, 2026 Reduction Inverts the Thermodynamics of the Stone–Wales Rearrangement Click to copy article linkArticle link copied! Daniel Čavlović* Daniel Čavlović Department of Chemistry, University of Zurich, Winterthurerstrasse 190, CH-8057 Zurich, Switzerland Department of Chemistry, Columbia University, New York, New York 10027, United States *Email: [email protected] Jacklin H. Smith Jacklin H.
Mapping Alkyne Chemical Space-Classifying the Reactivity of Alkynes in Semihydrogenation and beyond Using a Data Science Framework
1 Introduction The selective semi-hydrogenation of alkynes is a classical yet challenging transformation in organic chemistry, with industrial applications from fine- to petro-chemicals [1-3]. The Lindlar catalyst, [4] based on palladium and lead, has long been the standard for this process, but its drawbacks include the scarcity of palladium, the toxicity of lead, and issues with substrate scope and over-hydrogenation.
Contorted acene ribbons for stable and ultrasensitive neural probes
Abstract Organic materials that conduct both electrons and ions are integral to implantable bioelectronics because of their conformable nature. There is a dearth of these materials that are highly sensitive to cations, which are the majority ions on the surface of neurons. This manuscript offers a solution using an extended ribbon structure that is defect-free, providing high electronic mobility along its fused backbone, while the edge structure of these ribbons promotes high ionic conductivity.
Origin of Reactivity Trends of an Elusive Metathesis Intermediate from NMR Chemical Shift Analysis of Surrogate Analogues
Download Hi-Res ImageDownload to MS-PowerPointCite This:J. Am. Chem. Soc. 2024, XXXX, XXX RETURN TO ARTICLES ASAPPREVArticleNEXT , , , , Michael Wörle Department of Chemistry and Applied Biosciences, ETH Zürich, Zürich CH-8093, Switzerland , * , and * LEARN ABOUT THESE METRICS Article Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals.
Metadynamics simulations reveal alloying-dealloying processes for bimetallic PdGa nanoparticles under CO2 hydrogenation
Metadynamics simulations reveal alloying-dealloying processes for bimetallic PdGa nanoparticles under CO2 hydrogenation† Supported bimetallic nanoparticles (NPs) often display improved catalytic performances (activity and/or selectivity). Yet, structure–activity relationships are difficult to derive due to the multitude of possible compositions, interfaces and alloys.
109Ag NMR Chemical Shift as a Descriptor for Brønsted Acidity from Molecules to Materials
109Ag NMR Chemical Shift as a Descriptor for Brønsted Acidity from Molecules to Materials Molecular-level understanding of the acid/base properties of heterogeneous catalysts requires the development of selective spectroscopic probes to establish structure-activity relationships.
Probing the Nature of Surface Hydrides by Deuterium Quadrupolar Parameters: A Case Study on Silica‐supported Zirconium Hydrides
Supporting Information As a service to our authors and readers, this journal provides supporting information supplied by the authors. Such materials are peer reviewed and may be re-organized for online delivery, but are not copy-edited or typeset. Technical support issues arising from supporting information (other than missing files) should be addressed to the authors.
71Ga NMR Signatures of Lewis and Brønsted Acid Sites in Gallium Silicates Evidenced and Deciphered upon Interaction with Probe Molecules
Download Hi-Res ImageDownload to MS-PowerPointCite This:J. Phys. Chem. C 2023, XXXX, XXX Terms & Conditions Most electronic Supporting Information files are available without a subscription to ACS Web Editions. Such files may be downloaded by article for research use (if there is a public use license linked to the relevant article, that license may permit other uses).
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Surface Redox Dynamics in Gold-Zinc CO2 Hydrogenation Catalysts
Au–Zn catalysts have previously been shown to promote the hydrogenation of CO2 to methanol, but their active state is poorly understood. Here, silica-supported bimetallic Au–Zn alloys, prepared by surface organometallic chemistry (SOMC), are shown to be proficient catalysts for hydrogenation of CO2 to methanol.
Geometry and Local Environment of Surface Sites in Vanadium-Based Ziegler-Natta Catalysts from 51V Solid-State NMR Spectroscopy
Download Hi-Res ImageDownload to MS-PowerPointCite This:J. Am. Chem. Soc. 2023, XXXX, XXX CCDC 2268764–2268766 contain the supplementary crystallographic data for this paper. These data can be obtained free of charge via www.ccdc.cam.ac.uk/data_request/cif, or by emailing data_request@ccdc.cam.ac.uk, or by contacting The Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, UK; fax: +44 1223 336033.
The promotional role of Mn in CO2 hydrogenation over Rh-based catalysts from a surface organometallic chemistry approach
The promotional role of Mn in CO2 hydrogenation over Rh-based catalysts from a surface organometallic chemistry approach Wei Zhou, Scott Docherty, Christian Ehinger, Xiaoyu Zhou and Christophe Coperet Abstract Rh-based catalysts modified by transition metals have been intensely studied for CO2 hydrogenation due to their high activity. However, understanding the role of promoters at the molecular-level remains challenging due to the ill-defined structure of heterogeneous catalysts.
From ethene to propene (ETP) on tailored silica–alumina supports with isolated Ni(II) sites: uncovering the importance of surface nickel aluminate sites and the carbon-pool mechanism
From ethene to propene (ETP) on tailored silica–alumina supports with isolated Ni(ii) sites: uncovering the importance of surface nickel aluminate sites and the carbon-pool mechanism† Zixuan Chen, a Scott R. Docherty, b Pierre Florian, c Agnieszka Kierzkowska, a Ilia B. Moroz, b Paula M. Abdala, a Christophe Copéret, *b Christoph R. Müller *a and Alexey Fedorov *a Abstract Catalysts with well-defined isolated Ni(II) surface sites have been prepared on three silica-based supports.
Surface Intermediates in In-Based ZrO2-Supported Catalysts for Hydrogenation of CO2 to Methanol
Introduction Despite intense research efforts to develop efficient catalysts, the direct hydrogenation of CO2 to methanol has not been implemented on an industrial scale. (1) Recent studies have shown that In2O3-based CO2 hydrogenation catalysts display promising activity and selectivity to methanol.
Deciphering Metal-Oxide and Metal-Metal Interplay via Surface Organometallic Chemistry: A Case Study with CO2 Hydrogenation to Methanol
Processes that rely on heterogeneous catalysts underpin the production of bulk chemicals and fuels. In spite of this, understanding of the interplay between the structure and reactivity of these complex materials remains elusive—rendering rational improvement of existing systems challenging. Herein, we describe efforts to understand complex materials capable of selective thermochemical conversion of CO2 to methanol using a surface organometallic chemistry (SOMC) approach.
Heterogeneous alkane dehydrogenation catalysts investigated via a surface organometallic chemistry approach
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Facile Synthesis of Unsymmetrical Trialkoxysilanols: (RO)2(R′O)SiOH
Trialkoxysilanols, (RO) SiOH, are useful as ligands in transition‐metal complexes because they provide models for silica‐supported metal sites or precursors for the thermolytic precursor approach. However, their synthesis is mostly limited to symmetrical ones, where all RO ligands are the same.
Facile Synthesis of Unsymmetrical Trialkoxysilanols: (RO)2(R'O)SiOH
Trialkoxysilanols, (RO) SiOH, are useful as ligands in transition-metal complexes because they provide models for silica-supported metal sites or precursors for the thermolytic precursor approach. However, their synthesis is mostly limited to symmetrical ones, where all RO ligands are the same.
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