Date:                                       2022-06-01 Level:                                      Bachelor thesis in Business Administration, 15 cr Institution:                              School of Business, Society and Engineering, Mälardalen University Authors:                                 João Vitor Barroso França          Karl Isaksson            Alex Josefsson                                                 (99/04/01)                                (97/10/31)                 (95/09/08) Title:                                        LITHIUM-ION BATTERIES FROM A CLEAN ENERGY PERSPECTIVE: The Case of Northvolt Supervisor:                              Konstantin Lampou Keywords:                               Northvolt, Lithium-Ion Battery, SDG, Sustainability, Clean energy Research question:                  How does a company in the Lithium-Ion Battery Industry contribute to affordable and clean energy for all? The case of Northvolt Purpose:                                  The purpose of this study aims at understanding what values and implementations Northvolt has in its business to integrate targets from the UN’s SDG number seven. Because of the complexity of the research area, the authors adopted an extensive literature review on articles concerning corporate social responsibility (CSR), sustainable development (SD), and Lithium-Ion batteries. Method:                                   This research was conducted through interpretive, inductive, and exploratory logic, together with a qualitative case-study research approach, where six different managers from Northvolt were interviewed, and secondary data related to Northvolt, and the Lithium-Ion battery Industry was collected and analyzed. Conclusion:                             The authors concluded that, with a vertically integrated business model, Northvolt is a disruptor in the LIB industry. Additionally, the company focuses more extensively on reaching targets beyond the UN’s SDGs. As a booming market globally, challenges around sustainability, carbon footprint transparency, and reaching global demand for the products are extensive. Northvolt’s business revolves around innovation and the company has a strict sustainable approach in a very energy-intensive industry. Northvolt’s vision is to create the greenest battery on the market, which can indicate that CSR values overlap with business operations. Northvolt contributes to global goals by taking all elements of the supply chain into account.

<p>Repeatable methods for introducing minor defects in commercial Li-ion pouch cells were developed and different studies were conducted to compare the different signatures that would provide information regarding the factors that are most critical to detect the onset of internal short circuit for each defect test. The cells were subjected to overcharge, over-discharge, nail indentation and heating defect tests. After defect introduction, three different studies – cycling, thermal runaway, and self-discharge were performed on the cells. The overcharge defect case showed signatures in all three studies with the major cause of these signatures being lithium dendrite formation that led to reduction in capacity. The overcharge case was also unique in that it showed recovery in capacity due to lithium stripping process and had the highest temperature recorded which proves that it had the most dangerous defect case. The over-discharge case showed signs of possible copper deposition on the anode side which was evident by the presence of lithium plating in patches which could have been due the copper deposition locations becoming active sites for lithium plating. The nail indentation defect case showed signatures in the thermal runaway study by the shortest time it took to go into thermal runaway and in the self-discharge study which was shown by the inability of cells to stay at a stable voltage even at the most stable SOC. The heating defect test showed potential in that it was able to melt the separator near the pouch and that it had a lower temperature for onset of exotherm, but improvements need to be made to get more conclusive results for this defect case.</p>

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Thesis (Ph. D. (Physics)) -- University of Limpopo, 2020 / Titanium dioxide is among the most abundant materials and it has many of interesting physical and chemical properties (i.e., low density, high thermal and mechanical strength, insensitivity to corrosion) that make it a compound of choice for electrodes materials in energy storage. There are, however, limitations on the theoretical side to using the main electronic structure theories such as Hartree-Fock (HF) or density functional (DFT) especially for large periodic and molecular systems. The aim of the theses is to develop a new, widely transferable, self-consistent density functional tight binding SCC-DFTB data base of TiO2, which could be applied in energy storage anodes with a large number of atoms. The TiO2, LiTiO2 and NaTiO2 potentials were derived following the SCC-DFTB parameterization procedure; where the generalized gradient approximation (GGA) and local density approximation (LDA) exchange-correlation functional were employed yielding Slater-Koster DFTB parameters. The results of derived parameters were validated by being compared with those of the bulk rutile and brookite polymorphs. The structural lattice parameters and electronic properties, such as the bandgaps were well reproduced. Most mechanical properties were close to those in literature, except mainly for C33 which tended to be underestimated due to the choice of exchange-correlation functional. The variation of the bulk lattice parameter and volume with lithiation and sodiation were predicted and compared reasonably with those in literature. The newly derived DFTB parameters were further used to calculate bulk properties of the anatase, which is chemically more stable than other polymorphs. Generally, the accuracy of the lattice structural, electronic and mechanical properties of the bulk anantase were consistent with those of the rutile and brookite polymorphs. Furthermore, nanostructures consisting of a large number of atoms, which extend beyond the normal scope of the conventional DFT calculations, were modelled both structurally and electronically. Structural variations with lithiation was consistent with experimental and sodiation tends to enhance volume expansion than lithiation. Anatase TiO2 and LiTO2 nanotubes of various diameters were generated using NanoWrap builder within MedeA® software. Its outstanding resistance to expansion during lithium insertion and larger surface area make the TiO2 nanotube a promising candidate for rechargeable lithium ion batteries. The outcomes of this study will be beneficial to future development of TiO2 nanotube and other nanostructures. Lastly, our DFTB Slater-Koster potentials were applied to recently discovered trigonal bipyramid (TB), i.e. TiO2 (TB)-I and TiO2 (TB)-II polymorphs, which have enormous 1- D channels that provide suitable pathways for mobile ion transport. All structural, electronic properties were consistent with those in literature and all elastic properties agreed excellently with those that were calculated using DFT methods. Finally, the bulk structures of the two polymorphs, were lithiated and sodiated versions and electronic and structural properties were studied, together with the lithiated versions of associated nanostructures consisting of a large number of atoms. Generally, the TiO2 (TB)-I structure was found to be mechanically, energetically more stable and ductile than TiO2 (TB)-II. Hence, it will be beneficial to use TiO2 (TB)-I as an anode material for sodium ion batteries (SIB), due to its unique ductility and larger 1D channels. / National Research Fund (NRF), the Department of Science and Innovation (DSI) Energy Storage Research Development and Innovation initiative and Materials Modeling Centre

Tin dioxide (SnO2) is considered one of the most promising anode materials for Lithium ion batteries (LIBs), due to its large theoretical capacity and natural abundance. However, its low electronic/ionic conductivities, large volume change during lithiation/delithiation and agglomeration prevent it from further commercial applications. In this thesis, we investigate modified SnO2 as a high energy density anode material for LIBs. Specifically two approaches are presented to improve battery performances. Firstly, SnO2 electrochemical performances were improved by surface modification using Atomic Layer Deposition (ALD). Ultrathin Al2O3 or HfO2 were coated on SnO2 electrodes. It was found that electrochemical performances had been enhanced after ALD deposition. In a second approach, we implemented a layer-by-layer (LBL) assembled graphene/carbon-coated hollow SnO2 spheres as anode material for LIBs. Our results indicated that the LBL assembled electrodes had high reversible lithium storage capacities even at high current densities. These superior electrochemical performances are attributed to the enhanced electronic conductivity and effective lithium diffusion, because of the interconnected graphene/carbon networks among nanoparticles of the hollow SnO2 spheres.

With a growing demand for electrical energy storage materials, lignin-derived carbon materials have received increasing attention in recent years. As a highly abundant renewable carbon source, lignin can be converted to a variety of advanced carbon materials with tailorable chemical, structural, mechanical and electrochemical properties through thermochemical conversion (e.g. pyrolysis). However, the non-uniformity in lignin structure, composition, inter-unit linkages and reactivity of diverse lignin sources greatly influence lignin fractionation from plant biomass, the pyrolysis chemistry, and property of the resulting carbon materials. To introduce a better use of lignocellulosic biomass to biofuels and co-products, it is necessary to find novel ways to fractionate lignin and cellulose from the feedstock at high efficacy and low cost. Deep eutectic solvent (DES) was used to extract lignin from high lignin-content walnut and peach endocarps. Over 90% sugar yields were achieved during enzymatic hydrolysis of DES pretreated peach and walnut endocarps while lignins were extracted at high yields and purity. The molecular weights of the extracted lignin from DES pretreated endocarp biomass were significantly reduced. The native endocarp lignins were SGH type lignins with dominant G-unit. DES pretreatment decreased the S and H-unit which led to an increase in condensed G-units, which may contribute to a higher thermal stability of the isolated lignin. Lignin slow pyrolysis was investigated using a commercial pyrolysis–GC/MS system for the first time to link pyrolysis chemistry and carbon material properties. The overall product distributions, including volatiles and solid product were tracked at different heating rates (2, 20, 40 ℃/min) and different temperature regions (100-200, 200-300 and 300-600 ℃). Results demonstrate that changes in reaction chemistry as a factor of pyrolysis conditions led to changes in yield and properties of the resulting carbon materials. Physical and chemical properties of the resulting carbon material, such as porosity, chemical composition and surface functional groups were greatly affected by lignin slow pyrolysis temperature and heating rate. Lignin-derived activated carbons (AC) were synthesized from three different lignin sources: poplar, pine derived alkaline lignin and commercial kraft lignin under identical conditions. The poplar lignin-derived ACs exhibited a larger surface area and total mesopore volume than softwood lignin-derived AC, which contribute to a larger electrochemical capacitance over a range of scan rates. The presence of oxygen-containing functional groups in all lignin-derived ACs, which participated in redox reaction and thus contributed to an additional pseudo-capacitance. By delineating the carbonization and activation parameters, results from this study suggest that lignin structure and composition are important factors determining the pore structure and electrochemical properties of the derived carbon materials. A 3-dimensional, interconnected carbon/silicon nanoparticles composite synthesized from kraft lignin (KL) and silicon nanoparticles (Si NPs) is shown to have a high starting specific capacity of 2932 mAh/g and a retaining capacity of 1760 mAh/g after 100 cycles at 0.72 A/g as negative electrode in a half-cell lithium-ion battery (LIB) test. It was found the elemental Si and C of the C/Si NPs were most likely linked via Si-O-C rather than direct Si-C bond, a feature that helps to alleviate the mechanical degradation from Si volume change and assure a sound electronic and ionic conductivity for enhanced electrochemical performance. EGA-MS and HC-GC/MS analyses suggest that the interaction of the Si, O and C can be tailored by controlling pyrolysis conditions. This study systematically investigated the interconnecting aspects among lignin source, pyrolysis chemistry, characteristics of the derived carbon materials and electrochemical performance. Such knowledge on the processing-structure-function relationships serves as a basis for designing lignin-based carbon materials for electrochemical energy storage applications.

Traditional electric vehicle and stationary battery systems use series-connected battery packs that employ centralized battery management and power processing architecture. Though, these systems meet the basic safety and power requirements with a simple hard- ware structure, the approach results in a battery pack that is energy and power limited by weak cells throughout life and most importantly at end-of-life. The applications of battery systems can benefit significantly from modular, scalable battery systems capable of advanced cell balancing, efficient power processing, and cost gains via reuse beyond first-use application. The design of modular battery systems has unique requirements for the power electronics designer, including architecture, design, modeling and control of power processing converters, and battery balancing methods. This dissertation considers the requirements imposed by electric vehicle and stationary applications and presents design and control of modular battery systems to overcome challenges associated with conventional systems. The modular battery system uses cell or substring-level power converters to combine battery balancing and power processing functionality and opens the door to new opportunities for advanced cell balancing methods. This approach enables balancing control to act on cell-level information, reroute power around weaker cells in a string of cells to optimally deploy the stored energy, and achieve performance gains throughout the life of the battery pack. With this approach, the integrated balancing power converters can achieve system cost and efficiency gains by replacing or eliminating some of the conventional components inside battery systems such as passive balancing circuits and high-voltage, high-power converters. In addition, when coupled with life prognostic based cell balancing control, the modular system can extend the lifetime of a battery pack by up to 40%. The modular architecture design and control concepts developed in this dissertation can be applied to designs of large battery packs and improve battery pack performance, lifetime, size, and cost.