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OPERANDOCAT SIGNED

In situ and Operando Nanocatalysis: Size, Shape and Chemical State Effects

Total Cost €

EC-Contrib. €

Partnership

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OPERANDOCAT project word cloud

Explore the words cloud of the OPERANDOCAT project. It provides you a very rough idea of what is the project "OPERANDOCAT" about.

catalyst complexity played valuable narrow variety devoted consideration distributions performance dynamic synergistic experimental interaction reaction size stable operando former conversion np tremendous reactions systematic isomer elusive methane model components world industrial fundamental societal oxidation direct methanol reactivity tailoring situ cutting routes fact gas relevance nanomaterials chemicals co2 shape nps edge chemical ethylene metal environment reutilization function fuels heterogeneous catalytic undertaken shapes atomic hydrogenation complicating independently characterization active prepared catalytically catalysis missing catalysts nanoparticles tunable structural nature advantage electrocatalytic

Project "OPERANDOCAT" data sheet

The following table provides information about the project.

Coordinator	MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN EV Organization address address: HOFGARTENSTRASSE 8 city: Munich postcode: 80539 website: www.mpg.de contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.
Coordinator Country	Germany [DE]
Total cost	2˙000˙000 €
EC max contribution	2˙000˙000 € (100%)
Programme	1. H2020-EU.1.1. (EXCELLENT SCIENCE - European Research Council (ERC))
Code Call	ERC-2016-COG
Funding Scheme	ERC-COG
Starting year	2017
Duration (year-month-day)	from 2017-05-01 to 2022-04-30

Partnership

Take a look of project's partnership.

#	participants	country	role	EC contrib. [€]
1	MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN EV MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN EV Organization address address: HOFGARTENSTRASSE 8 city: Munich postcode: 80539 website: www.mpg.de contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.	DE (Munich)	coordinator	1˙715˙088.00
2	RUHR-UNIVERSITAET BOCHUM RUHR-UNIVERSITAET BOCHUM Organization address address: UNIVERSITAETSSTRASSE 150 city: BOCHUM postcode: 44801 website: www.rub.de contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.	DE (BOCHUM)	participant	284˙911.00

Map

Project objective

Tailoring the chemical reactivity of nanomaterials at the atomic level is one of the most important challenges in catalysis research. In order to achieve this elusive goal, fundamental understanding of the structural and chemical properties of these complex systems must be obtained. Numerous studies have been devoted to understanding the properties that affect the catalytic performance of metal nanoparticles (NPs) such as their size, interaction with the support, and chemical state. The role played by the NP shape on catalytic performance is, however, less understood. Complicating the analysis is the fact that the former parameters cannot be considered independently, since the NP size as well as the support will have an impact on the most stable NP shapes. In addition, the dynamic nature of the NP catalysts and their response to the environment must be taken into consideration, since the working state of a NP catalyst might not be the state in which the catalyst was prepared, but rather a structural and/or chemical isomer that adapted to the particular reaction conditions. To address the complexity of real-world catalysts, a synergistic approach taking advantage of a variety of cutting-edge experimental methods must be undertaken. This project focuses on model heterogeneous catalysts for reactions of tremendous societal and industrial relevance, namely the gas-phase hydrogenation and electrocatalytic reduction of CO2. Important components that are missing from existing studies, and that we propose to contribute, are a systematic design of catalytically active model NPs with narrow size and shape distributions and tunable oxidation state, and in situ and operando structural, chemical, and reactivity characterization of such model catalysts as a function of the reaction environment. The results are expected to open up new routes for the reutilization of CO2 through its direct conversion into valuable chemicals and fuels such as methanol, methane and ethylene.

Publications

List of publications.
year	authors and title	journal	last update
2020	Janis Timoshenko, Hyo Sang Jeon, Ilya Sinev, Felix T. Haase, Antonia Herzog, Beatriz Roldan Cuenya Linking the evolution of catalytic properties and structural changes in copperâ€“zinc nanocatalysts using operando EXAFS and neural-networks published pages: , ISSN: 2041-6520, DOI: 10.1039/d0sc00382d	Chemical Science	2020-04-03
2019	Alexander Bagger, Rosa M. ArÃ¡nâ€Ais, Joakim Halldin Stenlid, Egon Campos dos Santos, Logi Arnarson, Kim Degn Jensen, MarÃa Escuderoâ€Escribano, Beatriz Roldan Cuenya, Jan Rossmeisl Ab Initio Cyclic Voltammetry on Cu(111), Cu(100) and Cu(110) in Acidic, Neutral and Alkaline Solutions published pages: 3096-3105, ISSN: 1439-4235, DOI: 10.1002/cphc.201900509	ChemPhysChem 20/22	2020-01-30
2019	Hyo Sang Jeon, Janis Timoshenko, Fabian Scholten, Ilya Sinev, Antonia Herzog, Felix T. Haase, Beatriz Roldan Cuenya Operando Insight into the Correlation between the Structure and Composition of CuZn Nanoparticles and Their Selectivity for the Electrochemical CO 2 Reduction published pages: 19879-19887, ISSN: 0002-7863, DOI: 10.1021/jacs.9b10709	Journal of the American Chemical Society 141/50	2020-01-30
2019	Dunfeng Gao, Ilya Sinev, Fabian Scholten, Rosa M. ArÃ¡n-Ais, Nuria J. Divins, Kristina Kvashnina, Janis Timoshenko, Beatriz Roldan Cuenya Selective CO 2 Electroreduction to Ethylene and Multicarbon Alcohols via Electrolyte-Driven Nanostructuring published pages: 17047-17053, ISSN: 1433-7851, DOI: 10.1002/anie.201910155	Angewandte Chemie International Edition 58/47	2020-01-30
2019	Janis Timoshenko, Mahdi Ahmadi, Beatriz Roldan Cuenya Is There a Negative Thermal Expansion in Supported Metal Nanoparticles? An in Situ X-ray Absorption Study Coupled with Neural Network Analysis published pages: 20594-20604, ISSN: 1932-7447, DOI: 10.1021/acs.jpcc.9b05037	The Journal of Physical Chemistry C 123/33	2020-01-30
2019	Arno Bergmann, Beatriz Roldan Cuenya Operando Insights into Nanoparticle Transformations during Catalysis published pages: 10020-10043, ISSN: 2155-5435, DOI: 10.1021/acscatal.9b01831	ACS Catalysis 9/11	2020-01-30
2019	Dunfeng Gao, Ilya Sinev, Fabian Scholten, Rosa M. ArÃ¡nâ€Ais, Nuria J. Divins, Kristina Kvashnina, Janis Timoshenko, Beatriz Roldan Cuenya Selective CO 2 Electroreduction to Ethylene and Multicarbon Alcohols via Electrolyteâ€Driven Nanostructuring published pages: 17203-17209, ISSN: 0044-8249, DOI: 10.1002/ange.201910155	Angewandte Chemie 131/47	2020-01-30
2019	Mathies V. Evers, Miguel Bernal, Beatriz Roldanâ€…Cuenya, Kristina Tschulik Piece by Piece-Electrochemical Synthesis of Individual Nanoparticles and their Performance in ORR Electrocatalysis published pages: 8221-8225, ISSN: 1433-7851, DOI: 10.1002/anie.201813993	Angewandte Chemie International Edition 58/24	2020-01-30
2018	Katharina Klingan, Tintula Kottakkat, Zarko P. Jovanov, Shan Jiang, Chiara Pasquini, Fabian Scholten, Paul Kubella, Arno Bergmann, Beatriz Roldanâ€…Cuenya, Christina Roth, Holger Dau Reactivity Determinants in Electrodeposited Cu Foams for Electrochemical CO 2 Reduction published pages: 3449-3459, ISSN: 1864-5631, DOI: 10.1002/cssc.201801582	ChemSusChem 11/19	2020-01-30
2019	Dunfeng Gao, Rosa M. ArÃ¡n-Ais, Hyo Sang Jeon, Beatriz Roldan Cuenya Rational catalyst and electrolyte design for CO2 electroreduction towards multicarbon products published pages: 198-210, ISSN: 2520-1158, DOI: 10.1038/s41929-019-0235-5	Nature Catalysis 2/3	2019-09-02
2019	RubÃ©n Rizo, Beatriz Roldan Cuenya Shape-Controlled Nanoparticles as Anodic Catalysts in Low-Temperature Fuel Cells published pages: 1484-1495, ISSN: 2380-8195, DOI: 10.1021/acsenergylett.9b00565	ACS Energy Letters 4/6	2019-09-02
2019	Fabian Scholten, Ilya Sinev, Miguel Bernal, Beatriz Roldan Cuenya Plasma-Modified Dendritic Cu Catalyst for CO 2 Electroreduction published pages: 5496-5502, ISSN: 2155-5435, DOI: 10.1021/acscatal.9b00483	ACS Catalysis 9/6	2019-09-02
2018	Rosa M. ArÃ¡n-Ais, Dunfeng Gao, Beatriz Roldan Cuenya Structure- and Electrolyte-Sensitivity in CO 2 Electroreduction published pages: 2906-2917, ISSN: 0001-4842, DOI: 10.1021/acs.accounts.8b00360	Accounts of Chemical Research 51/11	2019-09-02
2018	Ioannis Zegkinoglou, Lukas Pielsticker, Zhong-Kang Han, Nuria J. Divins, David Kordus, Yen-Ting Chen, Carlos Escudero, Virginia PÃ©rez-Dieste, Beien Zhu, Yi Gao, Beatriz Roldan Cuenya Surface Segregation in CuNi Nanoparticle Catalysts During CO 2 Hydrogenation: The Role of CO in the Reactant Mixture published pages: 8421-8428, ISSN: 1932-7447, DOI: 10.1021/acs.jpcc.8b09912	The Journal of Physical Chemistry C 123/13	2019-09-02
2017	Hyo Sang Jeon, Sebastian Kunze, Fabian Scholten, Beatriz Roldan Cuenya Prism-Shaped Cu Nanocatalysts for Electrochemical CO 2 Reduction to Ethylene published pages: 531-535, ISSN: 2155-5435, DOI: 10.1021/acscatal.7b02959	ACS Catalysis 8/1	2019-09-02
2018	M. Bernal, A. Bagger, F. Scholten, I. Sinev, A. Bergmann, M. Ahmadi, J. Rossmeisl, B. Roldan Cuenya CO2 electroreduction on copper-cobalt nanoparticles: Size and composition effect published pages: 27-36, ISSN: 2211-2855, DOI: 10.1016/j.nanoen.2018.08.027	Nano Energy 53	2019-09-02
2018	Dunfeng Gao, Ian T. McCrum, Shyam Deo, Yong-Wook Choi, Fabian Scholten, Weiming Wan, Jingguang G. Chen, Michael J. Janik, Beatriz Roldan Cuenya Activity and Selectivity Control in CO 2 Electroreduction to Multicarbon Products over CuO x Catalysts via Electrolyte Design published pages: 10012-10020, ISSN: 2155-5435, DOI: 10.1021/acscatal.8b02587	ACS Catalysis 8/11	2019-09-02
2018	Hyo Sang Jeon, Ilya Sinev, Fabian Scholten, Nuria J. Divins, Ioannis Zegkinoglou, Lukas Pielsticker, Beatriz Roldan Cuenya Operando Evolution of the Structure and Oxidation State of Size-Controlled Zn Nanoparticles during CO 2 Electroreduction published pages: 9383-9386, ISSN: 0002-7863, DOI: 10.1021/jacs.8b05258	Journal of the American Chemical Society 140/30	2019-09-02
2019	M. Ahmadi, J. Timoshenko, F. Behafarid, B. Roldan Cuenya Tuning the Structure of Pt Nanoparticles through Support Interactions: An in Situ Polarized X-ray Absorption Study Coupled with Atomistic Simulations published pages: 10666-10676, ISSN: 1932-7447, DOI: 10.1021/acs.jpcc.9b00945	The Journal of Physical Chemistry C 123/16	2019-09-02
2018	Juan-JesÃºs Velasco-VÃ©lez, Travis Jones, Dunfeng Gao, Emilia Carbonio, Rosa Arrigo, Cheng-Jhih Hsu, Yu-Cheng Huang, Chung-Li Dong, Jin-Ming Chen, Jyh-Fu Lee, Peter Strasser, Beatriz Roldan Cuenya, Robert SchlÃ¶gl, Axel Knop-Gericke, Cheng-Hao Chuang The Role of the Copper Oxidation State in the Electrocatalytic Reduction of CO 2 into Valuable Hydrocarbons published pages: 1485-1492, ISSN: 2168-0485, DOI: 10.1021/acssuschemeng.8b05106	ACS Sustainable Chemistry & Engineering 7/1	2019-09-02
2018	Nathaniel Leonard, Wen Ju, Ilya Sinev, Julian Steinberg, Fang Luo, Ana Sofia Varela, Beatriz Roldan Cuenya, Peter Strasser The chemical identity, state and structure of catalytically active centers during the electrochemical CO 2 reduction on porous Feâ€“nitrogenâ€“carbon (Feâ€“Nâ€“C) materials published pages: 5064-5073, ISSN: 2041-6520, DOI: 10.1039/c8sc00491a	Chemical Science 9/22	2019-09-02
2019	Yong-Wook Choi, Fabian Scholten, Ilya Sinev, Beatriz Roldan Cuenya Enhanced Stability and CO/Formate Selectivity of Plasma-Treated SnO x /AgO x Catalysts during CO 2 Electroreduction published pages: 5261-5266, ISSN: 0002-7863, DOI: 10.1021/jacs.8b12766	Journal of the American Chemical Society 141/13	2019-09-02
2017	Lukas Pielsticker, Ioannis Zegkinoglou, Nuria J. Divins, Hemma Mistry, Yen-Ting Chen, Aleksander Kostka, Jorge Anibal Boscoboinik, Beatriz RoldÃ¡n Cuenya Segregation Phenomena in Size-Selected Bimetallic CuNi Nanoparticle Catalysts published pages: 919-926, ISSN: 1520-6106, DOI: 10.1021/acs.jpcb.7b06984	The Journal of Physical Chemistry B 122/2	2019-09-02
2018	Philipp Grosse, Dunfeng Gao, Fabian Scholten, Ilya Sinev, Hemma Mistry, Beatriz Roldanâ€…Cuenya Dynamic Changes in the Structure, Chemical State and Catalytic Selectivity of Cu Nanocubes during CO 2 Electroreduction: Size and Support Effects published pages: 6192-6197, ISSN: 1433-7851, DOI: 10.1002/anie.201802083	Angewandte Chemie International Edition 57/21	2019-09-02
2017	Hemma Mistry, Yong-Wook Choi, Alexander Bagger, Fabian Scholten, Cecile S. Bonifacio, Ilya Sinev, Nuria J. Divins, Ioannis Zegkinoglou, Hyo Sang Jeon, Kim Kisslinger, Eric A. Stach, Judith C. Yang, Jan Rossmeisl, Beatriz Roldanâ€…Cuenya Enhanced Carbon Dioxide Electroreduction to Carbon Monoxide over Defect-Rich Plasma-Activated Silver Catalysts published pages: 11394-11398, ISSN: 1433-7851, DOI: 10.1002/anie.201704613	Angewandte Chemie International Edition 56/38	2019-06-12

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