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

Total Cost €


EC-Contrib. €






Project "OPERANDOCAT" data sheet

The following table provides information about the project.


Organization address
city: Munich
postcode: 80539

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


Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
2    RUHR-UNIVERSITAET BOCHUM DE (BOCHUM) participant 284˙911.00


 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.


year authors and title journal last update
List of publications.
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 copper–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. Arán‐Ais, Joakim Halldin Stenlid, Egon Campos dos Santos, Logi Arnarson, Kim Degn Jensen, María Escudero‐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. Arán-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. Arán‐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: 17203-17209, ISSN: 0044-8249, DOI: 10.1002/ange.201910155
Angewandte Chemie 131/47 2020-01-30
2019 Mathies V. Evers, Miguel Bernal, Beatriz Roldan 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 Roldan 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. Arán-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 Rubén 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. Arán-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 Pérez-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-Jesús Velasco-Vélez, 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 Schlögl, 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 Fe–nitrogen–carbon (Fe–N–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 Roldán 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 Roldan 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 Roldan 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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