scholarly journals Dispersion forces drive water oxidation in molecular ruthenium catalysts

RSC Advances ◽  
2021 ◽  
Vol 11 (1) ◽  
pp. 425-432
Author(s):  
Mikael P. Johansson ◽  
Lukas Niederegger ◽  
Markus Rauhalahti ◽  
Corinna R. Hess ◽  
Ville R. I. Kaila
Keyword(s):  
Water Splitting ◽  
Water Oxidation ◽  
Rational Design ◽  
Sustainable Energy ◽  
Ruthenium Catalysts ◽  
Dispersion Forces ◽  
Energy Technology ◽  
Artificial Water

Rational design of artificial water-splitting catalysts is central for developing new sustainable energy technology.

Local Spin-State Tuning of Cobalt-Iron Selenide Nanoframes for Boosted Oxygen Evolution

2021 ◽  
Author(s):  
Bao Yu Xia ◽  
Jun-Ye Zhang ◽  
Ya Yan ◽  
Bingbao Mei ◽  
Ruijuan Qi ◽  
...  
Keyword(s):  
Water Splitting ◽  
Oxygen Evolution ◽  
Spin State ◽  
Water Oxidation ◽  
Rational Design ◽  
Sustainable Energy ◽  
Hydrogen Economy ◽  
Iron Selenide ◽  
Local Spin ◽  
Cobalt Iron

Hydrogen economy through water splitting is an indispensable cornerstone for sustainable energy society yet impeded by sluggish anodic water oxidation. Hence, rational design of highly efficient electrocatalysts for oxygen evolution...

scholarly journals Towards Hydrogen Energy: Progress on Catalysts for Water Splitting

2012 ◽  
Vol 65 (6) ◽  
pp. 577 ◽  
Author(s):  
Gerhard F. Swiegers ◽  
Douglas R. MacFarlane ◽  
David L. Officer ◽  
Amy Ballantyne ◽  
Danijel Boskovic ◽  
...  
Keyword(s):  
Photosystem Ii ◽  
Water Splitting ◽  
Water Oxidation ◽  
Research Council ◽  
Hydrogen Energy ◽  
Energy Technology ◽  
Production Of Hydrogen ◽  
Centre Of Excellence ◽  
The University ◽  
Reduction Catalysts

This article reviews some of the recent work by fellows and associates of the Australian Research Council Centre of Excellence for Electromaterials Science (ACES) at Monash University and the University of Wollongong, as well as their collaborators, in the field of water oxidation and reduction catalysts. This work is focussed on the production of hydrogen for a hydrogen-based energy technology. Topics include: (1) the role and apparent relevance of the cubane-like structure of the Photosystem II Water Oxidation Complex (PSII-WOC) in non-biological homogeneous and heterogeneous water oxidation catalysts, (2) light-activated conducting polymer catalysts for both water oxidation and reduction, and (3) porphyrin-based light harvesters and catalysts.

scholarly journals An Overview of Significant Achievements in Ruthenium-Based Molecular Water Oxidation Catalysis

Molecules ◽  
2019 ◽  
Vol 24 (3) ◽  
pp. 494 ◽  
Author(s):  
Jayneil Kamdar ◽  
Douglas Grotjahn
Keyword(s):  
Water Splitting ◽  
Water Oxidation ◽  
Fossil Fuels ◽  
Catalyst Activity ◽  
Ruthenium Catalysts ◽  
Hydrogen Gas ◽  
Oxidation Catalysis ◽  
Molecular Water ◽  
Environmental Consequences ◽  
Energy Options

Fossil fuels (coal, oil, natural gas) are becoming increasingly disfavored as long-term energy options due to concerns of scarcity and environmental consequences (e.g., release of anthropogenic CO2). Hydrogen gas, on the other hand, has gained popularity as a clean-burning fuel because the only byproduct from its reaction with O2 is H2O. In recent decades, hydrogen derived from water splitting has been a topic of extensive research. The bottleneck of the water splitting reaction is the difficult water oxidation step (2H2O → O2 + 4H+ + 4e−), which requires an effective and robust catalyst to overcome its high kinetic barrier. Research in water oxidation by molecular ruthenium catalysts enjoys a rich history spanning nearly 40 years. As the diversity of novel ligands continues to widen, the relationship between ligand geometry or electronics, and catalyst activity is undoubtedly becoming clearer. The present review highlights, in the authors’ opinion, some of the most impactful discoveries in the field and explores the evolution of ligand design that has led to the current state of the art.

scholarly journals Universal Scaling Relations for the Rational Design of Molecular Water Oxidation Catalysts with Near- Zero Overpotential

2019 ◽  
Author(s):  
Michael Craig ◽  
Gabriel Coulter ◽  
eoin dolan ◽  
Joaquín Soriano-López ◽  
Wolfgang Schmitt ◽  
...  
Keyword(s):  
Water Splitting ◽  
Water Oxidation ◽  
Rational Design ◽  
Heterogeneous Systems ◽  
Molecular Water ◽  
Scaling Relations ◽  
Linear Scaling ◽  
Scale Production ◽  
Production Of Hydrogen ◽  
Molecular Catalysts

<div><div><div><p>A major roadblock in realizing the large-scale production of hydrogen via electrochemical water splitting is the lack of cost-effective and highly efficient catalysts for the oxygen evolution reaction (OER). In this regard, computational research has driven important developments in the understanding and the design of heterogeneous OER catalysts by establishing linear scaling relations. These relations are of paramount importance since they drastically reduce the amount of time required to traverse the vast chemical search space of potential OER materials. In this work, we interrogate 17 of the most active molecular OER catalysts known to date based on different transition metals (M= Ru, Mn, Fe, Co, Ni, and Cu), and show that they obey the linear scaling relations established for metal oxides. This demonstrates that the conventional OER descriptor established for heterogeneous systems can also be applied to rapidly screen novel molecular catalysts. However, we find that this descriptor underestimates the activity of some of the most active OER complexes as it does not consider the additional one-electron oxidation that these undergo prior to O–O bond formation. Importantly, we show that this additional step allows certain molecular catalysts to circumvent the “overpotential wall” observed for heterogeneous systems (i.e. 370 mV), leading to an enhanced performance in agreement with experimental observations. To describe the activity of such highly active catalysts, we propose a new OER descriptor that opens up the possibility of designing molecular catalysts exhibiting zero theoretical overpotential. With all this knowledge, we establish the fundamental principles for the rational design of ideal OER catalysts to advance the development of water splitting technologies.</p></div></div></div>

scholarly journals Universal Scaling Relations for the Rational Design of Molecular Water Oxidation Catalysts with Near- Zero Overpotential

2019 ◽  
Author(s):  
Michael Craig ◽  
Gabriel Coulter ◽  
eoin dolan ◽  
Joaquín Soriano-López ◽  
Wolfgang Schmitt ◽  
...  
Keyword(s):  
Water Splitting ◽  
Water Oxidation ◽  
Rational Design ◽  
Heterogeneous Systems ◽  
Molecular Water ◽  
Scaling Relations ◽  
Linear Scaling ◽  
Scale Production ◽  
Production Of Hydrogen ◽  
Molecular Catalysts

<div><div><div><p>A major roadblock in realizing the large-scale production of hydrogen via electrochemical water splitting is the lack of cost-effective and highly efficient catalysts for the oxygen evolution reaction (OER). In this regard, computational research has driven important developments in the understanding and the design of heterogeneous OER catalysts by establishing linear scaling relations. These relations are of paramount importance since they drastically reduce the amount of time required to traverse the vast chemical search space of potential OER materials. In this work, we interrogate 17 of the most active molecular OER catalysts known to date based on different transition metals (M= Ru, Mn, Fe, Co, Ni, and Cu), and show that they obey the linear scaling relations established for metal oxides. This demonstrates that the conventional OER descriptor established for heterogeneous systems can also be applied to rapidly screen novel molecular catalysts. However, we find that this descriptor underestimates the activity of some of the most active OER complexes as it does not consider the additional one-electron oxidation that these undergo prior to O–O bond formation. Importantly, we show that this additional step allows certain molecular catalysts to circumvent the “overpotential wall” observed for heterogeneous systems (i.e. 370 mV), leading to an enhanced performance in agreement with experimental observations. To describe the activity of such highly active catalysts, we propose a new OER descriptor that opens up the possibility of designing molecular catalysts exhibiting zero theoretical overpotential. With all this knowledge, we establish the fundamental principles for the rational design of ideal OER catalysts to advance the development of water splitting technologies.</p></div></div></div>

Rational design of cobalt–chromium layered double hydroxide as a highly efficient electrocatalyst for water oxidation

2016 ◽  
Vol 4 (29) ◽  
pp. 11292-11298 ◽  
Author(s):  
Chenlong Dong ◽  
Xiaotao Yuan ◽  
Xin Wang ◽  
Xiangye Liu ◽  
Wujie Dong ◽  
...  
Keyword(s):  
Water Splitting ◽  
Oxygen Evolution ◽  
Layered Double Hydroxide ◽  
Water Oxidation ◽  
High Performance ◽  
Rational Design ◽  
Cost Effective ◽  
Cobalt Chromium ◽  
Electrochemical Water Splitting ◽  
Double Hydroxide

The design of a high performance, stable and cost-effective electrocatalyst for oxygen evolution is crucial for H2 production from electrochemical water splitting.

scholarly journals Universal Scaling Relations for the Rational Design of Molecular Water Oxidation Catalysts with Near- Zero Overpotential

2019 ◽  
Author(s):  
Michael Craig ◽  
Gabriel Coulter ◽  
eoin dolan ◽  
Joaquín Soriano-López ◽  
Wolfgang Schmitt ◽  
...  
Keyword(s):  
Water Splitting ◽  
Water Oxidation ◽  
Rational Design ◽  
Heterogeneous Systems ◽  
Molecular Water ◽  
Scaling Relations ◽  
Linear Scaling ◽  
Scale Production ◽  
Production Of Hydrogen ◽  
Molecular Catalysts

<div><div><div><p>A major roadblock in realizing the large-scale production of hydrogen via electrochemical water splitting is the lack of cost-effective and highly efficient catalysts for the oxygen evolution reaction (OER). In this regard, computational research has driven important developments in the understanding and the design of heterogeneous OER catalysts by establishing linear scaling relations. These relations are of paramount importance since they drastically reduce the amount of time required to traverse the vast chemical search space of potential OER materials. In this work, we interrogate 17 of the most active molecular OER catalysts known to date based on different transition metals (M= Ru, Mn, Fe, Co, Ni, and Cu), and show that they obey the linear scaling relations established for metal oxides. This demonstrates that the conventional OER descriptor established for heterogeneous systems can also be applied to rapidly screen novel molecular catalysts. However, we find that this descriptor underestimates the activity of some of the most active OER complexes as it does not consider the additional one-electron oxidation that these undergo prior to O–O bond formation. Importantly, we show that this additional step allows certain molecular catalysts to circumvent the “overpotential wall” observed for heterogeneous systems (i.e. 370 mV), leading to an enhanced performance in agreement with experimental observations. To describe the activity of such highly active catalysts, we propose a new OER descriptor that opens up the possibility of designing molecular catalysts exhibiting zero theoretical overpotential. With all this knowledge, we establish the fundamental principles for the rational design of ideal OER catalysts to advance the development of water splitting technologies.</p></div></div></div>

Electrochemical and photoelectrochemical water splitting with a CoOx catalyst prepared by flame assisted deposition

2020 ◽  
Vol 49 (3) ◽  
pp. 588-592 ◽  
Author(s):  
Fusheng Li ◽  
Ziqi Zhao ◽  
Hao Yang ◽  
Dinghua Zhou ◽  
Yilong Zhao ◽  
...  
Keyword(s):  
Cobalt Oxide ◽  
Water Splitting ◽  
Water Oxidation ◽  
Oxide Catalyst ◽  
Photoelectrochemical Water Splitting ◽  
Deposition Method ◽  
Photoelectrochemical Water Oxidation

A cobalt oxide catalyst prepared by a flame-assisted deposition method on the surface of FTO and hematite for electrochemical and photoelectrochemical water oxidation, respectively.

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