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ARE YOU A POSTDOC? WE ARE HIRING!

Call open: 20 positions within the RESOMUS - EU COFUND Fellowship Programme

RESOLV presents business incubator

RESOLV presents business incubator

NEWS HIGHLIGHT: RESOLV's Speaker Martina Havenith presented Start4Chem to German Chancellor Angela Merkel during her visit in North Rhine-Westphalia .

RUHR EXPLORES SOLVATION SCIENCE

RUHR EXPLORES SOLVATION SCIENCE

We shape a new scientific discipline, inspire the scientists of tomorrow, and enable future technologies

WE ARE RESOLV

WE ARE RESOLV

Over 200 scientists from about 50 research groups in 6 institutions

ZEMOS: Home of Solvation Science @RUB

ZEMOS: Home of Solvation Science @RUB

The first research building for Solvation Science in the world. Hosts over 100 scientists, it's home to 6 disciplines.

WHAT is RESOLV?

The Cluster of Excellence RESOLV is an interdisciplinary research project of the Ruhr University Bochum and the TU Dortmund University, as well as four other institutions in the German Ruhr area. Since 2012, about 200 scientists cooperate to clarify how the solvent is involved in the control, mediation and regulation of chemical reactions. Our research is essential to advance technologies that could reuse CO2 for chemicals production, increase the efficiency of energy conversion and storage and develop smart sensors. RESOLV is funded by the German Federal Government and the state of North Rhine-Westphalia with 42 Mio. EUR over the period 2019-2025. 

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Water is gold – also in RUB’s Botanical Garden. © Elmar Weiler

Water molecules are gold for nanocatalysis

ACS Cat.: Some catalysts show remarkable high activity. Thanks to water.

Nanocatalysts made of gold nanoparticles dispersed on metal oxides are very promising for the industrial, selective oxidation of compounds, including alcohols, into valuable chemicals. They show high catalytic activity, particularly in aqueous solution. A team of researchers from RUB has been able to explain why: Water molecules play an active role in facilitating the oxygen dissociation needed for the oxidation reaction. The team of Professor Dominik Marx, Chair of Theoretical Chemistry, reports in the high-impact journal ACS Catalysis on 14 July 2020.

Mind the water molecules

In a 2018 study, the RUB group of Professor Dominik Marx, Chair of Theoretical Chemistry and Research Area coordinator in the Cluster of Excellence Ruhr Explores Solvation (RESOLV), already hinted that water molecules actively participate in the oxidative reaction: They enable a stepwise charge-transfer process that leads to oxygen dissociation in the aqueous phase. Now, the same team reveals that solvation facilitates the activation of molecular oxygen (O2) at the gold/metal oxide (Au/TiO2) nanocatalyst: In fact, water molecules help to decrease the energy barrier for the O2 dissociation. The researchers quantified that the solvent curbs the energy costs by 25% compared to the gas phase. “For the first time, it has been possible to gain insights into the quantitative impact of water on the critical O2 activation reaction for this nanocatalyst – and we also understood why,” says Dominik Marx.

The RUB researchers applied computer simulations, the so-called ab initio molecular dynamics simulations, which explicitly included not only the catalyst but also as many as 80 surrounding water molecules.


Additional information

Detailed Press Release

Original Publication: Niklas Siemer, Daniel Munoz-Santiburcio, Dominik Marx: Solvation-enhanced oxygen activation at gold/titania nanocatalysts, in: ACS Catalysis, 2020, DOI: 10.1021/acscatal.0c01326

 

--------------------------------------

Wasser ist Gold wert für die Nanokatalyse

ACS Cat.: Einige Katalysatoren zeigen eine erstaunlich hohe Aktivität – deutlich begünstigt durch Wasser.

Winzige Goldpartikel, die auf Metalloxide aufgebracht werden, könnten als Nanokatalysatoren für die chemische Industrie dienen – zum Beispiel für die Umwandlung von Alkoholen mittels Oxidation in wertvolle Chemikalien. Die Gold-Metalloxid-Verbindungen zeigen eine hohe katalytische Aktivität, vor allem, wenn sie in wässrigen Lösungen vorliegen. Ein Forschungsteam der RUB hat nun eine Erklärung dafür gefunden: Die Wassermoleküle helfen aktiv bei der Spaltung von Sauerstoff mit, welche für die Oxidationsreaktion erforderlich ist. Das Team um Prof. Dr. Dominik Marx vom Lehrstuhl für Theoretische Chemie berichtet die Ergebnisse in der Zeitschrift „ACS Catalysis“, online veröffentlicht am 14. Juli 2020.

Wasser reduziert Energiebarriere

Bereits 2018 hatte das Team von Dominik Marx, Forschungsbereichskoordinator im Exzellenzcluster Ruhr Explores Solvation (RESOLV), Hinweise darauf gefunden, dass Wassermoleküle aktiv an der Sauerstoffspaltung beteiligt sein könnten. Nun zeigte das Team, dass Lösungsprozesse den molekularen Sauerstoff an der Oberfläche des Nanokatalysators zusätzlich aktivieren. Die Wassermoleküle helfen somit, die Energiebarriere für die Sauerstoffspaltung zu reduzieren. Die Forscher berechneten, dass der Energiebedarf für die Reaktion in wässriger Lösung 25 Prozent geringer ist als in der Gasphase.

Die RUB-Forscher nutzten Computersimulationen, sogenannte Ab-initio-Molekulardynamik-Simulationen, in denen sie nicht nur den Katalysator berücksichtigten, sondern auch 80 umgebende Wassermoleküle.


zusätzliche information

Ausführliche Presseinformation

Originalveröffentlichung: Niklas Siemer, Daniel Munoz-Santiburcio, Dominik Marx: Solvation-enhanced oxygen activation at gold/titania nanocatalysts, in: ACS Catalysis, 2020, DOI: 10.1021/acscatal.0c01326

Posted on
Water is gold – also in RUB’s Botanical Garden. © Elmar Weiler

Water molecules are gold for nanocatalysis

ACS Cat.: Some catalysts show remarkable high activity. Thanks to water.

Nanocatalysts made of gold nanoparticles dispersed on metal oxides are very promising for the industrial, selective oxidation of compounds, including alcohols, into valuable chemicals. They show high catalytic activity, particularly in aqueous solution. A team of researchers from RUB has been able to explain why: Water molecules play an active role in facilitating the oxygen dissociation needed for the oxidation reaction. The team of Professor Dominik Marx, Chair of Theoretical Chemistry, reports in the high-impact journal ACS Catalysis on 14 July 2020.

Mind the water molecules

In a 2018 study, the RUB group of Professor Dominik Marx, Chair of Theoretical Chemistry and Research Area coordinator in the Cluster of Excellence Ruhr Explores Solvation (RESOLV), already hinted that water molecules actively participate in the oxidative reaction: They enable a stepwise charge-transfer process that leads to oxygen dissociation in the aqueous phase. Now, the same team reveals that solvation facilitates the activation of molecular oxygen (O2) at the gold/metal oxide (Au/TiO2) nanocatalyst: In fact, water molecules help to decrease the energy barrier for the O2 dissociation. The researchers quantified that the solvent curbs the energy costs by 25% compared to the gas phase. “For the first time, it has been possible to gain insights into the quantitative impact of water on the critical O2 activation reaction for this nanocatalyst – and we also understood why,” says Dominik Marx.

The RUB researchers applied computer simulations, the so-called ab initio molecular dynamics simulations, which explicitly included not only the catalyst but also as many as 80 surrounding water molecules.


Additional information

Detailed Press Release

Original Publication: Niklas Siemer, Daniel Munoz-Santiburcio, Dominik Marx: Solvation-enhanced oxygen activation at gold/titania nanocatalysts, in: ACS Catalysis, 2020, DOI: 10.1021/acscatal.0c01326

 

--------------------------------------

Wasser ist Gold wert für die Nanokatalyse

ACS Cat.: Einige Katalysatoren zeigen eine erstaunlich hohe Aktivität – deutlich begünstigt durch Wasser.

Winzige Goldpartikel, die auf Metalloxide aufgebracht werden, könnten als Nanokatalysatoren für die chemische Industrie dienen – zum Beispiel für die Umwandlung von Alkoholen mittels Oxidation in wertvolle Chemikalien. Die Gold-Metalloxid-Verbindungen zeigen eine hohe katalytische Aktivität, vor allem, wenn sie in wässrigen Lösungen vorliegen. Ein Forschungsteam der RUB hat nun eine Erklärung dafür gefunden: Die Wassermoleküle helfen aktiv bei der Spaltung von Sauerstoff mit, welche für die Oxidationsreaktion erforderlich ist. Das Team um Prof. Dr. Dominik Marx vom Lehrstuhl für Theoretische Chemie berichtet die Ergebnisse in der Zeitschrift „ACS Catalysis“, online veröffentlicht am 14. Juli 2020.

Wasser reduziert Energiebarriere

Bereits 2018 hatte das Team von Dominik Marx, Forschungsbereichskoordinator im Exzellenzcluster Ruhr Explores Solvation (RESOLV), Hinweise darauf gefunden, dass Wassermoleküle aktiv an der Sauerstoffspaltung beteiligt sein könnten. Nun zeigte das Team, dass Lösungsprozesse den molekularen Sauerstoff an der Oberfläche des Nanokatalysators zusätzlich aktivieren. Die Wassermoleküle helfen somit, die Energiebarriere für die Sauerstoffspaltung zu reduzieren. Die Forscher berechneten, dass der Energiebedarf für die Reaktion in wässriger Lösung 25 Prozent geringer ist als in der Gasphase.

Die RUB-Forscher nutzten Computersimulationen, sogenannte Ab-initio-Molekulardynamik-Simulationen, in denen sie nicht nur den Katalysator berücksichtigten, sondern auch 80 umgebende Wassermoleküle.


zusätzliche information

Ausführliche Presseinformation

Originalveröffentlichung: Niklas Siemer, Daniel Munoz-Santiburcio, Dominik Marx: Solvation-enhanced oxygen activation at gold/titania nanocatalysts, in: ACS Catalysis, 2020, DOI: 10.1021/acscatal.0c01326

Our scientific fields

Research Area I

Local Solvent Fluctuations in Heterogeneous Systems

 

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Research Area II

Solvent Control of Chemical Dynamics and Reactivity

 

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Research Area III

Solvation under Extreme Conditions

 

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Video: The solvent of life

Water. It’s the most abundant substance on Earth´s surface and in our bodies. But is water a passive spectator in the animated scene of bio-chemical reactions inside our cells? RESOLV scientists investigate the important role that water plays in the most diverse processes, bringing solvation science into the spotlight.

More videos from RESOLV 

Upcoming Events or browse all

Posted on
Water is gold – also in RUB’s Botanical Garden. © Elmar Weiler

Water molecules are gold for nanocatalysis

ACS Cat.: Some catalysts show remarkable high activity. Thanks to water.

Nanocatalysts made of gold nanoparticles dispersed on metal oxides are very promising for the industrial, selective oxidation of compounds, including alcohols, into valuable chemicals. They show high catalytic activity, particularly in aqueous solution. A team of researchers from RUB has been able to explain why: Water molecules play an active role in facilitating the oxygen dissociation needed for the oxidation reaction. The team of Professor Dominik Marx, Chair of Theoretical Chemistry, reports in the high-impact journal ACS Catalysis on 14 July 2020.

Mind the water molecules

In a 2018 study, the RUB group of Professor Dominik Marx, Chair of Theoretical Chemistry and Research Area coordinator in the Cluster of Excellence Ruhr Explores Solvation (RESOLV), already hinted that water molecules actively participate in the oxidative reaction: They enable a stepwise charge-transfer process that leads to oxygen dissociation in the aqueous phase. Now, the same team reveals that solvation facilitates the activation of molecular oxygen (O2) at the gold/metal oxide (Au/TiO2) nanocatalyst: In fact, water molecules help to decrease the energy barrier for the O2 dissociation. The researchers quantified that the solvent curbs the energy costs by 25% compared to the gas phase. “For the first time, it has been possible to gain insights into the quantitative impact of water on the critical O2 activation reaction for this nanocatalyst – and we also understood why,” says Dominik Marx.

The RUB researchers applied computer simulations, the so-called ab initio molecular dynamics simulations, which explicitly included not only the catalyst but also as many as 80 surrounding water molecules.


Additional information

Detailed Press Release

Original Publication: Niklas Siemer, Daniel Munoz-Santiburcio, Dominik Marx: Solvation-enhanced oxygen activation at gold/titania nanocatalysts, in: ACS Catalysis, 2020, DOI: 10.1021/acscatal.0c01326

 

--------------------------------------

Wasser ist Gold wert für die Nanokatalyse

ACS Cat.: Einige Katalysatoren zeigen eine erstaunlich hohe Aktivität – deutlich begünstigt durch Wasser.

Winzige Goldpartikel, die auf Metalloxide aufgebracht werden, könnten als Nanokatalysatoren für die chemische Industrie dienen – zum Beispiel für die Umwandlung von Alkoholen mittels Oxidation in wertvolle Chemikalien. Die Gold-Metalloxid-Verbindungen zeigen eine hohe katalytische Aktivität, vor allem, wenn sie in wässrigen Lösungen vorliegen. Ein Forschungsteam der RUB hat nun eine Erklärung dafür gefunden: Die Wassermoleküle helfen aktiv bei der Spaltung von Sauerstoff mit, welche für die Oxidationsreaktion erforderlich ist. Das Team um Prof. Dr. Dominik Marx vom Lehrstuhl für Theoretische Chemie berichtet die Ergebnisse in der Zeitschrift „ACS Catalysis“, online veröffentlicht am 14. Juli 2020.

Wasser reduziert Energiebarriere

Bereits 2018 hatte das Team von Dominik Marx, Forschungsbereichskoordinator im Exzellenzcluster Ruhr Explores Solvation (RESOLV), Hinweise darauf gefunden, dass Wassermoleküle aktiv an der Sauerstoffspaltung beteiligt sein könnten. Nun zeigte das Team, dass Lösungsprozesse den molekularen Sauerstoff an der Oberfläche des Nanokatalysators zusätzlich aktivieren. Die Wassermoleküle helfen somit, die Energiebarriere für die Sauerstoffspaltung zu reduzieren. Die Forscher berechneten, dass der Energiebedarf für die Reaktion in wässriger Lösung 25 Prozent geringer ist als in der Gasphase.

Die RUB-Forscher nutzten Computersimulationen, sogenannte Ab-initio-Molekulardynamik-Simulationen, in denen sie nicht nur den Katalysator berücksichtigten, sondern auch 80 umgebende Wassermoleküle.


zusätzliche information

Ausführliche Presseinformation

Originalveröffentlichung: Niklas Siemer, Daniel Munoz-Santiburcio, Dominik Marx: Solvation-enhanced oxygen activation at gold/titania nanocatalysts, in: ACS Catalysis, 2020, DOI: 10.1021/acscatal.0c01326

igss summer school

The integrated Graduate School Solvation Science hosts an annual Summer School at the Ruhr University Bochum. The school always takes place during Whitsuntide and is an integral part of the GSS students' training during their doctoral studies. The seventh Summer School Solvation Science has been cancelled for 2020 due to the current pandemic caused by the virus COVID-19. Stay tuned for updates!

International speakers, suggested by the students themselves, are invited to give keynote talks on their research in the field of Solvation Science. The Advanced Laboratory Modules give the students an excellent opportunity to learn new and interesting experimental and theoretical techniques within a specific research topic of their own choice. 

Find out more

Publications highlight

R Schwan, C Qu, D Mani, N Pal L van der Meer, B Redlich, C Leforestier, JM Bowman, G Schwaab, M Havenith
Observation of the Low-Frequency Spectrum of the Water Dimer as a Sensitive Test of the Water Dimer Potential and Dipole Moment Surfaces, Angew. Chem. 58 (2019), DOI: 10.1002/anie.201906048

N Berger, LJB Wollny, P Sokkar, S Mittal, J Mieres-Perez, R Stoll, W Sander, E Sanchez-Garcia
Solvent-Enhanced Conformational Flexibility of Cyclic Tetrapeptides, ChemPhysChem 20 (2019), 1664, DOI: 10.1002/cphc.201900345

A El Arrassi, Z Liu, MV Evers, N Blanc, G Bendt, S Saddeler, D Tetzlaff, D Pohl, C Damm, S Schulz, K Tschulik
Intrinsic Activity of Oxygen Evolution Catalysts Probed at Single CoFe2O4 Nanoparticles, J. Am. Chem. Soc. 141 (2019), 9197, DOI: 10.1021/jacs.9b04516

D Mani, R Pérez de Tudela, R Schwan, N Pal, S Körning, H Forbert, B Redlich, AFG van der Meer, G Schwaab, D Marx, M Havenith
Acid solvation versus dissociation at “stardust conditions”: Reaction sequence matters, Science Advances  5 (2019), eaav8179, DOI: 10.1126/sciadv.aav8179

CAJ Hutter, MH Timachi, LM Hürlimann, I Zimmermann, P Egloff, H Göddeke, S Kucher, S Štefanic, M Karttunen, LV Schäfer, E Bordignon, MA Seeger
The extracellular gate shapes the energy profile of an ABC exporter, Nature Communications 10 (2019), 2260, DOI: 10.1038/s41467-019-09892-6

 

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