- document
-
Liu, Haozhe (author)The high theoretical volumetric capacity, abundance of magnesium in the earth’s crust, and the relatively good safety features of Mg metal, have drawn great attention to developing Magnesium batteries as a follow-up to the success of Li-ion battery technology. However, the magnesium metal is incompatible with most electrolyte solvents and salts,...master thesis 2023
- document
-
Lagerweij, Jelle (author)In this work, the added value of machine learning (ML) molecular force fields (FF) for the community of molecular simulations is showcased by successfully calculating transport properties of aqueous potassium hydroxide (KOH (aq)). Classical FFs use relatively simple interatomic potentials to simulate the nano scale. These simulations can predict...master thesis 2023
- document
-
Zhang, Yixuan (author)The lack of a decent solid-state ionic conductor has hindered the large-scale application of solid-state batteries, which are considered to be the potential game changer for energy transition. The recently reported K doping CsPbF3 material system has shed light on this problem. This material possesses high ionic conductivity and a wide...master thesis 2023
- document
-
Sajeev Kumar, A. (author), Moura de Salles Pupo, M. (author), Petrov, K.V. (author), Ramdin, M. (author), van Ommen, J.R. (author), de Jong, W. (author), Kortlever, R. (author)Aqueous electrolytes used in CO2 electroreduction typically have a CO2 solubility of around 34 mM under ambient conditions, contributing to mass transfer limitations in the system. Non-aqueous electrolytes exhibit higher CO2 solubility (by 5–8-fold) and also provide possibilities to suppress the undesired hydrogen evolution reaction (HER). On...journal article 2023
- document
-
van der Maas, E.L. (author)Batteries are an important aspect of sustainable energy technologies, as they can be used either for the storage of electric energy for the grid or for the electrification of the transport fleet, making these sectors less reliant on fossil fuels (chapter 1). The Li-ion battery has revolutionized the world in many ways, enabling portable electric...doctoral thesis 2023
- document
-
Döpke, M.F. (author)Experimentally investigating the nanoscale behavior at oxide-electrolyte interfaces has proven to be extremely challenging. Molecular Dynamics (MD) simulations have arisen as a potential computational alternative to gain atomic level insights at these interfaces. But how accurately do these simulations represent the physics and chemistry at the...doctoral thesis 2023
- document
-
Landgraf, V.R. (author), Famprikis, T. (author), de Leeuw, Joris (author), Bannenberg, L.J. (author), Ganapathy, S. (author), Wagemaker, M. (author)Most highly Li-conducting solid electrolytes (σ<sub>RT</sub> > 10<sup>-3</sup> S cm<sup>-1</sup>) are unstable against lithium-metal and suffer from detrimental solid-electrolyte decomposition at the lithium-metal/solid-electrolyte interface. Solid electrolytes that are stable against lithium metal thus offer a direct route to stabilize...journal article 2023
- document
-
Mandalahalli, M.M. (author), Lif, Johan (author), Mudde, R.F. (author), Portela, L. (author)In this work, the rise characteristics of a single H<sub>2</sub> bubble, in the ellipsoidal regime, in (i) water, (ii) single electrolyte (2 M, 4.5 M NaCl) solution and (iii) various concentrations of electrolyte mixture (up to 6.4 M of 1:5 weight fraction NaCl-NaClO<sub>3</sub>), have been studied, at temperatures up to 80°C. Our results...journal article 2023
- document
-
Wang, Q. (author), Zhao, C. (author), Yao, Zhenpeng (author), Wang, Jianlin (author), Wu, Fangting (author), Kumar, Sai Govind Hari (author), Ganapathy, S. (author), Eustace, S.J. (author), Wagemaker, M. (author)Developing liquid electrolytes with higher kinetics and enhanced interphase stability is one of the key challenges for lithium batteries. However, the poor solubility of lithium salts in solvents sets constraints that compromises the electrolyte properties. Here, it is shown that introducing multiple salts to form a high-entropy solution,...journal article 2023
- document
-
Guo, R. (author), Chen, C. (author), Bannenberg, L.J. (author), Wang, H. (author), Liu, Haozhe (author), Yu, Minghao (author), Sofer, Zdenek (author), Lei, Zhibin (author), Wang, Xuehang (author)Limited Li resources, high cost, and safety risks of using organic electrolytes have stimulated a strong motivation to develop non-Li aqueous batteries. Aqueous Zn-ion storage (ZIS) devices offer low-cost and high-safety solutions. However, their practical applications are at the moment restricted by their short cycle life arising mainly from...review 2023
- document
-
Bunea, S. (author), Coppens, Manoj (author), Urakawa, A. (author)The continuous electrochemical NO reduction to ammonia in a PEM cell was investigated in this work. We used a ruthenium-based catalyst at the cathode and an iridium oxide catalyst at the anode. The highest ammonia faradaic efficiency was observed at 1.9 V cell voltage. Adjusting the NO flow allowed to achieve 97% NO conversion and 93% ammonia...journal article 2023
- document
-
Schwietert, T.K. (author)Solid-state batteries have the promise to outperformconventional Li-ion batteries. Solid electrolytes are safer, as the solids used are generally not combustible, and especially if Li-metal anodes are enabled, higher energy densities can be obtained. However, solidstate batteries still have challenges to overcome. In this thesis the origins of...doctoral thesis 2022
- document
-
Hermans, Sebastiaan (author)In this thesis, a proof of concept was established for the use of a novel coupled QM-MD approach to modelling metallic (copper) electrode-electrolyte interfaces. SCC-DFTB calculations of the instantaneous electronic structure of a copper electrode were coupled to a classical MD simulation of an electrode-electrolyte interface. The applied QM-MD...master thesis 2022
- document
-
Bunea, S. (author)Polymer electrolyte membrane (PEM) water electrolysis represents a promising technology for the sustainable, emission-free hydrogen production from renewable energy, as it is able to quickly respond to fluctuations in the renewable energy supply. Nevertheless, natural scarcity of iridium, which is used as catalyst for the anodic water oxidation...doctoral thesis 2022
- document
-
Alders, Tim (author)Recent studies on various solid-state electrolytes showed that while improvements to the ionic conductivity are progressing swiftly, the understanding of the fundamental conduction mechanism is still lagging behind. We attempt to improve this understanding by providing a more complete overview of how different static (structural) and dynamic ...master thesis 2022
- document
-
Wu, Yuming (author), Garg, Sahil (author), Li, Mengran (author), Idros, Mohamed Nazmi (author), Li, Zhiheng (author), Lin, Rijia (author), Chen, Jian (author), Wang, Guoxiong (author), Rufford, Thomas E. (author)Understanding the relationship between gas diffusion electrode (GDE) structures and the performance of electrochemical CO<sub>2</sub> reduction reaction (CO<sub>2</sub>RR) is crucial to developing industrial-scale technologies to convert CO<sub>2</sub> to valuable products. We studied how the microporous layer (MPL) on GDE's coated with...journal article 2022
- document
-
Zhao, Shuangshuang (author), Wang, Xuehang (author), Kurra, Narendra (author), Gogotsi, Yury (author), Gao, Yu (author)Two-dimensional (2D) niobium carbide, Nb<sub>4</sub>C<sub>3</sub>T<sub>x</sub> (T<sub>x</sub>: O, OH, and F), a representative member of the 43 MXene structural motif, has shown promising electrochemical performance in acidic electrolytes. The capacitive performance of Nb<sub>4</sub>C<sub>3</sub>T<sub>x</sub> in neutral aqueous electrolytes...journal article 2022
- document
-
San, H. (author), Paresoglou, M. (author), Minneboo, M.B. (author), van Hengel, I.A.J. (author), Yilmaz, A. (author), Gonzalez Garcia, Y. (author), Fluit, Ad C. (author), Hagedoorn, P.L. (author), Fratila-Apachitei, E.L. (author), Apachitei, I. (author), Zadpoor, A.A. (author)Nanoparticles (NPs) have high multifunctional potential to simultaneously enhance implant osseointegration and prevent infections caused by antibiotic-resistant bacteria. Here, we present the first report on using plasma electrolytic oxidation (PEO) to incorporate different combinations of reduced graphene oxide (rGO) and silver (Ag) NPs on...journal article 2022
- document
-
Srinivasan, Sudharsan (author), van den Akker, H.E.A. (author), Shardt, Orest (author)The understanding of the rheological behaviour of suspensions in aqueous electrolytes is necessary for the optimal design of hydraulic transport lines. In these applications, particle size is at least 10 micron, and the particle Reynolds number, Re<sub>p</sub>, is finite: O(10<sup>−1</sup>). Although there are some experimental and numerical...journal article 2022
- document
-
Liang, Jianwen (author), van der Maas, E.L. (author), Luo, Jing (author), Li, Xiaona (author), Chen, Ning (author), Adair, Keegan R. (author), Li, Weihan (author), Li, Junjie (author), Hu, Yongfeng (author), Liu, Jue (author), Zhang, Li (author), Zhao, W. (author), Parnell, S.R. (author), Ganapathy, S. (author), Wagemaker, M. (author)Understanding the relationship between structure, ionic conductivity, and synthesis is the key to the development of superionic conductors. Here, a series of Li<sub>3-3</sub><sub>x</sub>M<sub>1+</sub><sub>x</sub>Cl<sub>6</sub> (−0.14 < x ≤ 0.5, M = Tb, Dy, Ho, Y, Er, Tm) solid electrolytes with orthorhombic and trigonal structures are...journal article 2022