Periodic Reporting for period 1 - NEC2-MABs (Ni-rich, Engineered Cu-ZrN@NiCo LDHs Bifunctional Cathode Catalyst for High-Performance Metal-Air Batteries.)
Berichtszeitraum: 2023-08-01 bis 2025-07-31
This report outlines the planned research objectives, methodologies, training on transferable skills, publication plans, and project activities aimed at different target audiences. The primary focus is on the synthesis of transition metal-based advanced composite materials with engineered morphologies to enhance oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) performances, as well as nitrate to ammonia conversion catalysis in metal-air batteries.
The Research Objectives were
The research aims to systematically achieve the following objectives by combining synthesis, material characterization, and electrochemical studies:
1. Synthesis of Transition Metal-Based Advanced Composite Materials: Specifically, the synthesis of CuZrN@NiCo layered double hydroxides (LDHs) with varying components ratios.
2. Vertical Growth of LDHs on 1D CuZrN Nanospheres: Utilizing the coprecipitation method to achieve vertically aligned LDHs on nanospheres.
3. Preparation of Core-Shell Nanomaterials: Employing hydrothermal treatment to develop core-shell morphologies of the synthesized materials.
4. Electrocatalytic Performance Evaluation: Assessing the synthesized materials using cyclic voltammetry techniques to determine their electrocatalytic efficiency.
5. Establishment of a Lab Model for Zn-Air Aqueous Battery: Developing a laboratory-scale model to evaluate the energy storage performance.
6. Material Characterization and Studies: Designing work packages that include material characterization techniques such as X-ray Photoelectron Spectroscopy (XPS), Fourier-Transform Infrared Spectroscopy (FTIR), Powder X-ray Diffraction (PXRD), Atomic Force Microscopy (AFM), Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM), Energy-Dispersive X-ray Spectroscopy (EDAX), and cyclic voltammetry (CV) studies.
7. Synthesis Materials with High Metal Content: Focusing on the synthesis of CuZrN related compounds; LDHs with elevated nickel content to enhance catalytic activity.
8. Fabrication for Electrode Catalysis: Preparing the synthesized materials for application in cathode catalysis within Zn-air batteries.
9. Demonstration of Energy Storage Performance: Utilizing CV studies to demonstrate the energy storage capabilities of the developed materials.
The Research Objectives were
The research aims to systematically achieve the following objectives by combining synthesis, material characterization, and electrochemical studies:
1. Synthesis of Transition Metal-Based Advanced Composite Materials: Specifically, the synthesis of CuZrN@NiCo layered double hydroxides (LDHs) with varying components ratios.
2. Vertical Growth of LDHs on 1D CuZrN Nanospheres: Utilizing the coprecipitation method to achieve vertically aligned LDHs on nanospheres.
3. Preparation of Core-Shell Nanomaterials: Employing hydrothermal treatment to develop core-shell morphologies of the synthesized materials.
4. Electrocatalytic Performance Evaluation: Assessing the synthesized materials using cyclic voltammetry techniques to determine their electrocatalytic efficiency.
5. Establishment of a Lab Model for Zn-Air Aqueous Battery: Developing a laboratory-scale model to evaluate the energy storage performance.
6. Material Characterization and Studies: Designing work packages that include material characterization techniques such as X-ray Photoelectron Spectroscopy (XPS), Fourier-Transform Infrared Spectroscopy (FTIR), Powder X-ray Diffraction (PXRD), Atomic Force Microscopy (AFM), Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM), Energy-Dispersive X-ray Spectroscopy (EDAX), and cyclic voltammetry (CV) studies.
7. Synthesis Materials with High Metal Content: Focusing on the synthesis of CuZrN related compounds; LDHs with elevated nickel content to enhance catalytic activity.
8. Fabrication for Electrode Catalysis: Preparing the synthesized materials for application in cathode catalysis within Zn-air batteries.
9. Demonstration of Energy Storage Performance: Utilizing CV studies to demonstrate the energy storage capabilities of the developed materials.
Since the inception of the NEC2-MABs project, significant progress has been made toward achieving the outlined research objectives and work packages. The initial phase focused on Work Package 2 (WP2), involving the computational study and selection of high-entropy alloy (HEA) nanomaterials (NMs) for enhanced electrocatalysis (Research Objective 2, RO2). Density Functional Theory (DFT) calculations were performed to predict the catalytic activity of various transition metal-based HEAs. This led to the identification of Ni-rich CuZrN@NiCo layered double hydroxides (LDHs) as promising candidates due to their synergistic effects and high active surface areas.
Building on these findings, Work Package 3 (WP3) centered on the experimental synthesis of the selected materials (RO3). A co-precipitation method was employed to vertically grow NiCo LDHs on one-dimensional CuZrN nanowires (NWs), optimizing the Ni ratio to enhance catalytic performance. Hydrothermal treatment facilitated the transformation of NWs into porous nanotubes (NTs) through nanoscale Galvanic Replacement (GR) and bulk diffusion phenomena. This process resulted in engineered 3D nanoarchitectures with increased active surface areas and improved electron transport pathways.
In Work Package 4 (WP4), the focus shifted to structural and morphological evaluations to tune the functional characteristics of the synthesized NMs (RO4). Advanced characterization techniques such as X-ray Diffraction (XRD), X-ray Photoelectron Spectroscopy (XPS), Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM), and Energy-Dispersive X-ray Spectroscopy (EDAX) were utilized. These analyses confirmed the successful synthesis of the targeted nanocomposite materials and provided detailed insights into their structural integrity, morphology, and elemental composition.
Electrochemical evaluations using cyclic voltammetry (CV) techniques demonstrated that the Ni-rich CuZrN@NiCo LDHs exhibit superior Oxygen Evolution Reaction (OER) and Oxygen Reduction Reaction (ORR) performances compared to benchmark catalysts like RuO2 and Pt/C in alkaline media. The materials showed lower overpotentials and higher current densities, indicating enhanced catalytic activity and stability—addressing key scientific challenges outlined in the project.
Preliminary steps were also taken in Work Package 5 (WP5) to fabricate cathode materials for application in Zn-air batteries (RO5). A laboratory-scale model was established to evaluate energy storage performance, with initial tests showing promising results in terms of open-circuit voltage stability and energy density.
Throughout this period, the researcher engaged in extensive training activities, aligning with Work Package 1 (WP1) and Research Objective 1 (RO1). New practical skills were acquired in advanced material synthesis, electron microscopy, and X-ray diffraction techniques. Training on project management, communication, and leadership skills was also undertaken, enhancing the capacity to lead independent research initiatives.
In summary, the project has successfully advanced through the initial work packages, achieving significant milestones in the synthesis, characterization, and performance evaluation of advanced nanocomposite materials for cathode catalysis in metal-air batteries. The main results achieved so far lay a solid foundation for the subsequent phases of the project and contribute to advancements in energy storage technologies.
Building on these findings, Work Package 3 (WP3) centered on the experimental synthesis of the selected materials (RO3). A co-precipitation method was employed to vertically grow NiCo LDHs on one-dimensional CuZrN nanowires (NWs), optimizing the Ni ratio to enhance catalytic performance. Hydrothermal treatment facilitated the transformation of NWs into porous nanotubes (NTs) through nanoscale Galvanic Replacement (GR) and bulk diffusion phenomena. This process resulted in engineered 3D nanoarchitectures with increased active surface areas and improved electron transport pathways.
In Work Package 4 (WP4), the focus shifted to structural and morphological evaluations to tune the functional characteristics of the synthesized NMs (RO4). Advanced characterization techniques such as X-ray Diffraction (XRD), X-ray Photoelectron Spectroscopy (XPS), Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM), and Energy-Dispersive X-ray Spectroscopy (EDAX) were utilized. These analyses confirmed the successful synthesis of the targeted nanocomposite materials and provided detailed insights into their structural integrity, morphology, and elemental composition.
Electrochemical evaluations using cyclic voltammetry (CV) techniques demonstrated that the Ni-rich CuZrN@NiCo LDHs exhibit superior Oxygen Evolution Reaction (OER) and Oxygen Reduction Reaction (ORR) performances compared to benchmark catalysts like RuO2 and Pt/C in alkaline media. The materials showed lower overpotentials and higher current densities, indicating enhanced catalytic activity and stability—addressing key scientific challenges outlined in the project.
Preliminary steps were also taken in Work Package 5 (WP5) to fabricate cathode materials for application in Zn-air batteries (RO5). A laboratory-scale model was established to evaluate energy storage performance, with initial tests showing promising results in terms of open-circuit voltage stability and energy density.
Throughout this period, the researcher engaged in extensive training activities, aligning with Work Package 1 (WP1) and Research Objective 1 (RO1). New practical skills were acquired in advanced material synthesis, electron microscopy, and X-ray diffraction techniques. Training on project management, communication, and leadership skills was also undertaken, enhancing the capacity to lead independent research initiatives.
In summary, the project has successfully advanced through the initial work packages, achieving significant milestones in the synthesis, characterization, and performance evaluation of advanced nanocomposite materials for cathode catalysis in metal-air batteries. The main results achieved so far lay a solid foundation for the subsequent phases of the project and contribute to advancements in energy storage technologies.
The NEC2-MABs project has made significant strides in advancing cathode catalysis for metal-air batteries (MABs), surpassing current state-of-the-art technologies. Traditional MABs face challenges such as reliance on precious metal catalysts like platinum (Pt) and ruthenium dioxide (RuO2), which are costly and have limited availability. Moreover, existing catalysts often exhibit insufficient catalytic activity for the oxygen evolution reaction (OER) and oxygen reduction reaction (ORR), hindering the practical implementation of MABs. This project has progressed beyond these limitations by synthesizing Ni-rich CuZrN@NiCo layered double hydroxides (LDHs) with engineered three-dimensional (3D) nanoarchitectures. Utilizing innovative methods such as vertical growth of LDHs on one-dimensional CuZrN nanowires and transforming them into porous nanotubes via hydrothermal treatment, the research has achieved materials with significantly increased active surface areas and enhanced electron transport pathways. These engineered morphologies lead to a higher density of active catalytic sites and improved mass transfer capabilities. Electrochemical evaluations have demonstrated that these novel nanocomposite materials exhibit superior OER and ORR performances compared to benchmark catalysts. The reduced overpotentials and increased current densities confirm enhanced catalytic activity and stability, marking a substantial advancement over existing technologies.
Expected Results Until the End of the Project are as follows: By the project's conclusion, further optimization of the material synthesis processes and morphological characteristics is anticipated. Comprehensive electrochemical evaluations, including long-term stability and durability tests, will be conducted to validate the materials' performance in practical applications. The project aims to fabricate and test laboratory-scale Zn-air batteries incorporating the developed cathode catalysts, assessing their energy density, power output, and cycling stability.
Additionally, the project plans to disseminate the findings through publications in high-impact scientific journals and presentations at international conferences. Intellectual property opportunities will be explored, potentially leading to patent applications and laying the groundwork for commercialization and industrial partnerships.
Potential Socio-Economic Impact: The development of low-cost, efficient, and durable cathode catalysts addresses a critical barrier in the commercialization of MABs. By reducing reliance on scarce and expensive precious metals, the project contributes to lowering the overall cost of energy storage solutions. This advancement has the potential to accelerate the adoption of MABs in various sectors, including portable electronics, electric vehicles, and grid energy storage, fostering economic growth and creating new market opportunities.
Wider Societal Implications: From a societal perspective, the project's outcomes support the transition towards sustainable and renewable energy systems. Improved energy storage technologies are essential for integrating intermittent renewable energy sources like wind and solar into the energy grid. The enhanced performance of MABs can lead to more reliable and efficient energy storage solutions, contributing to energy security and reducing carbon emissions. Furthermore, the project's emphasis on training and knowledge transfer cultivates a skilled workforce equipped to tackle future energy challenges, promoting innovation and scientific advancement.
Expected Results Until the End of the Project are as follows: By the project's conclusion, further optimization of the material synthesis processes and morphological characteristics is anticipated. Comprehensive electrochemical evaluations, including long-term stability and durability tests, will be conducted to validate the materials' performance in practical applications. The project aims to fabricate and test laboratory-scale Zn-air batteries incorporating the developed cathode catalysts, assessing their energy density, power output, and cycling stability.
Additionally, the project plans to disseminate the findings through publications in high-impact scientific journals and presentations at international conferences. Intellectual property opportunities will be explored, potentially leading to patent applications and laying the groundwork for commercialization and industrial partnerships.
Potential Socio-Economic Impact: The development of low-cost, efficient, and durable cathode catalysts addresses a critical barrier in the commercialization of MABs. By reducing reliance on scarce and expensive precious metals, the project contributes to lowering the overall cost of energy storage solutions. This advancement has the potential to accelerate the adoption of MABs in various sectors, including portable electronics, electric vehicles, and grid energy storage, fostering economic growth and creating new market opportunities.
Wider Societal Implications: From a societal perspective, the project's outcomes support the transition towards sustainable and renewable energy systems. Improved energy storage technologies are essential for integrating intermittent renewable energy sources like wind and solar into the energy grid. The enhanced performance of MABs can lead to more reliable and efficient energy storage solutions, contributing to energy security and reducing carbon emissions. Furthermore, the project's emphasis on training and knowledge transfer cultivates a skilled workforce equipped to tackle future energy challenges, promoting innovation and scientific advancement.