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Photocatalytic Processes at Solvated Interfaces

English title Photocatalytic Processes at Solvated Interfaces
Applicant Patzke Greta Ricarda
Number 160801
Funding scheme Sinergia
Research institution Institut für Chemie Universität Zürich
Institution of higher education University of Zurich - ZH
Main discipline Inorganic Chemistry
Start/End 01.02.2016 - 31.12.2019
Approved amount 1'593'704.00
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All Disciplines (2)

Discipline
Inorganic Chemistry
Physical Chemistry

Keywords (8)

electron transfer reactions; transient ATR spectroscopy; interface simulations; photocatalysis; 2D ATR-IR spectroscopy; solid/liquid interfaces; water splitting; surface sensitive spectroscopy

Lay Summary (German)

Lead
Die künstliche Photosynthese ist eine vielversprechende und elegante Strategie zur Umwandlung solarer Ressourcen in nachhaltige chemische Energieträger. Die Entwicklung effizienter Katalysatoren zur Wasserreduktion bzw.- oxidation bleibt eine grosse Herausforderung auf dem Weg zu technischen Anwendungen. Im Mittelpunkt des Projekts steht daher die Untersuchung molekularer Katalysatoren an Grenzflächen in Lösung, um ihr beträchtliches Design-Potential voll auszuschöpfen. Die Stabilisierung von Katalysator-Molekülen auf Oberflächen erlaubt die Aufklärung ihrer einzelnen Reaktionsschritte durch spektroskopische und komplementäre theoretische Methoden, die im Laufe der einzelnen Teilprojekte weiterentwickelt werden. Die daraus resultierende gesamthafte Einsicht in das Verhalten der verschiedenen Katalysator-Typen an solvatisierten Grenzflächen ebnet den Weg zu ihrer gezielten Entwicklung für stabile Komposit-Systeme in der künstlichen Photosynthese.
Lay summary

 Inhalt und Ziel des Forschungsprojektes:

Das Projekt besteht aus vier Einzelprojekten, die synthetische, spektroskopische und theoretische Strategien zur Untersuchung molekularer Katalysatoren zur Wasserreduktion und -oxidation an solvatisierten Grenzflächen kooperativ verbinden. Im ersten Projekt werden neuartige Kombinationen von molekularen Wasserreduktions-Katalysatoren mit Photosensitizern und Elektronen-Akzeptoren auf Oberflächen konstruiert und im Hinblick auf ihre Elektronentransferprozesse untersucht. Im Mittelpunkt des zweiten Projektes stehen biomimetische molekulare Wasseroxidations-Katalysatoren, die auf geeigneten Oberflächen stabilisiert werden, um ihre Reaktionsmechanismen mit neuartigen spektroskopischen Methoden zu untersuchen. Diese Methoden werden im dritten Projekt entwickelt und decken ein weites Spektrum von Zeitskalen und Systemen ab, u.a. mit neuartigen in situ 2D-ATR-FTIR spektroskopischen Untersuchungen elektrokatalytischer Oberflächen oder ultraschnellen UV/VIS-pump-ATR-IR probe Techniken. Das vierte Projekt wird komplette experimentelle Systeme aus solvatisierten Oberflächen im Kontakt mit reaktiven Molekülen theoretisch modellieren, und so mit neuen mechanistischen Einsichten die experimentellen Resultate komplementieren.

 

Wissenschaftlicher und gesellschaftlicher Kontext:

 Das Forschungsnetzwerk wird in umfassender Weise die Reaktionswege molekularer Katalysatoren an Oberflächen untersuchen, um diese als stabile Komponenten in katalytischen Komposit-Elementen optimal zu nutzen. Die Ergebnisse werden das aktuelle interdisziplinäre Feld der Kombination von Molekular- und Festkörperchemie weiter entwickeln. Dies ist ein entscheidender Schritt zur maximalen Erschliessung innovativer chemischer Synthesestrategien für zukünftige künstliche Photosynthese-Systeme.

 

Direct link to Lay Summary Last update: 09.11.2015

Responsible applicant and co-applicants

Employees

Publications

Publication
Self-Templating Strategies for Transition Metal Sulfide Nanoboxes as Robust Bifunctional Electrocatalysts
ZhaoYonggui, MavrokefalosChristos, ZhangPing, ErniRolf, LiJingguo, TrianaCarlos A, PatzkeGreta R (2020), Self-Templating Strategies for Transition Metal Sulfide Nanoboxes as Robust Bifunctional Electrocatalysts, in Chemistry of Materials, online.
Molybdenum-Doped Manganese Oxide as a Highly Efficient and Economical Water Oxidation Catalyst
Balaghi S. Esmael, Triana C. A., Patzke Greta R. (2020), Molybdenum-Doped Manganese Oxide as a Highly Efficient and Economical Water Oxidation Catalyst, in ACS Catalysis, 2074-2087.
Combined orbital tomography study of multi-configurational molecular adsorbate systems
Kliuiev Pavel, Zamborlini Giovanni, Jugovac Matteo, Gurdal Yeliz, Arx Karin von, Waltar Kay, Schnidrig Stephan, Alberto Roger, Iannuzzi Marcella, Feyer Vitaliy, Hengsberger Matthias, Osterwalder Jürg, Castiglioni Luca (2019), Combined orbital tomography study of multi-configurational molecular adsorbate systems, in Nature Communications, 10(1), 5255-5255.
[Co II (BPyPy 2 COH)(OH 2 ) 2 ] 2+ : A Catalytic Pourbaix Diagram and AIMD Simulations on Four Key Intermediates
Alberto Roger, Iannuzzi Marcella, Gurdal Yeliz, Probst Benjamin (2019), [Co II (BPyPy 2 COH)(OH 2 ) 2 ] 2+ : A Catalytic Pourbaix Diagram and AIMD Simulations on Four Key Intermediates, in CHIMIA International Journal for Chemistry, 73(11), 906-912.
Soft Templating and Disorder in an Applied 1D Cobalt Coordination Polymer Electrocatalyst
Triana C.A., Moré René, Bloomfield Aaron J., Petrović Predrag V., Ferrón Sara Goberna, Stanley George, Zarić Snežana D., Fox Thomas, Brothers Edward N., Sheehan Stafford W., Anastas Paul T., Patzke Greta R. (2019), Soft Templating and Disorder in an Applied 1D Cobalt Coordination Polymer Electrocatalyst, in Matter, 1(5), 1354-1369.
Pathways towards true catalysts: computational modelling and structural transformations of Zn-polyoxotungstates
Ni Lubin, Güttinger Robin, Triana C. A., Spingler Bernhard, Baldridge Kim K., Patzke Greta R. (2019), Pathways towards true catalysts: computational modelling and structural transformations of Zn-polyoxotungstates, in Dalton Transactions, 48(35), 13293-13304.
Preparative History vs Driving Force in Water Oxidation Catalysis: Parameter Space Studies of Cobalt Spinels
Reith Lukas, Lienau Karla, Triana C. A., Siol Sebastian, Patzke Greta R. (2019), Preparative History vs Driving Force in Water Oxidation Catalysis: Parameter Space Studies of Cobalt Spinels, in ACS Omega, 4(13), 15444-15456.
Comparative Study of the Different Anchoring of Organometallic Dyes on Ultrathin Alumina
Zabka Wolf-Dietrich, Musso Tiziana, Mosberger Mathias, Novotny Zbynek, Totani Roberta, Iannuzzi Marcella, Probst Benjamin, Alberto Roger, Osterwalder Jürg (2019), Comparative Study of the Different Anchoring of Organometallic Dyes on Ultrathin Alumina, in The Journal of Physical Chemistry C, 123(36), 22250-22260.
Influence of Hetero-Biaryl Ligands on the Photo-Electrochemical Properties of [Re I NCS(N ∩ N)(CO) 3 ]-Type Photosensitizers Influence of Hetero-Biaryl Ligands on the Photo-Electrochemical Properties of [Re I NCS(N ∩ N)(CO) 3 ]-Type Photosensitizers
Mosberger Mathias, Probst Benjamin, Spingler Bernhard, Alberto Roger (2019), Influence of Hetero-Biaryl Ligands on the Photo-Electrochemical Properties of [Re I NCS(N ∩ N)(CO) 3 ]-Type Photosensitizers Influence of Hetero-Biaryl Ligands on the Photo-Electrochemical Properties of [Re I NCS(N ∩ N)(CO) 3 ]-Type Photosensitizers, in European Journal of Inorganic Chemistry, 2019(30), 3518-3525.
Dynamic Role of Cluster Cocatalysts on Molecular Photoanodes for Water Oxidation
Li Jingguo, Wan Wenchao, Triana C. A., Novotny Zbynek, Osterwalder Jürg, Erni Rolf, Patzke Greta R. (2019), Dynamic Role of Cluster Cocatalysts on Molecular Photoanodes for Water Oxidation, in Journal of the American Chemical Society, 141(32), 12839-12848.
Geminate Recombination versus Cage Escape in the Reductive Quenching of a Re(I) Carbonyl Complex on Mesoporous ZrO 2
Oppelt Kerstin, Fernández-Terán Ricardo, Pfister Rolf, Hamm Peter (2019), Geminate Recombination versus Cage Escape in the Reductive Quenching of a Re(I) Carbonyl Complex on Mesoporous ZrO 2, in The Journal of Physical Chemistry C, 123(32), 19952-19961.
Transition metal electrocatalysts encapsulated into N-doped carbon nanotubes on reduced graphene oxide nanosheets: efficient water splitting through synergistic effects
Wan Wenchao, Wei Shiqian, Li Jingguo, Triana Carlos A., Zhou Ying, Patzke Greta R. (2019), Transition metal electrocatalysts encapsulated into N-doped carbon nanotubes on reduced graphene oxide nanosheets: efficient water splitting through synergistic effects, in Journal of Materials Chemistry A, 7(25), 15145-15155.
Stable and tunable phosphonic acid dipole layer for band edge engineering of photoelectrochemical and photovoltaic heterojunction devices
Wick-Joliat René, Musso Tiziana, Prabhakar Rajiv Ramanujam, Löckinger Johannes, Siol Sebastian, Cui Wei, Sévery Laurent, Moehl Thomas, Suh Jihye, Hutter Jürg, Iannuzzi Marcella, Tilley S. David (2019), Stable and tunable phosphonic acid dipole layer for band edge engineering of photoelectrochemical and photovoltaic heterojunction devices, in Energy & Environmental Science, 12(6), 1901-1909.
Mechanistically Driven Control over Cubane Oxo Cluster Catalysts
Song Fangyuan, Al-Ameed Karrar, Schilling Mauro, Fox Thomas, Luber Sandra, Patzke Greta R. (2019), Mechanistically Driven Control over Cubane Oxo Cluster Catalysts, in Journal of the American Chemical Society, 141(22), 8846-8857.
Water Oxidation Catalysts: The Quest for New Oxide-Based Materials
Mavrokefalos Christos, Patzke Greta (2019), Water Oxidation Catalysts: The Quest for New Oxide-Based Materials, in Inorganics, 7(3), 29-29.
Efficient photocatalytic hydrogen evolution with ligand engineered all-inorganic InP and InP/ZnS colloidal quantum dots
Yu Shan, Fan Xiang-Bing, Wang Xian, Li Jingguo, Zhang Qian, Xia Andong, Wei Shiqian, Wu Li-Zhu, Zhou Ying, Patzke Greta R. (2018), Efficient photocatalytic hydrogen evolution with ligand engineered all-inorganic InP and InP/ZnS colloidal quantum dots, in Nature Communications, 9(1), 4009-4009.
Characterization of the Platinum–Hydrogen Bond by Surface-Sensitive Time-Resolved Infrared Spectroscopy
Paleček David, Tek Gökçen, Lan Jinggang, Iannuzzi Marcella, Hamm Peter (2018), Characterization of the Platinum–Hydrogen Bond by Surface-Sensitive Time-Resolved Infrared Spectroscopy, in The Journal of Physical Chemistry Letters, 9(6), 1254-1259.
Solvent-Controlled Morphology of Catalytic Monolayers at Solid–Liquid Interfaces
Kraack Jan Philip, Hamm Peter (2018), Solvent-Controlled Morphology of Catalytic Monolayers at Solid–Liquid Interfaces, in The Journal of Physical Chemistry C, 122(4), 2259-2267.
Plasmonic Substrates Do Not Promote Vibrational Energy Transfer at Solid–Liquid Interfaces
Kraack Jan Philip, Sévery Laurent, Tilley S. David, Hamm Peter (2017), Plasmonic Substrates Do Not Promote Vibrational Energy Transfer at Solid–Liquid Interfaces, in The Journal of Physical Chemistry Letters, 9(1), 49-56.
Ruthenium Water Oxidation Catalysts based on Pentapyridyl Ligands
Gil-Sepulcre Marcos, Böhler Michael, Schilling Mauro, Bozoglian Fernando, Bachmann Cyril, Scherrer Dominik, Fox Thomas, Spingler Bernhard, Gimbert-Suriñach Carolina, Alberto Roger, Bofill Roger, Sala Xavier, Luber Sandra, Richmond Craig J., Llobet Antoni (2017), Ruthenium Water Oxidation Catalysts based on Pentapyridyl Ligands, in ChemSusChem, 10(22), 4517-4525.
Structure-Activity and Stability Relationships for Cobalt Polypyridyl-Based Hydrogen-Evolving Catalysts in Water
Schnidrig Stephan, Bachmann Cyril, Müller Peter, Weder Nicola, Spingler Bernhard, Joliat-Wick Evelyne, Mosberger Mathias, Windisch Johannes, Alberto Roger, Probst Benjamin (2017), Structure-Activity and Stability Relationships for Cobalt Polypyridyl-Based Hydrogen-Evolving Catalysts in Water, in ChemSusChem, 10(22), 4570-4580.
Bi2O2CO3 Growth at Room Temperature: In Situ X-ray Diffraction Monitoring and Thermal Behavior
Moré René, Olah Michael, Balaghi S. Esmael, Jäker Philipp, Siol Sebastian, Zhou Ying, Patzke Greta R. (2017), Bi2O2CO3 Growth at Room Temperature: In Situ X-ray Diffraction Monitoring and Thermal Behavior, in ACS Omega, 2(11), 8213-8221.
Atomically Resolved Band Bending Effects in a p-n Heterojunction of Cu 2 O and a Cobalt Macrocycle
Leuenberger Dominik, Zabka Wolf-D., Shah Oliver-F. R., Schnidrig Stephan, Probst Benjamin, Alberto Roger, Osterwalder Jürg (2017), Atomically Resolved Band Bending Effects in a p-n Heterojunction of Cu 2 O and a Cobalt Macrocycle, in Nano Letters, 17(11), 6620-6625.
{Co4O4 } and {CoxNi4-xO4 } Cubane Water Oxidation Catalysts as Surface Cut-Outs of Cobalt Oxides
Song Fangyuan, Moré René, Schilling Mauro, Smolentsev Grigory, Azzaroli Nicolo, Fox Thomas, Luber Sandra, Patzke Greta R. (2017), {Co4O4 } and {CoxNi4-xO4 } Cubane Water Oxidation Catalysts as Surface Cut-Outs of Cobalt Oxides, in Journal of the American Chemical Society, 139(40), 14198-14208.
DFT-based Theoretical Simulations for Photocatalytic Applications Using TiO2
Gurdal Yeliz, Iannuzzi Marcella (2017), DFT-based Theoretical Simulations for Photocatalytic Applications Using TiO2, in Janus Magdalena (ed.), InTech, Rijeka, 0.
Molecule-specific interactions of diatomic adsorbates at metal-liquid interfaces
Kraack Jan Philip, Kaech Andres, Hamm Peter (2017), Molecule-specific interactions of diatomic adsorbates at metal-liquid interfaces, in Structural Dynamics, 4(4), 044009-044009.
Time-Resolved Powder X-ray Diffraction of the Solvothermal Crystallization of Cobalt Gallate Spinel Photocatalyst Reveals Transient Layered Double Hydroxides
Cook Daniel S., Wu Yue, Lienau Karla, Moré René, Kashtiban Reza J., Magdysyuk Oxana V., Patzke Greta R., Walton Richard I. (2017), Time-Resolved Powder X-ray Diffraction of the Solvothermal Crystallization of Cobalt Gallate Spinel Photocatalyst Reveals Transient Layered Double Hydroxides, in Chemistry of Materials, 29(12), 5053-5057.
Ultrafast Vibrational Energy Transfer in Catalytic Monolayers at Solid–Liquid Interfaces
Kraack Jan Philip, Frei Angelo, Alberto Roger, Hamm Peter (2017), Ultrafast Vibrational Energy Transfer in Catalytic Monolayers at Solid–Liquid Interfaces, in The Journal of Physical Chemistry Letters, 8(11), 2489-2495.
Insight into (Co)Pyrphyrin Adsorption on Au(111): Effects of Herringbone Reconstruction and Dynamics of Metalation
Gurdal Yeliz, Hutter Jürg, Iannuzzi Marcella (2017), Insight into (Co)Pyrphyrin Adsorption on Au(111): Effects of Herringbone Reconstruction and Dynamics of Metalation, in The Journal of Physical Chemistry C, 121(21), 11416-11427.
Intramolecular Light-Driven Accumulation of Reduction Equivalents by Proton-Coupled Electron Transfer
Kuss-Petermann Martin, Orazietti Margherita, Neuburger Markus, Hamm Peter, Wenger Oliver S. (2017), Intramolecular Light-Driven Accumulation of Reduction Equivalents by Proton-Coupled Electron Transfer, in Journal of the American Chemical Society, 139(14), 5225-5232.
Frontiers of water oxidation: the quest for true catalysts
Li J., Güttinger R., Moré R., Song F., Wan W., Patzke G. R. (2017), Frontiers of water oxidation: the quest for true catalysts, in Chemical Society Reviews, 46(20), 6124-6147.
The impact of metalation on adsorption geometry, electronic level alignment and UV-stability of organic macrocycles on TiO 2 (110)
Graf Manuel, Mette Gerson, Leuenberger Dominik, Gurdal Yeliz, Iannuzzi Marcella, Zabka Wolf-Dietrich, Schnidrig Stephan, Probst Benjamin, Hutter Jürg, Alberto Roger, Osterwalder Jürg (2017), The impact of metalation on adsorption geometry, electronic level alignment and UV-stability of organic macrocycles on TiO 2 (110), in Nanoscale, 9(25), 8756-8763.
Thermodynamics of paired charge-compensating doped ceria with superior redox performance for solar thermochemical splitting of H 2 O and CO 2
Hoes Marie, Muhich Christopher L., Jacot Roger, Patzke Greta R., Steinfeld Aldo (2017), Thermodynamics of paired charge-compensating doped ceria with superior redox performance for solar thermochemical splitting of H 2 O and CO 2, in Journal of Materials Chemistry A, 5(36), 19476-19484.
Trends in the phase stability and thermochemical oxygen exchange of ceria doped with potentially tetravalent metals
Jacot Roger, Moré René, Michalsky Ronald, Steinfeld Aldo, Patzke Greta R. (2017), Trends in the phase stability and thermochemical oxygen exchange of ceria doped with potentially tetravalent metals, in J. Mater. Chem. A, 5(37), 19901-19913.
Synthesis and Characterization of 0D–3D Copper-Containing Tungstobismuthates Obtained from the Lacunary Precursor Na 9 [B-α-BiW 9 O 33 ]
von Allmen Kim D., Grundmann Henrik, Linden Anthony, Patzke Greta R. (2016), Synthesis and Characterization of 0D–3D Copper-Containing Tungstobismuthates Obtained from the Lacunary Precursor Na 9 [B-α-BiW 9 O 33 ], in Inorganic Chemistry, 56(1), 327-335.
Surface Enhancement in Ultrafast 2D ATR IR Spectroscopy at the Metal-Liquid Interface
Kraack Jan Philip, Kaech Andres, Hamm Peter (2016), Surface Enhancement in Ultrafast 2D ATR IR Spectroscopy at the Metal-Liquid Interface, in The Journal of Physical Chemistry C, 120(6), 3350-3359.
Computational Investigation and Design of Cobalt Aqua Complexes for Homogeneous Water Oxidation
Schilling Mauro, Patzke Greta R., Hutter Jürg, Luber Sandra (2016), Computational Investigation and Design of Cobalt Aqua Complexes for Homogeneous Water Oxidation, in The Journal of Physical Chemistry C, 120(15), 7966-7975.
From porphyrins to pyrphyrins: adsorption study and metalation of a molecular catalyst on Au(111)
Mette Gerson, Sutter Denys, Gurdal Yeliz, Schnidrig Stephan, Probst Benjamin, Iannuzzi Marcella, Hutter Jürg, Alberto Roger, Osterwalder Jürg (2016), From porphyrins to pyrphyrins: adsorption study and metalation of a molecular catalyst on Au(111), in Nanoscale, 8(15), 7958-7968.
General Scheme for Oxidative Quenching of a Copper Bis-Phenanthroline Photosensitizer for Light-Driven Hydrogen Production
Windisch Johannes, Orazietti Margherita, Hamm Peter, Alberto Roger, Probst Benjamin (2016), General Scheme for Oxidative Quenching of a Copper Bis-Phenanthroline Photosensitizer for Light-Driven Hydrogen Production, in ChemSusChem, 9(13), 1719-1726.
Light-Driven Electron Accumulation in a Molecular Pentad
Orazietti Margherita, Kuss-Petermann Martin, Hamm Peter, Wenger Oliver S. (2016), Light-Driven Electron Accumulation in a Molecular Pentad, in Angewandte Chemie International Edition, 55(32), 9407-9410.
Promoting Photochemical Water Oxidation with Metallic Band Structures
Liu Hongfei, Moré René, Grundmann Henrik, Cui Chunhua, Erni Rolf, Patzke Greta R. (2016), Promoting Photochemical Water Oxidation with Metallic Band Structures, in Journal of the American Chemical Society, 138(5), 1527-1535.
Quinones as Reversible Electron Relays in Artificial Photosynthesis
Rodenberg Alexander, Orazietti Margherita, Mosberger Mathias, Bachmann Cyril, Probst Benjamin, Alberto Roger, Hamm Peter (2016), Quinones as Reversible Electron Relays in Artificial Photosynthesis, in ChemPhysChem, 17(9), 1321-1328.
Redox-Inert Cations Enhancing Water Oxidation Activity: The Crucial Role of Flexibility
Hodel Florian H., Luber Sandra (2016), Redox-Inert Cations Enhancing Water Oxidation Activity: The Crucial Role of Flexibility, in ACS Catalysis, 6(10), 6750-6761.
Ruthenium water oxidation catalysts containing the non-planar tetradentate ligand, biisoquinoline dicarboxylic acid (biqaH 2 )
Scherrer Dominik, Schilling Mauro, Luber Sandra, Fox Thomas, Spingler Bernhard, Alberto Roger, Richmond Craig J. (2016), Ruthenium water oxidation catalysts containing the non-planar tetradentate ligand, biisoquinoline dicarboxylic acid (biqaH 2 ), in Dalton Transactions, 45(48), 19361-19367.
Surface-Sensitive and Surface-Specific Ultrafast Two-Dimensional Vibrational Spectroscopy
Kraack Jan Philip, Hamm Peter (2016), Surface-Sensitive and Surface-Specific Ultrafast Two-Dimensional Vibrational Spectroscopy, in Chemical Reviews, Online.
Surface-Sensitive Spectro-electrochemistry Using Ultrafast 2D ATR IR Spectroscopy
Lotti Davide, Hamm Peter, Kraack Jan Philip (2016), Surface-Sensitive Spectro-electrochemistry Using Ultrafast 2D ATR IR Spectroscopy, in The Journal of Physical Chemistry C, 120(5), 2883-2892.
Vibrational ladder-climbing in surface-enhanced, ultrafast infrared spectroscopy
Kraack Jan Philip, Hamm Peter (2016), Vibrational ladder-climbing in surface-enhanced, ultrafast infrared spectroscopy, in Phys. Chem. Chem. Phys., 18(24), 16088-16093.
What Influences the Water Oxidation Activity of a Bioinspired Molecular Co II4 O 4 Cubane? An In-Depth Exploration of Catalytic Pathways
Hodel Florian H., Luber Sandra (2016), What Influences the Water Oxidation Activity of a Bioinspired Molecular Co II4 O 4 Cubane? An In-Depth Exploration of Catalytic Pathways, in ACS Catalysis, 6(3), 1505-1517.

Collaboration

Group / person Country
Types of collaboration
URPP LightChEC Switzerland (Europe)
- in-depth/constructive exchanges on approaches, methods or results
- Research Infrastructure
- Exchange of personnel

Scientific events

Active participation

Title Type of contribution Title of article or contribution Date Place Persons involved
Operando Surface Science Talk given at a conference Ionization of Water as an Effect of Quantum Delocalization at Aqueous Electrode Interfaces 09.12.2019 Bad Honnef, Germany Lan Jinggang;
Operando Surface Science, 708. WE-Heraeus-Seminar Talk given at a conference Interfaces by ab initio molecular dynamics 09.12.2019 Bad Honnef, Germany Lan Jinggang;
3rd ICTC on Translational Chemistry Talk given at a conference Bio-Inspired Water Oxidation Catalysts: Formation Pathways and Design Perspectives 02.12.2019 Caparica, Portugal Patzke Greta Ricarda;
LigthChEC Symposium 2019 Talk given at a conference Transition metal hydrides: unexplored aspects of organometallic complexes relevant for catalysis 29.11.2019 Zürich, Switzerland Fernández-Terán Ricardo;
ISF-3 Young and ISF-3 ICARP Talk given at a conference Combining Molecular Efficiency with Surface Stability for Photolytic Water Reduction 19.11.2019 Hiroschima, Japan Weder Nicola;
2nd Symposium on Reaction Mechanisms (RecMec-2) Talk given at a conference A Molecular Reduction Catalyst in a Heterogeneous System: Combining Molecular Efficiency with Surface-Stability 28.10.2019 Bloomfontein, South Africa Weder Nicola;
WaterEurope: Multiscale simulations and coarse-grained models for water and aqueous systems Poster Ionization of Water as an Effect of Quantum Delocalization at Aqueous Electrode Interfaces 21.10.2019 Lausanne, Switzerland Lan Jinggang;
2nd Symposium on Reaction Mechanisms (RecMec-2) Talk given at a conference Organometallic Technetium and Rhenium Chemistry in Molecular Imaging and Photocatalysis 18.10.2019 Bloomfontein, South Africa Alberto Roger;
Transregio (SFB/TRR) 234 “CataLight”: Summer School Talk given at a conference Concepts for Clean Energy Materials: From Bio-Inspiration to Solar Power 17.09.2019 Masserberg, Germany Patzke Greta Ricarda;
Molecular and materials simulation at the turn of the decade: Celebrating 50 years of CECAM Talk given at a conference Molecules at the Electrochemical Interface: Understanding Experiments with Simulations 09.09.2019 Lausanne, Switzerland Lan Jinggang;
SCS Fall Meeting 2019 Talk given at a conference Re(I) K2N-tricarbonyl and K3N-dicarbonyl complexes with terpyridine ligands: unusual substituent effects and photocatalytic properties 06.09.2019 Zürich, Switzerland Fernández-Terán Ricardo;
Symposium on Catalysis Talk given at a conference Liquid solid interfaces by ab initio molecular dynamics 27.08.2019 Delft, Netherlands Lan Jinggang;
Joint Annual Meeting of SPG and ÖPG Talk given at a conference Economic Materials Design for Clean Energy: Artificial Photosynthesis 26.08.2019 Zürich, Switzerland Patzke Greta Ricarda;
CPMD Meeting 2019 - Pushing the Boundaries of Molecular Dynamics Talk given at a conference Molecules at the Electrochemical interface: Understanding Experiments with Simulations 22.07.2019 Lausanne, Switzerland Lan Jinggang;
F2Cp2 2019 Joint Conference Talk given at a conference Solar Thermochemical vs. Electrocatalytic Energy Conversion: Key Materials Parameters 14.07.2019 Lausanne, Switzerland Patzke Greta Ricarda;
23rd International Symposium on the Photochemistry and Photophysics of Coordination Compounds (ISPPCC) Talk given at a conference Re(I) K2N-tricarbonyl and K3N-dicarbonyl complexes with terpyridine ligands: unusual substituent effects and photocatalytic properties 14.07.2019 Hong Kong, China Fernández-Terán Ricardo;
Summer School, Advanced Electronic Structure Methods in Condensed Matter Physics Talk given at a conference Self-ionization of water at aqueous Pt interface 08.07.2019 Lausanne, Switzerland Lan Jinggang;
CP2K users and developers symposium Talk given at a conference Molecules at the solid/liquid interface: understanding experiments with simulations 14.06.2019 London, Great Britain and Northern Ireland Lan Jinggang;
Mainz Materials Simulation Days Talk given at a conference Self-ionization of water at aqueous Pt interface 05.06.2019 Mainz, Germany Lan Jinggang;
Theoretical Chemistry and Compu- tational Modeling: 20 years promoting Excellence in Science Poster Water-Metal Interfaces from Ab-initio Molecular Dynamics 30.05.2019 Donostia, Spain Lan Jinggang;
235th ECS Meeting Talk given at a conference Monitoring and Preparation-Performance Trends of Co-based Electrocatalysts for Electrochemical Water Oxidation 26.05.2019 Dallas, United States of America Patzke Greta Ricarda;
Seminar an der Humboldt Universität Berlin Individual talk Homo- and heterogeneous light-induced proton reduction with cyclic and acyclic ploy-pyridyl complexs 22.05.2019 Berlin, Germany Alberto Roger;
MPI for Chemical Energy Conversion, Symposium on Applied Chemistry Talk given at a conference Bio-Inspiration, Nanoscience & Solar Power: New Roads to Artificial Photosynthesis 02.05.2019 Berlin, Germany Patzke Greta Ricarda;
Institute of Neuropathology, University Hospital Zurich Individual talk Materials Design for Current Challenges: From Artificial Photosynthesis to Bioactive Oxoclusters 19.03.2019 Zürich, Switzerland Patzke Greta Ricarda;
Spring Meeting of Swiss Association of Computational Chemists Poster Insights into the interface CO/Pt(111) with water from First-Principles Simulations 14.02.2019 Geneva, Switzerland Lan Jinggang;
The Fifth Competence Center for Computational Chemistry meeting Poster Insights into the interface CO/Pt(111) with water from First-Principles Simulations 17.01.2019 Zurich, Switzerland Lan Jinggang;
Young researcher's Workshop on Zeolite material Talk given at a conference Towards rational design material by using density functional theory 16.12.2018 Guangzhou, China Lan Jinggang;
SATW: Journées de Reflexion Individual talk Artificial Photosynthesis: Minds – Matter- Markets 31.10.2018 Yverdon, Switzerland Patzke Greta Ricarda;
The Zurich Physics Colloquium Talk given at a conference Light-Driven Water Splitting: Between Bio-Inspiration and Solar Power 26.09.2018 Zürich, Switzerland Patzke Greta Ricarda;
Powder Diffraction School PSI Poster Etched Nickel Foam as Highly Efficient Catalyst for Overall Water Splitting 24.09.2018 Villigen, Switzerland Balaghi Sayedesmael;
SCS Fall Meeting 2018 Poster Dynamic Role of Cocatalyst on Hematite Photoanode 07.09.2018 Lausanne, Switzerland Li Jingguo;
SCS Fall Meeting 2018 Poster Etched Nickel Foam as Highly Efficient Catalyst for Overall Water Splitting 07.09.2018 Lausanne, Switzerland Balaghi Sayedesmael;
LightChEC Symposium and Summer School Poster Etched Nickel Foam as Highly Efficient Catalyst for Overall Water Splitting 20.08.2018 Les Diablerets, Switzerland Balaghi Sayedesmael;
LightChEC Symposium and Summer School Poster Insights into the interface CO/Pt(111) with water from First-Principles Simulations 20.08.2018 Les Diablerets, Switzerland Lan Jinggang;
LightChEC Symposium and Summer School Poster Dynamic Role of Cocatalyst on Hematite Photoanode 20.08.2018 Les Diablerets, Switzerland Li Jingguo;
LightChEC Symposium and Summer School Poster Presenting a New Cobalt-Polypyridyl Catalyst for H2O-Reduction in a Heterogeneous System 20.08.2018 Les Diablerets, Switzerland Weder Nicola;
LightChEC Symposium and Summer School Talk given at a conference Molecules at Surfaces: DFT calculations of Structure and Reactivity 20.08.2018 Les Diablerets, Switzerland Hutter Jürg;
256th ACS National Meeting Talk given at a conference Water Oxidation With Cobalt Compounds: A Quest for Essentials 19.08.2018 Boston, United States of America Patzke Greta Ricarda;
Seminar at the Universidad de la Republica Uruguay Individual talk Artifical Photosynthesis or Making H2 with Cobalt Complexes 10.08.2018 Montevideo, Uruguay Alberto Roger;
ICCC 2018 Talk given at a conference Water Oxidation With Cobalt Compounds: From bio-inspired clusters.to solid state origins 30.07.2018 Sendai, Japan Patzke Greta Ricarda;
1st European Conference for Photosynthesis Research Talk given at a conference Water Oxidation With Cubanes: From bio-inspired clusters.to solar thermochemical routes 05.06.2018 Uppsala, Sweden Patzke Greta Ricarda;
Rotary Club Individual talk Chemical Energy from Solar Light 04.06.2018 Thalwil, Switzerland Patzke Greta Ricarda;
General Assembly: UZH Alumni Individual talk Converting Solar Light into Chemical Energy: Cobalt Catalysts 30.05.2018 Zürich, Switzerland Patzke Greta Ricarda;
Georg August University Göttingen: SFB 173 Atomic scale control of energy conversio Individual talk Converting Solar Light Into Chemical Energy: Transition Metal Oxides & Oxoclusters 25.05.2018 Göttingen, Germany Patzke Greta Ricarda;
PISACMS summer school Poster First-Principles Simulations of an Aqueous CO/Pt (111) Interface 25.04.2018 Paris, France Lan Jinggang;
PASC18 Talk given at a conference Implementing a Sparse Tensor Linear Algebra Library for Electronic Structure Calculations 02.04.2018 Basel, Switzerland Hutter Jürg;
3rd Molecules and Materials for Artificial Photosynthesis Conference Talk given at a conference Cobalt-based cubane water oxidation catalysts with edge-site motifs: Bridging the gap between molecular and heterogeneous catalysis 02.03.2018 Cancun, Mexico Patzke Greta Ricarda;
17th DESY Research Course - Trends in Water Research Talk given at a conference 2D-Raman-THz spectroscopy of water and aqueous salt solutions 26.02.2018 Hamburg, Germany Hamm Peter;
Seminar Ludwigs-Maximilian-Universität München Individual talk The Challenge of Water Oxidation: From Plants to Solids 08.02.2018 München, Germany Patzke Greta Ricarda;
SAOG 2018-The Science of Surfaces, Interfaces and Nanostructure Poster Molybdenum Doped Manganese Oxide as an Efficient Water Oxidizing Catalyst 01.02.2018 Fribourg, Switzerland Balaghi Sayedesmael;
SAOG 2018-The Science of Surfaces, Interfaces and Nanostructure Poster Understanding the role of molecular cocatalysts on hematite photoanode 01.02.2018 Fribourg, Switzerland Li Jingguo;
8th Annual Meeting of the NCCR MUST Talk given at a conference 2D-IR Spectroscopy at its Best: Structure and Dynamics of Molecules Immobilized at Solid/Liquid Surfaces 22.01.2018 Grindelwald, Switzerland Hamm Peter;
8th Annual Meeting of the NCCR MUST Poster Faster than diffusion? - The intricate quenching dynamics of [Re(CO)3X(diimine)] complexes on MOx surfaces 22.01.2018 Grindelwald, Switzerland Fernández-Terán Ricardo;
The electrode potential in electrochemisty - A challenge for electronic structure theory calculations Talk given at a conference Insights into the interface CO/Pt(111) with water from First-Principles Simulations 21.12.2017 Castle Reisensburg, Germany Hutter Jürg; Lan Jinggang;
Winter School in Theoretical Chemistry 2017 Poster Investigation of the Adsorption of Phosphonic Acid on the Rutile TiO2(110) Surface for Water Splitting Applications 18.12.2017 Helsinki, Finland Hutter Jürg;
ICUSD2017 Talk given at a conference 2D-IR Spectroscopy at its Best: Structure and Dynamics of Catalytic Molecules at Solid/Liquid Surfaces 05.12.2017 Trieste, Italy Hamm Peter;
Lightchec Symposium Poster Insights into the interface CO/Pt(111) with water from First-Principles Simulations 10.11.2017 Zurich, Switzerland Hutter Jürg; Lan Jinggang;
LightChEC Symposium 2018 Poster Characterization of Platinum-Hydrogen Bond by Surface-Sensitive Time-Resolved Infrared Spectroscopy 10.11.2017 Zürich, Switzerland Tek Gökçen;
LightChEC Symposium 2017 Poster Faster than diffusion? - The intricate quenching dynamics of [ReI(CO)3X(diimine)] complexes on MOx surfaces 10.11.2017 Zürich, Switzerland Fernández-Terán Ricardo;
LightChEC Symposium Poster Investigation of the Adsorption of Phosphonic Acid on the Rutile TiO2(110) Surface for Water Splitting Applications 10.11.2017 Zurich, Switzerland Hutter Jürg;
Kolloquium Max Planck Institut Mainz Individual talk Multidimensional Spectroscopy of Surfaces and Liquids 26.09.2017 Mainz, Germany Hamm Peter;
STC Big Data in Chemistry conference Poster Investigation of the Adsorption of Phosphonic Acid on the Rutile TiO2(110) Surface for Water Splitting Applications 21.08.2017 Basel, Switzerland Hutter Jürg;
SCS Fall Meeting 2017 Poster Characterization of Platinum-Hydrogen Bond by Surface-Sensitive Time-Resolved Infrared Spectroscopy 21.08.2017 Bern, Switzerland Tek Gökçen;
Femto13 Talk given at a conference Couplings of Molecules Immobilized at Surfaces by 2D-ATR-IR Spectroscopy 12.08.2017 Cancun, Mexico Hamm Peter;
28th International Conference on Photochemistry (ICP 2017) Poster Towards the Synthesis of Cobalt Based Polypyridine Water Reduction Catalysts 16.07.2017 Strasbourg, France Müller Peter;
28th International Conference on Photochemistry (ICP 2017) Poster The unexpected Influence of Ligand Moieties on the Catalytic Activity of Cobalt-Polypyridyl Water Reduction Catalysts 16.07.2017 Strasbourg, France Weder Nicola;
TRVS 2017 Poster Characterization of Platinum-Hydrogen Bond by Surface-Sensitive Time-Resolved Infrared Spectroscopy 16.07.2017 Cambridge, Great Britain and Northern Ireland Tek Gökçen;
Coimbra Training School Talk given at a conference Ultrafast vibrational spectroscopy of biomolecules 07.07.2017 Coimbra, Portugal Hamm Peter;
Roma Tre Congress on Water Under Extreme Conditions Talk given at a conference Markov State Model of the Two-State Behaviour of Water 14.06.2017 Rom, Italy Hamm Peter;
Kolloquium University of Paris Saclay and CEA Individual talk Acyclic and Cyclic Polypyridyl-based Cobald Complexes in Photocatalysis 09.05.2017 Paris, France Alberto Roger;
ACS National Meeting Talk given at a conference 2D-Raman-THz spectroscopy of water and aqueous salt solutions 02.04.2017 San Francisco, United States of America Hamm Peter;
Anorganische-Chemisches Kolloquium, Universität Basel Individual talk Acyclic and Cyclic Polypyridyl-based Cobald Complexes in Photocatalysis 31.03.2017 Basel, Switzerland Alberto Roger;
MARVEL School on Variationally Enhanced Sampling, Poster Ab-Initio Modeling of H2 Generation Using Co-Based Catalysts: The Effects of Ligand Type 14.02.2017 Lugano, Switzerland Hutter Jürg;
Kolloquium University Frankfurt Individual talk Structure and Dynamics of Catalytic Monolayers at Solid-Liquid Interfaces: Towards Artificial Photosynthesis 29.01.2017 Frankfurt, Germany Hamm Peter;
15th Swiss Snow Syposium Poster Adsorption of (Co)Pyrphyrin on Au(111): The Effects of Herringbone Reconstruction and Dynamics of Metalation 27.01.2017 Saas Fee, Switzerland Hutter Jürg;
C4 Workshop Talk given at a conference Molecular Co-Based Catalysts for Generating H2 : The Effects of Ligand Type 25.01.2017 Rueschlikon, Switzerland Hutter Jürg;
Kolloquium University Freiburg Individual talk 2D-IR Spectroscopy at its Best: Structure and Dynamics of Catalytic Molecules at Solid/Liquid Surfaces 16.01.2017 Freiburg, Germany Hamm Peter;
St. Gallische Naturwissenschaftliche Gesellschaft Individual talk Künstliche Photosynthese: Chemische (Zukunfts-)Visionen für Grüne Energie? 23.11.2016 St. Gallen, Switzerland Patzke Greta Ricarda;
Theoretical Physics Seminar, University of Konstanz Individual talk Structural and Dynamical Properties of Water from Density Functional and Wavefunction Methods 21.11.2016 Konstanz, Germany Hutter Jürg;
EPFL Valais Individual talk Towards Artificial Photosynthesis: Molecular and Materials Design for Water Oxidation 17.11.2016 Sion, Switzerland Patzke Greta Ricarda;
CulturChem Talk given at a conference Water Oxidation Catalysts for Artificial Photosynthesis: Bio-inspired vs. Solid State Design Pathways 24.10.2016 Paris, France Patzke Greta Ricarda;
11th Annual Dorothy Crowfoot Hodgkin Symposium Poster Surface Modification of Hematite Photoanode for Enhanced Water Oxidation 03.10.2016 Zürich, Switzerland Li Jingguo;
Swedish Consortium for Artificial Photosynthesis, Uppsala University Individual talk Strategies for Water Oxidation Catalyst Development: Bio-inspired Clusters vs. Solids 28.09.2016 Uppsala, Sweden Patzke Greta Ricarda;
CECAM Workshop: Interface processes in photochemical water splitting: Theory meets experiment Poster Computational Investigation and Design of Cobalt Aqua-Complexes for Homogeneous Water Oxidation 27.09.2016 Lausanne, Switzerland Schilling Mauro;
SCS Fall Meeting 2016 Poster Computational Investigation and Design of Cobalt Aqua-Complexes for Homogeneous Water Oxidation 15.09.2016 Zürich, Switzerland Schilling Mauro;
SCS Fall Meeting 2016 Poster Synthesis of Doped Manganese Oxides for Water Oxidation 15.09.2016 Zürich, Switzerland Balaghi Sayedesmael;
SCS Fall Meeting 2016 Poster Anchoring Molecular Water Oxidation Catalysts for Mechanistic Understanding and Photoelectrochemical Device Fabrication 15.09.2016 Zürich, Switzerland Li Jingguo;
Swiss Symposium and Summer School 2016: Solar Light to Chemical Energy Conversion Poster Towards the Synthesis of New Surface Attached Cobalt Polypyridine Water-Reduction Catalysts 29.08.2016 Les Diablerets, Switzerland Weder Nicola; Müller Peter;
Swiss Symposium and Summer School 2016: Solar Light to Chemical Energy Conversion Poster Anchoring Molecular Water Oxidation Catalysts for Mechanistic Understanding and Photoelectrochemical Device Fabrication 29.08.2016 Les Diablerets, Switzerland Li Jingguo;
Swiss Symposium and Summer School 2016: Solar Light to Chemical Energy Conversion Poster Computational Investigation and Design of Cobalt Aqua-Complexes for Homogeneous Water Oxidation 29.08.2016 Les Diablerets, Switzerland Schilling Mauro;
FMOCS IV@PoCheMoN Talk given at a conference Water Oxidation Catalysis with Oxoclusters: From POMs to Cubanes 10.07.2016 Newcastle , Great Britain and Northern Ireland Patzke Greta Ricarda;
2016 EMN Summer Meeting Talk given at a conference Polyoxometalates as multifunctional building blocks for nanomedicine applications 05.06.2016 Cancun, Mexico Patzke Greta Ricarda;
Leibniz Institute for Catalysis Individual talk Transition Metal Oxides and Oxoclusters: Energy & Environmental Applications 18.05.2016 Rostock, Germany Patzke Greta Ricarda;
79th Harden Conference: Oxygen Evolution and Reduction ? Common Principles Poster Computational Investigation and Design of Cobalt Aqua-Complexes for Homogeneous Water Oxidation 16.04.2016 Innsbruck, Austria Schilling Mauro;
251st ACS Spring Meeting Talk given at a conference Cobalt cubane water oxidation catalysts: On the way to photosystem II 13.03.2016 San Diego, United States of America Patzke Greta Ricarda;
251st ACS Spring Meeting, San Diego Talk given at a conference Lithium cobalt oxides as water oxidation catalysts: Correlating structure, electronic properties, and activity 13.03.2016 San Diego, United States of America Patzke Greta Ricarda;
2016 Gordon Research Conference on Renewable Energy: Solar Fuels, Il Talk given at a conference Cobalt-Based Water Oxidation Catalysts: Crossroads Between Molecules and Solids 28.02.2016 Ciocco, Italy Patzke Greta Ricarda;
2nd Molecules and Materials for Artificial Photosynthesis Talk given at a conference Cobalt-based water oxidation catalysts: Bio-inspired cubanes vs. solid state design 25.02.2016 Cancun, Mexico Patzke Greta Ricarda;


Communication with the public

Communication Title Media Place Year
Media relations: print media, online media Ein Lichtblick fürs Klima SI Grün German-speaking Switzerland 2016
Media relations: print media, online media Frau mit Lichtenergie STROM German-speaking Switzerland 2016
Media relations: radio, television Interview in der Sendung Aeschbacher SRF 1 German-speaking Switzerland 2016
Media relations: print media, online media Nächste Generation muss es besser machen SonntagsBlick German-speaking Switzerland 2016
Media relations: print media, online media Wenn die CHEMIE STIMMT Schweizer Familie German-speaking Switzerland 2016
Talks/events/exhibitions WOLD.MINDS - Splitting Water International 2016

Awards

Title Year
CMSZH Travel Award 2019
2018 Ellis R. Lippincott Award 2018
Distinguished Visitor Award Auckland, NZ 2018
Humboldt Research Award 2017

Associated projects

Number Title Start Funding scheme
140441 Atomistic simulations of molecules at interfaces 01.07.2012 Project funding (Div. I-III)
136205 Homogeneous photocatalytic water splitting 01.10.2011 Sinergia
170856 Solar Light-driven Homogeneous Catalysis for Greener Industrial Processes with H2 as Energy Source and CO2 as C1 Building Block 01.02.2017 Bilateral programmes

Abstract

Background: Over the past three years, we had focused within the previous Sinergia project (SNF grant No. CRSII2_136205/1) on homogeneous water splitting systems for artificial photosynthesis as a flexible and eco-friendly contribution to tomorrow's clean energy portfolio. The joint focus of the first phase was on the development and catalytic performance assessment of molecular systems, which were then subjected to spectroscopic studies in solution and further explored with computational approaches. Homogeneous systems were selected for our initial steps for two evident reasons: molecular systems are per se better defined, and their spectroscopic investigation is far more convenient than that of heterogeneous catalysts. However, homogeneous water-splitting systems combining both reductive and oxidative half reactions are in principle limited to low overall yields due to manifold possibilities of short-cuts and undesired side reactions. Consequently, they are certainly more of fundamental than of technological interest. We furthermore learned that most of their reaction steps are diffusion-controlled which severely limits optimization of the overall process through controlling the kinetics as a most directly accessible parameter in homogeneous solutions. Even Nature utilizes membranes, separating compartments and thereby various reaction steps for enhanced control options over water splitting compared to pure solution systems. Goals and joint strategy: The present Sinergia proposal takes the next logical step from explorative molecular synthesis to the construction and mechanistic analysis of solvated catalytic interfaces for small molecule reactions. Water oxidation and reduction are the main target processes to ensure optimal knowledge transfer from the previous phase. However, the research direction fully complements and expands our past work and present research activities in the University Research Priority Program "Light to Chemical Energy Conversion" (URPP LightChEC). Here, we will lay a new foundation for pioneering combinations of tailored molecular catalysts and functional surfaces into catalytically active interfaces. They will be designed for newly developed in situ spectroscopic monitoring going hand in hand with innovative mechanistic modeling approaches. Together we will take the major challenge of investigating the widely unknown mechanisms behind reductive and oxidative catalyst molecules which are immobilized on representative surfaces. This strategy will permit deeper insight into the kinetics of individual reaction steps with novel operando techniques. As the field of molecular photoelectrode construction is just about to be explored, our Sinergia project will turn into a creative interface between synthetic explorations and device construction.Synergistic assets: Our initiative will stand out in the competitive international field through several specific assets, namely (1) excellent and efficient local networking experiences, (2) hand-in-hand development of spectroscopic monitoring techniques and new reductive/oxidative catalytic interfaces, and (3) proven interaction between synthetic groups and forefront computational scientists. Few international teams provide a comparably close and pioneering level of direct in-house interaction.
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